format-version: 1.2 data-version: releases/2023-02-14 subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: abnormal_slim "" subsetdef: absent_slim "" subsetdef: attribute_slim "" subsetdef: cell_quality "" subsetdef: EnvO-Lite-GSC "" subsetdef: gocheck_do_not_annotate "" subsetdef: gocheck_do_not_manually_annotate "" subsetdef: goslim_agr "" subsetdef: goslim_aspergillus "" subsetdef: goslim_candida "" subsetdef: goslim_chembl "" subsetdef: goslim_drosophila "" subsetdef: goslim_flybase_ribbon "" subsetdef: goslim_generic "" subsetdef: goslim_metagenomics "" subsetdef: goslim_mouse "" subsetdef: goslim_pir "" subsetdef: goslim_plant "" subsetdef: goslim_pombe "" subsetdef: goslim_synapse "" subsetdef: goslim_yeast "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_gp2term "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_ontology "" subsetdef: http://purl.obolibrary.org/obo/valid_for_gocam "" subsetdef: mpath_slim "" subsetdef: mrex "medically relevant exposure" subsetdef: NCIT:C101858 "" subsetdef: NCIT:C101859 "" subsetdef: NCIT:C102587 "" subsetdef: NCIT:C102905 "" subsetdef: NCIT:C103097 "" subsetdef: NCIT:C103330 "" subsetdef: NCIT:C105551 "" subsetdef: NCIT:C105763 "" subsetdef: NCIT:C111108 "" subsetdef: NCIT:C116977 "" subsetdef: NCIT:C118168 "" subsetdef: NCIT:C118169 "" subsetdef: NCIT:C118464 "" subsetdef: NCIT:C119016 "" subsetdef: NCIT:C128453 "" subsetdef: NCIT:C132298 "" subsetdef: NCIT:C132310 "" subsetdef: NCIT:C138188 "" subsetdef: NCIT:C138189 "" subsetdef: NCIT:C156952 "" subsetdef: NCIT:C156953 "" subsetdef: NCIT:C156954 "" subsetdef: NCIT:C157528 "" subsetdef: NCIT:C157529 "" subsetdef: NCIT:C157711 "" subsetdef: NCIT:C158035 "" subsetdef: NCIT:C158520 "" subsetdef: NCIT:C159501 "" subsetdef: NCIT:C159502 "" subsetdef: NCIT:C159503 "" subsetdef: NCIT:C165451 "" subsetdef: NCIT:C166373 "" subsetdef: NCIT:C167409 "" subsetdef: NCIT:C173072 "" subsetdef: NCIT:C173231 "" subsetdef: NCIT:C173232 "" subsetdef: NCIT:C174019 "" subsetdef: NCIT:C174237 "" subsetdef: NCIT:C174261 "" subsetdef: NCIT:C175324 "" subsetdef: NCIT:C175517 "" subsetdef: NCIT:C177383 "" subsetdef: NCIT:C177393 "" subsetdef: NCIT:C177394 "" subsetdef: NCIT:C177407 "" subsetdef: NCIT:C177536 "" subsetdef: NCIT:C177537 "" subsetdef: NCIT:C178115 "" subsetdef: NCIT:C178121 "" subsetdef: NCIT:C178127 "" subsetdef: NCIT:C178718 "" subsetdef: NCIT:C179026 "" subsetdef: NCIT:C183102 "" subsetdef: NCIT:C186316 "" subsetdef: NCIT:C186317 "" subsetdef: NCIT:C186320 "" subsetdef: NCIT:C186325 "" subsetdef: NCIT:C186333 "" subsetdef: NCIT:C186341 "" subsetdef: NCIT:C186342 "" subsetdef: NCIT:C19752 "" subsetdef: NCIT:C54447 "" subsetdef: NCIT:C54450 "" subsetdef: NCIT:C54585 "" subsetdef: NCIT:C61410 "" subsetdef: NCIT:C62596 "" subsetdef: NCIT:C66830 "" subsetdef: NCIT:C67497 "" subsetdef: NCIT:C70989 "" subsetdef: NCIT:C74559 "" subsetdef: NCIT:C77526 "" subsetdef: NCIT:C85492 "" subsetdef: NCIT:C89506 "" subsetdef: NCIT:C90017 "" subsetdef: NCIT:C90259 "" subsetdef: NCIT:C96388 "" subsetdef: NCIT:C99147 "" subsetdef: prokaryote_subset "" subsetdef: reference "" subsetdef: relational_slim "" subsetdef: ro-eco "" subsetdef: RO:0002259 "" subsetdef: scalar_slim "" subsetdef: TraitNet "" subsetdef: ubprop:upper_level "" subsetdef: upper_level "" subsetdef: value_slim "" synonymtypedef: blast_name "" synonymtypedef: BRAND_NAME "" synonymtypedef: common_name "" synonymtypedef: equivalent_name "" synonymtypedef: genbank_common_name "" synonymtypedef: in_part "" synonymtypedef: INN "" synonymtypedef: IUPAC_NAME "" synonymtypedef: Japanese "" synonymtypedef: Plural "" synonymtypedef: PRO-short-label "" synonymtypedef: scientific_name "" synonymtypedef: Spanish "" synonymtypedef: synonym "" ontology: ecto property_value: dc-description "ECTO describes exposures to experimental treatments of plants and model organisms (e.g. exposures to modification of diet, lighting levels, temperature); exposures of humans or any other organisms to stressors through a variety of routes, for purposes of public health, environmental monitoring etc, stimuli, natural and experimental, any kind of environmental condition or change in condition that can be experienced by an organism or population of organisms on earth. The scope is very general and can include for example plant treatment regimens, as well as human clinical exposures (although these may better be handled by a more specialized ontology)." xsd:string property_value: dc-title "Environment Exposure Ontology" xsd:string property_value: dcterms-license https://creativecommons.org/publicdomain/zero/1.0/ property_value: has_ontology_root_term http://purl.obolibrary.org/obo/ExO_0000002 xsd:string property_value: owl:versionInfo "2023-02-14" xsd:string [Term] id: BFO:0000001 name: entity property_value: BFO:0000179 "entity" xsd:string property_value: BFO:0000180 "Entity" xsd:string property_value: IAO:0000112 "Julius Caesar" xsd:string property_value: IAO:0000112 "the Second World War" xsd:string property_value: IAO:0000112 "Verdi’s Requiem" xsd:string property_value: IAO:0000112 "your body mass index" xsd:string property_value: IAO:0000116 "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81" xsd:string property_value: IAO:0000116 "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000004", comment="per discussion with Barry Smith", http://www.w3.org/2000/01/rdf-schema#seeAlso="http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"} property_value: IAO:0000412 http://purl.obolibrary.org/obo/agro.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/dron.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ecocore.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/001-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity relationship: part_of BFO:0000002 ! continuant property_value: BFO:0000179 "continuant" xsd:string property_value: BFO:0000180 "Continuant" xsd:string property_value: IAO:0000111 "continuant" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240" xsd:string property_value: IAO:0000116 "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000007"} property_value: IAO:0000412 http://purl.obolibrary.org/obo/agro.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/dron.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000601 "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000601 "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/009-002"} property_value: IAO:0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/126-001"} property_value: IAO:0000602 "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/008-002"} property_value: IAO:0000602 "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/011-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity relationship: part_of BFO:0000003 ! occurrent property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string property_value: IAO:0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region" xsd:string property_value: IAO:0000116 "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players." xsd:string property_value: IAO:0000116 "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000006", comment="per discussion with Barry Smith"} property_value: IAO:0000116 "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000012"} property_value: IAO:0000412 http://purl.obolibrary.org/obo/agro.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ecocore.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/077-002"} property_value: IAO:0000601 "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: IAO:0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/108-001"} property_value: IAO:0000602 "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/079-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000004 name: independent continuant def: "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything." [] def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] is_a: BFO:0000002 ! continuant relationship: part_of BFO:0000004 ! independent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string property_value: IAO:0000112 "a chair" xsd:string property_value: IAO:0000112 "a heart" xsd:string property_value: IAO:0000112 "a leg" xsd:string property_value: IAO:0000112 "a molecule" xsd:string property_value: IAO:0000112 "a spatial region" xsd:string property_value: IAO:0000112 "an atom" xsd:string property_value: IAO:0000112 "an orchestra." xsd:string property_value: IAO:0000112 "an organism" xsd:string property_value: IAO:0000112 "the bottom right portion of a human torso" xsd:string property_value: IAO:0000112 "the interior of your mouth" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/agro.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/dron.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000601 "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/018-002"} property_value: IAO:0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/134-001"} property_value: IAO:0000602 "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000006 name: spatial region is_a: BFO:0000141 ! immaterial entity [Term] id: BFO:0000008 name: temporal region is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "t-region" xsd:string property_value: BFO:0000180 "TemporalRegion" xsd:string property_value: IAO:0000116 "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000003", comment="per discussion with Barry Smith"} property_value: IAO:0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/100-001"} property_value: IAO:0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/101-001"} property_value: IAO:0000601 "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/119-002"} property_value: IAO:0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/119-002"} property_value: IAO:0000602 "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/101-001"} property_value: IAO:0000602 "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/100-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000015 name: process namespace: source def: "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t." [] def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string property_value: IAO:0000112 "a process of cell-division, \\ a beating of the heart" xsd:string property_value: IAO:0000112 "a process of meiosis" xsd:string property_value: IAO:0000112 "a process of sleeping" xsd:string property_value: IAO:0000112 "the course of a disease" xsd:string property_value: IAO:0000112 "the flight of a bird" xsd:string property_value: IAO:0000112 "the life of an organism" xsd:string property_value: IAO:0000112 "your process of aging." xsd:string property_value: IAO:0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/agro.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/cob.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ecocore.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000016 name: disposition is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "disposition" xsd:string property_value: BFO:0000180 "Disposition" xsd:string property_value: IAO:0000112 "an atom of element X has the disposition to decay to an atom of element Y" xsd:string property_value: IAO:0000112 "certain people have a predisposition to colon cancer" xsd:string property_value: IAO:0000112 "children are innately disposed to categorize objects in certain ways." xsd:string property_value: IAO:0000112 "the cell wall is disposed to filter chemicals in endocytosis and exocytosis" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type." xsd:string property_value: IAO:0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: IAO:0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/063-002"} property_value: IAO:0000602 "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/062-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity def: "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances." [] is_a: BFO:0000020 ! specifically dependent continuant relationship: part_of BFO:0000017 ! realizable entity property_value: BFO:0000179 "realizable" xsd:string property_value: BFO:0000180 "RealizableEntity" xsd:string property_value: IAO:0000112 "the disposition of this piece of metal to conduct electricity." xsd:string property_value: IAO:0000112 "the disposition of your blood to coagulate" xsd:string property_value: IAO:0000112 "the function of your reproductive organs" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the role of this boundary to delineate where Utah and Colorado meet" xsd:string property_value: IAO:0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: IAO:0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/060-002"} property_value: IAO:0000602 "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/058-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000019 name: quality is_a: BFO:0000020 ! specifically dependent continuant relationship: part_of BFO:0000019 ! quality property_value: BFO:0000179 "quality" xsd:string property_value: BFO:0000180 "Quality" xsd:string property_value: IAO:0000112 "the ambient temperature of this portion of air" xsd:string property_value: IAO:0000112 "the color of a tomato" xsd:string property_value: IAO:0000112 "the length of the circumference of your waist" xsd:string property_value: IAO:0000112 "the mass of this piece of gold." xsd:string property_value: IAO:0000112 "the shape of your nose" xsd:string property_value: IAO:0000112 "the shape of your nostril" xsd:string property_value: IAO:0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: IAO:0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/105-001"} property_value: IAO:0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/055-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000020 name: specifically dependent continuant def: "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same." [] def: "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])" [] def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} is_a: BFO:0000002 ! continuant relationship: part_of BFO:0000020 ! specifically dependent continuant property_value: BFO:0000179 "sdc" xsd:string property_value: BFO:0000180 "SpecificallyDependentContinuant" xsd:string property_value: IAO:0000112 "of one-sided specifically dependent continuants: the mass of this tomato" xsd:string property_value: IAO:0000112 "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates." xsd:string property_value: IAO:0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key" xsd:string property_value: IAO:0000112 "the disposition of this fish to decay" xsd:string property_value: IAO:0000112 "the function of this heart: to pump blood" xsd:string property_value: IAO:0000112 "the mutual dependence of proton donors and acceptors in chemical reactions [79" xsd:string property_value: IAO:0000112 "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction" xsd:string property_value: IAO:0000112 "the pink color of a medium rare piece of grilled filet mignon at its center" xsd:string property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the shape of this hole." xsd:string property_value: IAO:0000112 "the smell of this portion of mozzarella" xsd:string property_value: IAO:0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc." xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000005", comment="per discussion with Barry Smith"} property_value: IAO:0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: CHEBI:50906 ! role equivalent_to: CHEBI:50906 ! role property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string property_value: IAO:0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married." xsd:string property_value: IAO:0000112 "the priest role" xsd:string property_value: IAO:0000112 "the role of a boundary to demarcate two neighboring administrative territories" xsd:string property_value: IAO:0000112 "the role of a building in serving as a military target" xsd:string property_value: IAO:0000112 "the role of a stone in marking a property boundary" xsd:string property_value: IAO:0000112 "the role of subject in a clinical trial" xsd:string property_value: IAO:0000112 "the student role" xsd:string property_value: IAO:0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives." xsd:string property_value: IAO:0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/061-001"} property_value: IAO:0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/061-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000024 name: fiat object name: fiat object part is_a: BFO:0000040 ! material entity property_value: BFO:0000179 "fiat-object-part" xsd:string property_value: BFO:0000180 "FiatObjectPart" xsd:string property_value: IAO:0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29" xsd:string property_value: IAO:0000112 "the division of the brain into regions" xsd:string property_value: IAO:0000112 "the division of the planet into hemispheres" xsd:string property_value: IAO:0000112 "the dorsal and ventral surfaces of the body" xsd:string property_value: IAO:0000112 "the FMA:regional parts of an intact human body." xsd:string property_value: IAO:0000112 "the upper and lower lobes of the left lung" xsd:string property_value: IAO:0000112 "the Western hemisphere of the Earth" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/027-004"} property_value: IAO:0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/027-004"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000027 name: object aggregate is_a: BFO:0000040 ! material entity [Term] id: BFO:0000029 name: site is_a: BFO:0000141 ! immaterial entity [Term] id: BFO:0000030 name: object is_a: BFO:0000040 ! material entity [Term] id: BFO:0000031 name: generically dependent continuant def: "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time." [] def: "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} is_a: BFO:0000002 ! continuant relationship: part_of BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "gdc" xsd:string property_value: BFO:0000180 "GenericallyDependentContinuant" xsd:string property_value: IAO:0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity." xsd:string property_value: IAO:0000112 "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop" xsd:string property_value: IAO:0000112 "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000034 name: function is_a: BFO:0000016 ! disposition property_value: BFO:0000179 "function" xsd:string property_value: BFO:0000180 "Function" xsd:string property_value: IAO:0000112 "the function of a hammer to drive in nails" xsd:string property_value: IAO:0000112 "the function of a heart pacemaker to regulate the beating of a heart through electricity" xsd:string property_value: IAO:0000112 "the function of amylase in saliva to break down starch into sugar" xsd:string property_value: IAO:0000116 "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc." xsd:string property_value: IAO:0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: IAO:0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/064-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000038 name: one-dimensional temporal region is_a: BFO:0000008 ! temporal region property_value: BFO:0000179 "1d-t-region" xsd:string property_value: BFO:0000180 "OneDimensionalTemporalRegion" xsd:string property_value: IAO:0000112 "the temporal region during which a process occurs." xsd:string property_value: IAO:0000116 "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)." xsd:string property_value: IAO:0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/103-001"} property_value: IAO:0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/103-001"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity namespace: bfo def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant property_value: BFO:0000179 "material" xsd:string property_value: BFO:0000180 "MaterialEntity" xsd:string property_value: IAO:0000111 "material entity" xsd:string property_value: IAO:0000111 "material entity" xsd:string property_value: IAO:0000112 "a flame" xsd:string property_value: IAO:0000112 "a forest fire" xsd:string property_value: IAO:0000112 "a human being" xsd:string property_value: IAO:0000112 "a hurricane" xsd:string property_value: IAO:0000112 "a photon" xsd:string property_value: IAO:0000112 "a puff of smoke" xsd:string property_value: IAO:0000112 "a sea wave" xsd:string property_value: IAO:0000112 "a tornado" xsd:string property_value: IAO:0000112 "an aggregate of human beings." xsd:string property_value: IAO:0000112 "an energy wave" xsd:string property_value: IAO:0000112 "an epidemic" xsd:string property_value: IAO:0000112 "the undetached arm of a human being" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity." xsd:string property_value: IAO:0000116 "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/dron.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: IAO:0000601 "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000602 "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} property_value: IAO:0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " xsd:string {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000140 name: continuant fiat boundary def: "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])" [] {http://purl.obolibrary.org/obo/IAO_0010000="http://purl.obolibrary.org/obo/bfo/axiom/029-001"} is_a: BFO:0000141 ! immaterial entity [Term] id: BFO:0000141 name: immaterial entity is_a: BFO:0000004 ! independent continuant [Term] id: CARO:0000000 name: anatomical entity namespace: spatial def: "Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species." [CARO:MAH] is_a: CARO:0030000 ! biological entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/caro.owl [Term] id: CARO:0000003 name: anatomical structure name: connected anatomical structure namespace: spatial def: "Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome." [CC:DOS] is_a: CARO:0000006 ! material anatomical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/caro.owl [Term] id: CARO:0000006 name: material anatomical entity namespace: spatial def: "An anatomical entity that has mass." [CC:DOS] is_a: BFO:0000040 ! material entity is_a: CARO:0000000 ! anatomical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/caro.owl [Term] id: CARO:0001010 name: organism or virus or viroid is_a: BFO:0000040 ! material entity [Term] id: CARO:0030000 name: biological entity is_a: BFO:0000004 ! independent continuant [Term] id: CDNO:0000001 name: dietary chemical component def: "A material entity that is ingested and contributes to survival, growth and development" [] is_a: FOODON:03411041 ! chemical food component property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000003 name: available carbohydrate def: "Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals." [] synonym: "digestible carbohydrate" EXACT [] is_a: CHEBI:16646 ! carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000004 name: free sugar def: "Available carbohydrate in monosaccharide and disaccharide form" [] is_a: CDNO:0000003 ! available carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000005 name: dietary fibre def: "A carbohydrate that resists enzymatic digestion in the digestive systems of humans and other monogastric species." [] is_a: CHEBI:16646 ! carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000006 name: soluble dietary fibre def: "Dietary fibre which dissolves in water and is primarily fermented in the colon of monogastric animals by gut bacteria" [] is_a: CDNO:0000005 ! dietary fibre property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000008 name: insoluble dietary fibre def: "Dietary fibre which does not dissolve in water and is inert to digestive enzymes in the upper gastrointestinal tract of monogastric animals." [] is_a: CDNO:0000005 ! dietary fibre property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000011 name: macro element def: "A mineral nutrient that represents a major proportion of the minerals required in the diet" [] synonym: "macromineral" EXACT [] is_a: CHEBI:167164 ! mineral nutrient property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000012 name: trace element def: "Mineral nutrient that is present in a very low concentration within the diet" [] synonym: "micromineral" EXACT [] is_a: CHEBI:167164 ! mineral nutrient property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000013 name: plant secondary metabolite def: "A plant metabolite that is not essential for growth or division of plant cells." [] synonym: "secondary metabolite" EXACT [] is_a: CDNO:0000001 ! dietary chemical component property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000014 name: vitamin (molecular entity) def: "An organic molecule that has a vitamin(role)" [] comment: This term can be assigned to CHEBI or any other ontology that claims it is_a: CDNO:0000001 ! dietary chemical component property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000015 name: dietary calcium def: "Calcium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000016 name: dietary chlorine def: "Chlorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000017 name: dietary magnesium def: "Magnesium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000018 name: dietary phosphorus def: "Phosphorus ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000019 name: dietary potassium def: "Potassium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000020 name: dietary sodium def: "Sodium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000021 name: dietary sulfur def: "Sulfur ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000023 name: dietary copper def: "Copper ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000012 ! trace element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000024 name: dietary fluorine def: "Fluorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000012 ! trace element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000026 name: dietary iron def: "Iron ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000012 ! trace element property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0000031 name: gum def: "A complex carbohydrate with various rheological properties that result in viscoelastic behavior" [] is_a: CHEBI:18154 ! polysaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100016 name: glucose derived from sucrose def: "Glucose which is derived from sucrose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CHEBI:17992 ! derives from sucrose relationship: RO:0001000 CHEBI:17992 ! derives from sucrose property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100017 name: fructose derived from sucrose def: "Fructose which is derived from sucrose." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CHEBI:17992 ! derives from sucrose relationship: RO:0001000 CHEBI:17992 ! derives from sucrose property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100018 name: glucose derived from maltose def: "Glucose which is derived from maltose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CHEBI:17306 ! derives from maltose relationship: RO:0001000 CHEBI:17306 ! derives from maltose property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100027 name: raffinose derived from raffinose family oligosaccharide def: "Raffinose which is derived from raffinose family oligosaccharide." [] is_a: CHEBI:16634 ! raffinose intersection_of: CHEBI:16634 ! raffinose intersection_of: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide relationship: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100029 name: glucose derived from raffinose derived from raffinose family oligosaccharide def: "Glucose which is derived from raffinose derived from raffinose family oligosaccharide." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100030 name: fructose derived from raffinose derived from raffinose family oligosaccharide def: "Fructose which is derived from raffinose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100049 name: inulin derived from fructan def: "Inulin which is derived from fructan." [] is_a: CHEBI:15443 ! inulin intersection_of: CHEBI:15443 ! inulin intersection_of: RO:0001000 CHEBI:28796 ! derives from fructan relationship: RO:0001000 CHEBI:28796 ! derives from fructan property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100050 name: fructose derived from inulin derived from fructan def: "Fructose which is derived from inulin derived from fructan." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100049 ! derives from inulin derived from fructan relationship: RO:0001000 CDNO:0100049 ! derives from inulin derived from fructan property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0100051 name: amino acid derived from protein def: "Amino acid which is derived from protein." [] is_a: CHEBI:33709 ! amino acid intersection_of: CHEBI:33709 ! amino acid intersection_of: RO:0001000 CHEBI:36080 ! derives from protein relationship: RO:0001000 CHEBI:36080 ! derives from protein property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200001 name: concentration of dietary chemical component in material entity def: "The concentration of dietary chemical component when measured in some material entity." [] synonym: "material entity dietary chemical component concentration" EXACT [] is_a: PATO:0000033 ! concentration of property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200002 name: concentration of water in material entity def: "The concentration of water when measured in some material entity." [] synonym: "material entity water concentration" EXACT [] xref: INFOODs:WATER xref: USDA_NDB:1051 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200005 name: concentration of carbohydrate in material entity def: "The concentration of carbohydrate when measured in some material entity." [] synonym: "material entity carbohydrate concentration" EXACT [] xref: USDA_NDB:1005 xref: USDA_NDB:1050 xref: USDA_NDB:1072 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200006 name: concentration of polysaccharide in material entity def: "The concentration of polysaccharide when measured in some material entity." [] synonym: "material entity polysaccharide concentration" EXACT [] xref: INFOODs:POLYSAC is_a: CDNO:0200005 ! concentration of carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200011 name: concentration of inulin in material entity def: "The concentration of inulin when measured in some material entity." [] synonym: "material entity inulin concentration" EXACT [] xref: INFOODs:INULN xref: USDA_NDB:1403 is_a: CDNO:0200039 ! concentration of fructan in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200012 name: concentration of monosaccharide in material entity def: "The concentration of monosaccharide when measured in some material entity." [] synonym: "material entity monosaccharide concentration" EXACT [] xref: INFOODs:MNSAC is_a: CDNO:0200005 ! concentration of carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200013 name: concentration of glucose in material entity def: "The concentration of glucose when measured in some material entity." [] synonym: "material entity glucose concentration" EXACT [] xref: INFOODs:GLUFB xref: INFOODs:GLUS xref: USDA_NDB:1011 is_a: CDNO:0200012 ! concentration of monosaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200014 name: concentration of fructose in material entity def: "The concentration of fructose when measured in some material entity." [] synonym: "material entity fructose concentration" EXACT [] xref: INFOODs:FRUFB xref: INFOODs:FRUS xref: USDA_NDB:1012 is_a: CDNO:0200034 ! concentration of free sugar in material entity is_a: CDNO:0200703 ! concentration of ketohexose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200015 name: concentration of rhamnose in material entity def: "The concentration of rhamnose when measured in some material entity." [] synonym: "material entity rhamnose concentration" EXACT [] xref: INFOODs:RHAFB xref: INFOODs:RHAS is_a: CDNO:0200012 ! concentration of monosaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200024 name: concentration of disaccharide in material entity def: "The concentration of disaccharide when measured in some material entity." [] synonym: "material entity disaccharide concentration" EXACT [] xref: INFOODs:DISAC is_a: CDNO:0200028 ! concentration of oligosaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200025 name: concentration of sucrose in material entity def: "The concentration of sucrose when measured in some material entity." [] synonym: "material entity sucrose concentration" EXACT [] xref: INFOODs:SUCS xref: USDA_NDB:1010 is_a: CDNO:0200024 ! concentration of disaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200026 name: concentration of trehalose in material entity def: "The concentration of trehalose when measured in some material entity." [] synonym: "material entity trehalose concentration" EXACT [] xref: INFOODs:TRES is_a: CDNO:0200024 ! concentration of disaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200027 name: concentration of maltose in material entity def: "The concentration of maltose when measured in some material entity." [] synonym: "material entity maltose concentration" EXACT [] xref: INFOODs:MALS xref: USDA_NDB:1014 is_a: CDNO:0200024 ! concentration of disaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200028 name: concentration of oligosaccharide in material entity def: "The concentration of oligosaccharide when measured in some material entity." [] synonym: "material entity oligosaccharide concentration" EXACT [] xref: INFOODs:OLSAC xref: INFOODs:OLSACM is_a: CDNO:0200005 ! concentration of carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200029 name: concentration of raffinose family oligosaccharide in material entity def: "The concentration of raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs:RAFS is_a: CDNO:0200028 ! concentration of oligosaccharide in material entity is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200030 name: concentration of raffinose in material entity def: "The concentration of raffinose when measured in some material entity." [] synonym: "material entity raffinose concentration" EXACT [] xref: INFOODs:RAFS is_a: CDNO:0200029 ! concentration of raffinose family oligosaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200033 name: concentration of available carbohydrate in material entity def: "The concentration of available carbohydrate when measured in some material entity." [] synonym: "material entity available carbohydrate concentration" EXACT [] xref: INFOODs:CHOAVL xref: INFOODs:CHOAVL- xref: INFOODs:CHOAVLDF xref: INFOODs:CHOAVLM xref: INFOODs:CHOAVLO xref: USDA_NDB:1005 is_a: CDNO:0200005 ! concentration of carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200034 name: concentration of free sugar in material entity def: "The concentration of free sugar when measured in some material entity." [] synonym: "material entity free sugar concentration" EXACT [] xref: INFOODs:SUGAR xref: INFOODs:SUGAR- xref: INFOODs:SUGARM xref: USDA_NDB:1063 xref: USDA_NDB:1235 xref: USDA_NDB:2000 is_a: CDNO:0200033 ! concentration of available carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200035 name: concentration of dietary fibre in material entity def: "The concentration of dietary fibre when measured in some material entity." [] synonym: "material entity dietary fibre concentration" EXACT [] xref: INFOODs:FIB- xref: INFOODs:FIBC xref: INFOODs:FIBDF xref: INFOODs:FIBTGLC xref: USDA_NDB:2033 is_a: CDNO:0200005 ! concentration of carbohydrate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200036 name: concentration of soluble dietary fibre in material entity def: "The concentration of soluble dietary fibre when measured in some material entity." [] synonym: "material entity soluble dietary fibre concentration" EXACT [] xref: INFOODs:FIBGLCSSOL xref: INFOODs:PSACNSS xref: USDA_NDB:1082 is_a: CDNO:0200035 ! concentration of dietary fibre in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200038 name: concentration of insoluble dietary fibre in material entity def: "The concentration of insoluble dietary fibre when measured in some material entity." [] synonym: "material entity insoluble dietary fibre concentration" EXACT [] xref: INFOODs:FIBC xref: INFOODs:FIBGLCSINS xref: INFOODs:FIBGLCSINSOL xref: INFOODs:FIBINS xref: INFOODs:FIBTGLCS xref: USDA_NDB:1084 is_a: CDNO:0200035 ! concentration of dietary fibre in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200039 name: concentration of fructan in material entity def: "The concentration of fructan when measured in some material entity." [] synonym: "material entity fructan concentration" EXACT [] xref: INFOODs:FRUTN xref: INFOODs:FRUTNM is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200038 ! concentration of insoluble dietary fibre in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200040 name: concentration of protein in material entity def: "The concentration of protein when measured in some material entity." [] synonym: "material entity protein concentration" EXACT [] xref: INFOODs:PROT- xref: USDA_NDB:1003 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200051 name: concentration of cysteine in material entity def: "The concentration of cysteine when measured in some material entity." [] synonym: "material entity cysteine concentration" EXACT [] xref: INFOODs:CYSTE xref: USDA_NDB:1232 is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200055 name: concentration of histidine in material entity def: "The concentration of histidine when measured in some material entity." [] synonym: "material entity histidine concentration" EXACT [] xref: INFOODs:HIS xref: USDA_NDB:1221 is_a: CDNO:0200464 ! concentration of amino acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200058 name: concentration of leucine in material entity def: "The concentration of leucine when measured in some material entity." [] synonym: "material entity leucine concentration" EXACT [] xref: INFOODs:LEU xref: USDA_NDB:1213 is_a: CDNO:0200464 ! concentration of amino acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200060 name: concentration of methionine in material entity def: "The concentration of methionine when measured in some material entity." [] synonym: "material entity methionine concentration" EXACT [] xref: INFOODs:MET xref: USDA_NDB:1215 is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200061 name: concentration of phenylalanine in material entity def: "The concentration of phenylalanine when measured in some material entity." [] synonym: "material entity phenylalanine concentration" EXACT [] xref: INFOODs:PHE xref: USDA_NDB:1217 is_a: CDNO:0200464 ! concentration of amino acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200062 name: concentration of proline in material entity def: "The concentration of proline when measured in some material entity." [] synonym: "material entity proline concentration" EXACT [] xref: INFOODs:PRO xref: USDA_NDB:1226 is_a: CDNO:0200464 ! concentration of amino acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200068 name: concentration of lipid in material entity def: "The concentration of lipid when measured in some material entity." [] synonym: "material entity lipid concentration" EXACT [] xref: INFOODs:FATPL xref: USDA_NDB:1004 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200082 name: concentration of propionic acid in material entity def: "The concentration of propionic acid when measured in some material entity." [] synonym: "material entity propionic acid concentration" EXACT [] xref: INFOODs:PROPAC is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200084 name: concentration of palmitoleic acid in material entity def: "The concentration of palmitoleic acid when measured in some material entity." [] synonym: "material entity palmitoleic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200092 name: concentration of ω−3 fatty acid in material entity def: "The concentration of ω−3 fatty acid when measured in some material entity." [] synonym: "material entity ω−3 fatty acid concentration" EXACT [] is_a: CDNO:0200449 ! concentration of polyunsaturated fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200103 name: concentration of ω−6 fatty acid in material entity def: "The concentration of ω−6 fatty acid when measured in some material entity." [] synonym: "material entity ω−6 fatty acid concentration" EXACT [] is_a: CDNO:0200449 ! concentration of polyunsaturated fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200108 name: concentration of arachidonic acid in material entity def: "The concentration of arachidonic acid when measured in some material entity." [] synonym: "material entity arachidonic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of ω−6 fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200121 name: concentration of sterol in material entity def: "The concentration of sterol when measured in some material entity." [] synonym: "material entity sterol concentration" EXACT [] xref: INFOODs:STEOTH xref: INFOODs:STERFRE xref: INFOODs:STERT is_a: CDNO:0200068 ! concentration of lipid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200123 name: concentration of cholesterol in material entity def: "The concentration of cholesterol when measured in some material entity." [] synonym: "material entity cholesterol concentration" EXACT [] xref: INFOODs:CHOLEST xref: USDA_NDB:1253 is_a: CDNO:0200121 ! concentration of sterol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200136 name: concentration of mineral nutrient in material entity def: "The concentration of mineral nutrient when measured in some material entity." [] synonym: "material entity mineral nutrient concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200137 name: concentration of macro element in material entity def: "The concentration of macro element when measured in some material entity." [] synonym: "material entity macro element concentration" EXACT [] is_a: CDNO:0200136 ! concentration of mineral nutrient in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200139 name: concentration of chloride in material entity def: "The concentration of chloride when measured in some material entity." [] synonym: "material entity chloride concentration" EXACT [] xref: INFOODs:CLD is_a: CDNO:0200559 ! concentration of dietary chlorine in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200143 name: concentration of potassium(1+) in material entity def: "The concentration of potassium(1+) when measured in some material entity." [] synonym: "material entity potassium(1+) concentration" EXACT [] xref: INFOODs:K xref: USDA_NDB:1092 is_a: CDNO:0200592 ! concentration of dietary potassium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200146 name: concentration of trace element in material entity def: "The concentration of trace element when measured in some material entity." [] synonym: "material entity trace element concentration" EXACT [] is_a: CDNO:0200136 ! concentration of mineral nutrient in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200154 name: concentration of copper(2+) in material entity def: "The concentration of copper(2+) when measured in some material entity." [] synonym: "material entity copper(2+) concentration" EXACT [] xref: INFOODs:CU xref: USDA_NDB:1098 is_a: CDNO:0200642 ! concentration of dietary copper in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200155 name: concentration of fluoride in material entity def: "The concentration of fluoride when measured in some material entity." [] synonym: "material entity fluoride concentration" EXACT [] xref: INFOODs:FD xref: USDA_NDB:1099 is_a: CDNO:0200645 ! concentration of dietary fluorine in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200157 name: concentration of iron(2+) in material entity def: "The concentration of iron(2+) when measured in some material entity." [] synonym: "material entity iron(2+) concentration" EXACT [] xref: INFOODs:FE xref: USDA_NDB:1089 is_a: CDNO:0200651 ! concentration of dietary iron in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200159 name: concentration of lithium(1+) in material entity def: "The concentration of lithium(1+) when measured in some material entity." [] synonym: "material entity lithium(1+) concentration" EXACT [] xref: INFOODs:LI is_a: CDNO:0200146 ! concentration of trace element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200175 name: concentration of salt in material entity def: "The concentration of salt when measured in some material entity." [] synonym: "material entity salt concentration" EXACT [] xref: INFOODs:NACL is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200176 name: concentration of sodium chloride in material entity def: "The concentration of sodium chloride when measured in some material entity." [] synonym: "material entity sodium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200179 name: concentration of vitamin (molecular entity) in material entity def: "The concentration of vitamin (molecular entity) when measured in some material entity." [] synonym: "material entity vitamin (molecular entity) concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200182 name: concentration of B vitamin in material entity def: "The concentration of B vitamin when measured in some material entity." [] synonym: "material entity B vitamin concentration" EXACT [] is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200184 name: concentration of vitamin B1 in material entity def: "The concentration of vitamin B1 when measured in some material entity." [] synonym: "material entity vitamin B1 concentration" EXACT [] xref: INFOODs:THIA- xref: USDA_NDB:1165 is_a: CDNO:0200182 ! concentration of B vitamin in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200185 name: concentration of riboflavin in material entity def: "The concentration of riboflavin when measured in some material entity." [] synonym: "material entity riboflavin concentration" EXACT [] xref: INFOODs:RIBF xref: USDA_NDB:1166 is_a: CDNO:0200527 ! concentration of vitamin B2 in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200186 name: concentration of nicotinic acid in material entity def: "The concentration of nicotinic acid when measured in some material entity." [] synonym: "material entity nicotinic acid concentration" EXACT [] xref: INFOODs:NIA- xref: USDA_NDB:1167 is_a: CDNO:0200216 ! concentration of alkaloid in material entity is_a: CDNO:0200422 ! concentration of organic acid in material entity is_a: CDNO:0200528 ! concentration of vitamin B3 in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200189 name: concentration of biotin in material entity def: "The concentration of biotin when measured in some material entity." [] synonym: "material entity biotin concentration" EXACT [] xref: INFOODs:BIOT xref: USDA_NDB:1176 is_a: CDNO:0200422 ! concentration of organic acid in material entity is_a: CDNO:0200531 ! concentration of vitamin B7 in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200190 name: concentration of folic acid in material entity def: "The concentration of folic acid when measured in some material entity." [] synonym: "material entity folic acid concentration" EXACT [] xref: INFOODs:FOLAC xref: USDA_NDB:1186 is_a: CDNO:0200422 ! concentration of organic acid in material entity is_a: CDNO:0200532 ! concentration of vitamin B9 in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200192 name: concentration of vitamin C in material entity def: "The concentration of vitamin C when measured in some material entity." [] synonym: "material entity vitamin C concentration" EXACT [] xref: INFOODs:VITC xref: INFOODs:VITC- xref: USDA_NDB:1162 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200193 name: concentration of L-ascorbic acid in material entity def: "The concentration of L-ascorbic acid when measured in some material entity." [] synonym: "material entity L-ascorbic acid concentration" EXACT [] xref: INFOODs:ASCL is_a: CDNO:0200192 ! concentration of vitamin C in material entity is_a: CDNO:0200430 ! concentration of ascorbic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200195 name: concentration of vitamin A in material entity def: "The concentration of vitamin A when measured in some material entity." [] synonym: "material entity vitamin A concentration" EXACT [] xref: INFOODs:VITA xref: INFOODs:VITA- xref: INFOODs:VITAA xref: USDA_NDB:1104 xref: USDA_NDB:1106 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity is_a: CDNO:0200409 ! concentration of diterpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200196 name: concentration of carotenoid in material entity def: "The concentration of carotenoid when measured in some material entity." [] synonym: "material entity carotenoid concentration" EXACT [] xref: INFOODs:CARTOID is_a: CDNO:0200524 ! concentration of tetraterpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200198 name: concentration of β-carotene in material entity def: "The concentration of β-carotene when measured in some material entity." [] synonym: "material entity β-carotene concentration" EXACT [] xref: INFOODs:CARTB xref: USDA_NDB:1107 is_a: CDNO:0200195 ! concentration of vitamin A in material entity is_a: CDNO:0200523 ! concentration of carotene in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200201 name: concentration of vitamin D in material entity def: "The concentration of vitamin D when measured in some material entity." [] synonym: "material entity vitamin D concentration" EXACT [] xref: INFOODs:VITD xref: INFOODs:VITD- xref: USDA_NDB:1110 is_a: CDNO:0200068 ! concentration of lipid in material entity is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200203 name: concentration of vitamin E in material entity def: "The concentration of vitamin E when measured in some material entity." [] synonym: "material entity vitamin E concentration" EXACT [] xref: INFOODs:VITE xref: INFOODs:VITE- xref: INFOODs:VITEA xref: USDA_NDB:1124 xref: USDA_NDB:1158 xref: USDA_NDB:1242 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200204 name: concentration of tocopherol in material entity def: "The concentration of tocopherol when measured in some material entity." [] synonym: "material entity tocopherol concentration" EXACT [] xref: INFOODs:TOCPHT is_a: CDNO:0200203 ! concentration of vitamin E in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200205 name: concentration of α-tocopherol in material entity def: "The concentration of α-tocopherol when measured in some material entity." [] synonym: "material entity α-tocopherol concentration" EXACT [] xref: INFOODs:TOCPHA xref: USDA_NDB:1109 is_a: CDNO:0200204 ! concentration of tocopherol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200214 name: concentration of vitamin K in material entity def: "The concentration of vitamin K when measured in some material entity." [] synonym: "material entity vitamin K concentration" EXACT [] xref: INFOODs:VITK is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity is_a: CDNO:0200256 ! concentration of 1,4-napthoquinone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200215 name: concentration of plant secondary metabolite in material entity def: "The concentration of plant secondary metabolite when measured in some material entity." [] synonym: "material entity plant secondary metabolite concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200216 name: concentration of alkaloid in material entity def: "The concentration of alkaloid when measured in some material entity." [] synonym: "material entity alkaloid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200217 name: concentration of caffeine in material entity def: "The concentration of caffeine when measured in some material entity." [] synonym: "material entity caffeine concentration" EXACT [] xref: INFOODs:CAFFN xref: USDA_NDB:1057 is_a: CDNO:0200216 ! concentration of alkaloid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200220 name: concentration of phenols in material entity def: "The concentration of phenols when measured in some material entity." [] synonym: "material entity phenols concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200221 name: concentration of polyphenol in material entity def: "The concentration of polyphenol when measured in some material entity." [] synonym: "material entity polyphenol concentration" EXACT [] xref: INFOODs:POLYPHENT is_a: CDNO:0200220 ! concentration of phenols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200222 name: concentration of tannin in material entity def: "The concentration of tannin when measured in some material entity." [] synonym: "material entity tannin concentration" EXACT [] xref: INFOODs:TAN is_a: CDNO:0200221 ! concentration of polyphenol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200229 name: concentration of catechol in material entity def: "The concentration of catechol when measured in some material entity." [] synonym: "material entity catechol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200232 name: concentration of phenolic acid in material entity def: "The concentration of phenolic acid when measured in some material entity." [] synonym: "material entity phenolic acid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200234 name: concentration of hydroxybenzoic acid in material entity def: "The concentration of hydroxybenzoic acid when measured in some material entity." [] synonym: "material entity hydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity is_a: CDNO:0200232 ! concentration of phenolic acid in material entity is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200235 name: concentration of salicylic acid in material entity def: "The concentration of salicylic acid when measured in some material entity." [] synonym: "material entity salicylic acid concentration" EXACT [] xref: INFOODs:SALAC is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200239 name: concentration of methyl ketone in material entity def: "The concentration of methyl ketone when measured in some material entity." [] synonym: "material entity methyl ketone concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200240 name: concentration of acetophenone in material entity def: "The concentration of acetophenone when measured in some material entity." [] synonym: "material entity acetophenone concentration" EXACT [] is_a: CDNO:0200239 ! concentration of methyl ketone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200254 name: concentration of naphthoquinone in material entity def: "The concentration of naphthoquinone when measured in some material entity." [] synonym: "material entity naphthoquinone concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200256 name: concentration of 1,4-napthoquinone in material entity def: "The concentration of 1,4-napthoquinone when measured in some material entity." [] synonym: "material entity 1,4-napthoquinone concentration" EXACT [] is_a: CDNO:0200254 ! concentration of naphthoquinone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200258 name: concentration of stilbenoid in material entity def: "The concentration of stilbenoid when measured in some material entity." [] synonym: "material entity stilbenoid concentration" EXACT [] is_a: CDNO:0200259 ! concentration of stilbene in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200259 name: concentration of stilbene in material entity def: "The concentration of stilbene when measured in some material entity." [] synonym: "material entity stilbene concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200268 name: concentration of flavonoids in material entity def: "The concentration of flavonoids when measured in some material entity." [] synonym: "material entity flavonoids concentration" EXACT [] xref: INFOODs:FLAVD is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200269 name: concentration of flavonoid in material entity def: "The concentration of flavonoid when measured in some material entity." [] synonym: "material entity flavonoid concentration" EXACT [] xref: INFOODs:FLAVD is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200272 name: concentration of flavan in material entity def: "The concentration of flavan when measured in some material entity." [] synonym: "material entity flavan concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200273 name: concentration of flavanone in material entity def: "The concentration of flavanone when measured in some material entity." [] synonym: "material entity flavanone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200282 name: concentration of naringenin in material entity def: "The concentration of naringenin when measured in some material entity." [] synonym: "material entity naringenin concentration" EXACT [] xref: INFOODs:NARING is_a: CDNO:0200847 ! concentration of hydroxyflavanone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200290 name: concentration of flavone in material entity def: "The concentration of flavone when measured in some material entity." [] synonym: "material entity flavone concentration" EXACT [] is_a: CDNO:0200794 ! concentration of flavones in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200296 name: concentration of chrysin in material entity def: "The concentration of chrysin when measured in some material entity." [] synonym: "material entity chrysin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200311 name: concentration of quercetin in material entity def: "The concentration of quercetin when measured in some material entity." [] synonym: "material entity quercetin concentration" EXACT [] xref: INFOODs:QUERCE is_a: CDNO:0200826 ! concentration of flavonols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200318 name: concentration of hydroxyflavan in material entity def: "The concentration of hydroxyflavan when measured in some material entity." [] synonym: "material entity hydroxyflavan concentration" EXACT [] is_a: CDNO:0200272 ! concentration of flavan in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200319 name: concentration of catechin in material entity def: "The concentration of catechin when measured in some material entity." [] synonym: "material entity catechin concentration" EXACT [] xref: INFOODs:CATEC xref: INFOODs:CATECT is_a: CDNO:0200318 ! concentration of hydroxyflavan in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200370 name: concentration of isoflavonoid in material entity def: "The concentration of isoflavonoid when measured in some material entity." [] synonym: "material entity isoflavonoid concentration" EXACT [] xref: INFOODs:ISOFLVND is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200373 name: concentration of isoflavones in material entity def: "The concentration of isoflavones when measured in some material entity." [] synonym: "material entity isoflavones concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200374 name: concentration of hydroxyisoflavone in material entity def: "The concentration of hydroxyisoflavone when measured in some material entity." [] synonym: "material entity hydroxyisoflavone concentration" EXACT [] is_a: CDNO:0200373 ! concentration of isoflavones in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200375 name: concentration of daidzein in material entity def: "The concentration of daidzein when measured in some material entity." [] synonym: "material entity daidzein concentration" EXACT [] xref: INFOODs:DDZEIN is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200376 name: concentration of genistein in material entity def: "The concentration of genistein when measured in some material entity." [] synonym: "material entity genistein concentration" EXACT [] xref: INFOODs:GNSTEIN is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200378 name: concentration of glucoside in material entity def: "The concentration of glucoside when measured in some material entity." [] synonym: "material entity glucoside concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200398 name: concentration of phenylpropanoid in material entity def: "The concentration of phenylpropanoid when measured in some material entity." [] synonym: "material entity phenylpropanoid concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200406 name: concentration of terpenoid in material entity def: "The concentration of terpenoid when measured in some material entity." [] synonym: "material entity terpenoid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity is_a: CDNO:0200520 ! concentration of isoprenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200409 name: concentration of diterpenoid in material entity def: "The concentration of diterpenoid when measured in some material entity." [] synonym: "material entity diterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200418 name: concentration of lycopene in material entity def: "The concentration of lycopene when measured in some material entity." [] synonym: "material entity lycopene concentration" EXACT [] xref: INFOODs:LYCPN xref: USDA_NDB:1122 is_a: CDNO:0200523 ! concentration of carotene in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200421 name: concentration of triterpenoid in material entity def: "The concentration of triterpenoid when measured in some material entity." [] synonym: "material entity triterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200422 name: concentration of organic acid in material entity def: "The concentration of organic acid when measured in some material entity." [] synonym: "material entity organic acid concentration" EXACT [] xref: INFOODs:OA is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200423 name: concentration of acetic acid in material entity def: "The concentration of acetic acid when measured in some material entity." [] synonym: "material entity acetic acid concentration" EXACT [] xref: INFOODs:ACEAC xref: USDA_NDB:1026 is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200430 name: concentration of ascorbic acid in material entity def: "The concentration of ascorbic acid when measured in some material entity." [] synonym: "material entity ascorbic acid concentration" EXACT [] is_a: CDNO:0200012 ! concentration of monosaccharide in material entity is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200432 name: concentration of oxalic acid in material entity def: "The concentration of oxalic acid when measured in some material entity." [] synonym: "material entity oxalic acid concentration" EXACT [] xref: INFOODs:OXALAC is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200441 name: concentration of inositol in material entity def: "The concentration of inositol when measured in some material entity." [] synonym: "material entity inositol concentration" EXACT [] xref: INFOODs:INOTL xref: USDA_NDB:1181 is_a: CDNO:0200444 ! concentration of polyol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200444 name: concentration of polyol in material entity def: "The concentration of polyol when measured in some material entity." [] synonym: "material entity polyol concentration" EXACT [] xref: INFOODs:POLYL is_a: CDNO:0200005 ! concentration of carbohydrate in material entity is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200445 name: concentration of mannitol in material entity def: "The concentration of mannitol when measured in some material entity." [] synonym: "material entity mannitol concentration" EXACT [] xref: INFOODs:MANTL is_a: CDNO:0200714 ! concentration of alditol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200447 name: concentration of glucitol in material entity def: "The concentration of glucitol when measured in some material entity." [] synonym: "material entity glucitol concentration" EXACT [] is_a: CDNO:0200013 ! concentration of glucose in material entity is_a: CDNO:0200714 ! concentration of alditol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200449 name: concentration of polyunsaturated fatty acid in material entity def: "The concentration of polyunsaturated fatty acid when measured in some material entity." [] synonym: "material entity polyunsaturated fatty acid concentration" EXACT [] xref: INFOODs:FAPU xref: INFOODs:FAPULC xref: USDA_NDB:1293 is_a: CDNO:0200465 ! concentration of fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200451 name: concentration of glycerol in material entity def: "The concentration of glycerol when measured in some material entity." [] synonym: "material entity glycerol concentration" EXACT [] xref: INFOODs:GLYRL is_a: CDNO:0200714 ! concentration of alditol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200452 name: concentration of triglyceride in material entity def: "The concentration of triglyceride when measured in some material entity." [] synonym: "material entity triglyceride concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200456 name: concentration of monounsaturated fatty acid in material entity def: "The concentration of monounsaturated fatty acid when measured in some material entity." [] synonym: "material entity monounsaturated fatty acid concentration" EXACT [] xref: USDA_NDB:1292 is_a: CDNO:0200465 ! concentration of fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200458 name: concentration of saturated fatty acid in material entity def: "The concentration of saturated fatty acid when measured in some material entity." [] synonym: "material entity saturated fatty acid concentration" EXACT [] xref: INFOODs:FASAT xref: USDA_NDB:1258 is_a: CDNO:0200465 ! concentration of fatty acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200460 name: concentration of amylopectin in material entity def: "The concentration of amylopectin when measured in some material entity." [] synonym: "material entity amylopectin concentration" EXACT [] xref: INFOODs:AMYP is_a: CDNO:0200006 ! concentration of polysaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200464 name: concentration of amino acid in material entity def: "The concentration of amino acid when measured in some material entity." [] synonym: "material entity amino acid concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200465 name: concentration of fatty acid in material entity def: "The concentration of fatty acid when measured in some material entity." [] synonym: "material entity fatty acid concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity is_a: CDNO:0200422 ! concentration of organic acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200468 name: concentration of glucan in material entity def: "The concentration of glucan when measured in some material entity." [] synonym: "material entity glucan concentration" EXACT [] is_a: CDNO:0200006 ! concentration of polysaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200484 name: concentration of glucose derived from sucrose in material entity def: "The concentration of glucose derived from sucrose when measured in some material entity." [] synonym: "material entity glucose derived from sucrose concentration" EXACT [] xref: INFOODs:GLUS xref: USDA_NDB:1011 is_a: CDNO:0200013 ! concentration of glucose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200485 name: concentration of fructose derived from sucrose in material entity def: "The concentration of fructose derived from sucrose when measured in some material entity." [] synonym: "material entity fructose derived from sucrose concentration" EXACT [] xref: INFOODs:FRUS xref: USDA_NDB:1012 is_a: CDNO:0200014 ! concentration of fructose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200486 name: concentration of glucose derived from maltose in material entity def: "The concentration of glucose derived from maltose when measured in some material entity." [] synonym: "material entity glucose derived from maltose concentration" EXACT [] xref: INFOODs:GLUS xref: USDA_NDB:1011 is_a: CDNO:0200013 ! concentration of glucose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200495 name: concentration of raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs:RAFS is_a: CDNO:0200030 ! concentration of raffinose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200497 name: concentration of glucose derived from raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of glucose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity glucose derived from raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs:GLUS xref: USDA_NDB:1011 is_a: CDNO:0200013 ! concentration of glucose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200498 name: concentration of fructose derived from raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of fructose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity fructose derived from raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs:FRUS xref: USDA_NDB:1012 is_a: CDNO:0200014 ! concentration of fructose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200517 name: concentration of inulin derived from fructan in material entity def: "The concentration of inulin derived from fructan when measured in some material entity." [] synonym: "material entity inulin derived from fructan concentration" EXACT [] xref: INFOODs:INULN xref: USDA_NDB:1403 is_a: CDNO:0200011 ! concentration of inulin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200518 name: concentration of fructose derived from inulin derived from fructan in material entity def: "The concentration of fructose derived from inulin derived from fructan when measured in some material entity." [] synonym: "material entity fructose derived from inulin derived from fructan concentration" EXACT [] xref: INFOODs:FRUS xref: USDA_NDB:1012 is_a: CDNO:0200014 ! concentration of fructose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200519 name: concentration of amino acid derived from protein in material entity def: "The concentration of amino acid derived from protein when measured in some material entity." [] synonym: "material entity amino acid derived from protein concentration" EXACT [] is_a: CDNO:0200464 ! concentration of amino acid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200520 name: concentration of isoprenoid in material entity def: "The concentration of isoprenoid when measured in some material entity." [] synonym: "material entity isoprenoid concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200521 name: concentration of terpene in material entity def: "The concentration of terpene when measured in some material entity." [] synonym: "material entity terpene concentration" EXACT [] is_a: CDNO:0200520 ! concentration of isoprenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200522 name: concentration of tetraterpene in material entity def: "The concentration of tetraterpene when measured in some material entity." [] synonym: "material entity tetraterpene concentration" EXACT [] is_a: CDNO:0200521 ! concentration of terpene in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200523 name: concentration of carotene in material entity def: "The concentration of carotene when measured in some material entity." [] synonym: "material entity carotene concentration" EXACT [] is_a: CDNO:0200196 ! concentration of carotenoid in material entity is_a: CDNO:0200522 ! concentration of tetraterpene in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200524 name: concentration of tetraterpenoid in material entity def: "The concentration of tetraterpenoid when measured in some material entity." [] synonym: "material entity tetraterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200525 name: concentration of methylmercury compound in material entity def: "The concentration of methylmercury compound when measured in some material entity." [] synonym: "material entity methylmercury compound concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200526 name: concentration of thiamine hydrochloride in material entity def: "The concentration of thiamine hydrochloride when measured in some material entity." [] synonym: "material entity thiamine hydrochloride concentration" EXACT [] xref: INFOODs:THIAHCL is_a: CDNO:0200184 ! concentration of vitamin B1 in material entity is_a: CDNO:0200566 ! concentration of organic chloride salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200527 name: concentration of vitamin B2 in material entity def: "The concentration of vitamin B2 when measured in some material entity." [] synonym: "material entity vitamin B2 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200528 name: concentration of vitamin B3 in material entity def: "The concentration of vitamin B3 when measured in some material entity." [] synonym: "material entity vitamin B3 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200530 name: concentration of vitamin B6 in material entity def: "The concentration of vitamin B6 when measured in some material entity." [] synonym: "material entity vitamin B6 concentration" EXACT [] xref: INFOODs:VITB6- xref: USDA_NDB:1175 is_a: CDNO:0200182 ! concentration of B vitamin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200531 name: concentration of vitamin B7 in material entity def: "The concentration of vitamin B7 when measured in some material entity." [] synonym: "material entity vitamin B7 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200532 name: concentration of vitamin B9 in material entity def: "The concentration of vitamin B9 when measured in some material entity." [] synonym: "material entity vitamin B9 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200533 name: concentration of tetrahydrofolate in material entity def: "The concentration of tetrahydrofolate when measured in some material entity." [] synonym: "material entity tetrahydrofolate concentration" EXACT [] xref: INFOODs:FOLH4 is_a: CDNO:0200532 ! concentration of vitamin B9 in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200535 name: concentration of all-trans-retinol in material entity def: "The concentration of all-trans-retinol when measured in some material entity." [] synonym: "material entity all-trans-retinol concentration" EXACT [] is_a: CDNO:0200195 ! concentration of vitamin A in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200536 name: concentration of D3 vitamins in material entity def: "The concentration of D3 vitamins when measured in some material entity." [] synonym: "material entity D3 vitamins concentration" EXACT [] xref: USDA_NDB:1112 is_a: CDNO:0200201 ! concentration of vitamin D in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200538 name: concentration of vitamin D2 in material entity def: "The concentration of vitamin D2 when measured in some material entity." [] synonym: "material entity vitamin D2 concentration" EXACT [] is_a: CDNO:0200201 ! concentration of vitamin D in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200541 name: concentration of menadione in material entity def: "The concentration of menadione when measured in some material entity." [] synonym: "material entity menadione concentration" EXACT [] is_a: CDNO:0200214 ! concentration of vitamin K in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200542 name: concentration of menaquinone in material entity def: "The concentration of menaquinone when measured in some material entity." [] synonym: "material entity menaquinone concentration" EXACT [] xref: INFOODs:MK4 xref: INFOODs:MK5 xref: INFOODs:MK6 xref: INFOODs:MK7 xref: INFOODs:MK8 xref: INFOODs:MK9 xref: USDA_NDB:1183 is_a: CDNO:0200214 ! concentration of vitamin K in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200543 name: concentration of phylloquinone in material entity def: "The concentration of phylloquinone when measured in some material entity." [] synonym: "material entity phylloquinone concentration" EXACT [] xref: USDA_NDB:1185 is_a: CDNO:0200214 ! concentration of vitamin K in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200544 name: concentration of dietary calcium in material entity def: "The concentration of dietary calcium when measured in some material entity." [] synonym: "material entity dietary calcium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200545 name: concentration of inorganic calcium salt in material entity def: "The concentration of inorganic calcium salt when measured in some material entity." [] synonym: "material entity inorganic calcium salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200544 ! concentration of dietary calcium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200547 name: concentration of calcium carbonate in material entity def: "The concentration of calcium carbonate when measured in some material entity." [] synonym: "material entity calcium carbonate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200549 name: concentration of calcium sulfate in material entity def: "The concentration of calcium sulfate when measured in some material entity." [] synonym: "material entity calcium sulfate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200551 name: concentration of calcium hydroxide in material entity def: "The concentration of calcium hydroxide when measured in some material entity." [] synonym: "material entity calcium hydroxide concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200559 name: concentration of dietary chlorine in material entity def: "The concentration of dietary chlorine when measured in some material entity." [] synonym: "material entity dietary chlorine concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200560 name: concentration of inorganic chloride in material entity def: "The concentration of inorganic chloride when measured in some material entity." [] synonym: "material entity inorganic chloride concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity is_a: CDNO:0200175 ! concentration of salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200564 name: concentration of potassium chloride in material entity def: "The concentration of potassium chloride when measured in some material entity." [] synonym: "material entity potassium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200593 ! concentration of inorganic potassium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200565 name: concentration of lithium chloride in material entity def: "The concentration of lithium chloride when measured in some material entity." [] synonym: "material entity lithium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200566 name: concentration of organic chloride salt in material entity def: "The concentration of organic chloride salt when measured in some material entity." [] synonym: "material entity organic chloride salt concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity is_a: CDNO:0200175 ! concentration of salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200567 name: concentration of organochlorine compound in material entity def: "The concentration of organochlorine compound when measured in some material entity." [] synonym: "material entity organochlorine compound concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200568 name: concentration of hydrogen chloride in material entity def: "The concentration of hydrogen chloride when measured in some material entity." [] synonym: "material entity hydrogen chloride concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200569 name: concentration of hypochlorite in material entity def: "The concentration of hypochlorite when measured in some material entity." [] synonym: "material entity hypochlorite concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200570 name: concentration of dietary magnesium in material entity def: "The concentration of dietary magnesium when measured in some material entity." [] synonym: "material entity dietary magnesium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200571 name: concentration of inorganic magnesium salt in material entity def: "The concentration of inorganic magnesium salt when measured in some material entity." [] synonym: "material entity inorganic magnesium salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200570 ! concentration of dietary magnesium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200574 name: concentration of magnesium hydroxide in material entity def: "The concentration of magnesium hydroxide when measured in some material entity." [] synonym: "material entity magnesium hydroxide concentration" EXACT [] is_a: CDNO:0200571 ! concentration of inorganic magnesium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200578 name: concentration of dietary phosphorus in material entity def: "The concentration of dietary phosphorus when measured in some material entity." [] synonym: "material entity dietary phosphorus concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200579 name: concentration of phosphoric acid in material entity def: "The concentration of phosphoric acid when measured in some material entity." [] synonym: "material entity phosphoric acid concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200580 name: concentration of inorganic phosphate salt in material entity def: "The concentration of inorganic phosphate salt when measured in some material entity." [] synonym: "material entity inorganic phosphate salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200581 name: concentration of sodium phosphate in material entity def: "The concentration of sodium phosphate when measured in some material entity." [] synonym: "material entity sodium phosphate concentration" EXACT [] is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200592 name: concentration of dietary potassium in material entity def: "The concentration of dietary potassium when measured in some material entity." [] synonym: "material entity dietary potassium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200593 name: concentration of inorganic potassium salt in material entity def: "The concentration of inorganic potassium salt when measured in some material entity." [] synonym: "material entity inorganic potassium salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200592 ! concentration of dietary potassium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200599 name: concentration of dietary sodium in material entity def: "The concentration of dietary sodium when measured in some material entity." [] synonym: "material entity dietary sodium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200600 name: concentration of inorganic sodium salt in material entity def: "The concentration of inorganic sodium salt when measured in some material entity." [] synonym: "material entity inorganic sodium salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200599 ! concentration of dietary sodium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200603 name: concentration of sodium sulfate in material entity def: "The concentration of sodium sulfate when measured in some material entity." [] synonym: "material entity sodium sulfate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200604 name: concentration of sodium hydrogensulfite in material entity def: "The concentration of sodium hydrogensulfite when measured in some material entity." [] synonym: "material entity sodium hydrogensulfite concentration" EXACT [] is_a: CDNO:0200603 ! concentration of sodium sulfate in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200609 name: concentration of sodium fluoride in material entity def: "The concentration of sodium fluoride when measured in some material entity." [] synonym: "material entity sodium fluoride concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200610 name: concentration of sodium hydroxide in material entity def: "The concentration of sodium hydroxide when measured in some material entity." [] synonym: "material entity sodium hydroxide concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200613 name: concentration of organic sodium salt in material entity def: "The concentration of organic sodium salt when measured in some material entity." [] synonym: "material entity organic sodium salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200599 ! concentration of dietary sodium in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200619 name: concentration of dietary sulfur in material entity def: "The concentration of dietary sulfur when measured in some material entity." [] synonym: "material entity dietary sulfur concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200621 name: concentration of inorganic sulfate salt in material entity def: "The concentration of inorganic sulfate salt when measured in some material entity." [] synonym: "material entity inorganic sulfate salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200623 name: concentration of iron(2+) sulfate (anhydrous) in material entity def: "The concentration of iron(2+) sulfate (anhydrous) when measured in some material entity." [] synonym: "material entity iron(2+) sulfate (anhydrous) concentration" EXACT [] is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity is_a: CDNO:0200652 ! concentration of inorganic iron salt in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200626 name: concentration of organic sulfate in material entity def: "The concentration of organic sulfate when measured in some material entity." [] synonym: "material entity organic sulfate concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200627 name: concentration of organosulfur compound in material entity def: "The concentration of organosulfur compound when measured in some material entity." [] synonym: "material entity organosulfur compound concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200629 name: concentration of glutathione in material entity def: "The concentration of glutathione when measured in some material entity." [] synonym: "material entity glutathione concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200631 name: concentration of dimethyl sulfoxide in material entity def: "The concentration of dimethyl sulfoxide when measured in some material entity." [] synonym: "material entity dimethyl sulfoxide concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200638 name: concentration of sulfur dioxide in material entity def: "The concentration of sulfur dioxide when measured in some material entity." [] synonym: "material entity sulfur dioxide concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200642 name: concentration of dietary copper in material entity def: "The concentration of dietary copper when measured in some material entity." [] synonym: "material entity dietary copper concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200645 name: concentration of dietary fluorine in material entity def: "The concentration of dietary fluorine when measured in some material entity." [] synonym: "material entity dietary fluorine concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200651 name: concentration of dietary iron in material entity def: "The concentration of dietary iron when measured in some material entity." [] synonym: "material entity dietary iron concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200652 name: concentration of inorganic iron salt in material entity def: "The concentration of inorganic iron salt when measured in some material entity." [] synonym: "material entity inorganic iron salt concentration" EXACT [] is_a: CDNO:0200651 ! concentration of dietary iron in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200694 name: concentration of gum in material entity def: "The concentration of gum when measured in some material entity." [] synonym: "material entity gum concentration" EXACT [] xref: INFOODs:GUMS is_a: CDNO:0200006 ! concentration of polysaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200697 name: concentration of carrageenan in material entity def: "The concentration of carrageenan when measured in some material entity." [] synonym: "material entity carrageenan concentration" EXACT [] is_a: CDNO:0200626 ! concentration of organic sulfate in material entity is_a: CDNO:0200694 ! concentration of gum in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200702 name: concentration of ketose in material entity def: "The concentration of ketose when measured in some material entity." [] synonym: "material entity ketose concentration" EXACT [] is_a: CDNO:0200012 ! concentration of monosaccharide in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200703 name: concentration of ketohexose in material entity def: "The concentration of ketohexose when measured in some material entity." [] synonym: "material entity ketohexose concentration" EXACT [] is_a: CDNO:0200702 ! concentration of ketose in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200714 name: concentration of alditol in material entity def: "The concentration of alditol when measured in some material entity." [] synonym: "material entity alditol concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200731 name: concentration of curcumin in material entity def: "The concentration of curcumin when measured in some material entity." [] synonym: "material entity curcumin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity is_a: CDNO:0201038 ! concentration of diarylheptanoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200735 name: concentration of stilbenol in material entity def: "The concentration of stilbenol when measured in some material entity." [] synonym: "material entity stilbenol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity is_a: CDNO:0200258 ! concentration of stilbenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200750 name: concentration of benzenediols in material entity def: "The concentration of benzenediols when measured in some material entity." [] synonym: "material entity benzenediols concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200757 name: concentration of hydroquinone in material entity def: "The concentration of hydroquinone when measured in some material entity." [] synonym: "material entity hydroquinone concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200758 name: concentration of dopamine in material entity def: "The concentration of dopamine when measured in some material entity." [] synonym: "material entity dopamine concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200759 name: concentration of resorcinol in material entity def: "The concentration of resorcinol when measured in some material entity." [] synonym: "material entity resorcinol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200781 name: concentration of serotonin in material entity def: "The concentration of serotonin when measured in some material entity." [] synonym: "material entity serotonin concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200785 name: concentration of biphenyl-2-ol in material entity def: "The concentration of biphenyl-2-ol when measured in some material entity." [] synonym: "material entity biphenyl-2-ol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200793 name: concentration of anthoxanthin in material entity def: "The concentration of anthoxanthin when measured in some material entity." [] synonym: "material entity anthoxanthin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200794 name: concentration of flavones in material entity def: "The concentration of flavones when measured in some material entity." [] synonym: "material entity flavones concentration" EXACT [] is_a: CDNO:0200793 ! concentration of anthoxanthin in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200797 name: concentration of hydroxyflavone in material entity def: "The concentration of hydroxyflavone when measured in some material entity." [] synonym: "material entity hydroxyflavone concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200826 name: concentration of flavonols in material entity def: "The concentration of flavonols when measured in some material entity." [] synonym: "material entity flavonols concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200847 name: concentration of hydroxyflavanone in material entity def: "The concentration of hydroxyflavanone when measured in some material entity." [] synonym: "material entity hydroxyflavanone concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200856 name: concentration of equol in material entity def: "The concentration of equol when measured in some material entity." [] synonym: "material entity equol concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200899 name: concentration of resveratrol in material entity def: "The concentration of resveratrol when measured in some material entity." [] synonym: "material entity resveratrol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity is_a: CDNO:0200735 ! concentration of stilbenol in material entity is_a: CDNO:0200750 ! concentration of benzenediols in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0200957 name: concentration of diosgenin in material entity def: "The concentration of diosgenin when measured in some material entity." [] synonym: "material entity diosgenin concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0201005 name: concentration of geraniol in material entity def: "The concentration of geraniol when measured in some material entity." [] synonym: "material entity geraniol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0201006 name: concentration of all-trans-retinal in material entity def: "The concentration of all-trans-retinal when measured in some material entity." [] synonym: "material entity all-trans-retinal concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CDNO:0201038 name: concentration of diarylheptanoid in material entity def: "The concentration of diarylheptanoid when measured in some material entity." [] synonym: "material entity diarylheptanoid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:10022 name: deoxynivalenol namespace: chebi_ontology def: "A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination." [] subset: 3_STAR synonym: "3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one" EXACT IUPAC_NAME [IUPAC] synonym: "3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one" RELATED [ChemIDplus] synonym: "4-Deoxynivalenol" RELATED [ChemIDplus] synonym: "4-Desoxynivalenol" RELATED [ChemIDplus] synonym: "Dehydronivalenol" RELATED [ChemIDplus] synonym: "Desoxynivalenol" RELATED [ChemIDplus] synonym: "DON" RELATED [KEGG_COMPOUND] synonym: "Vomitoxin" RELATED [KEGG_COMPOUND] xref: CAS:51481-10-8 {source="ChemIDplus"} xref: CAS:51481-10-8 {source="KEGG COMPOUND"} xref: Chemspider:36584 xref: KEGG:C09747 xref: KNApSAcK:C00003201 xref: LIPID_MAPS_instance:LMPR0103180002 {source="LIPID MAPS"} xref: PMID:28780485 {source="Europe PMC"} xref: PMID:30284112 {source="Europe PMC"} xref: PMID:30714884 {source="Europe PMC"} xref: PMID:30760085 {source="Europe PMC"} xref: PMID:30802751 {source="Europe PMC"} xref: PMID:30806951 {source="Europe PMC"} xref: PMID:30841652 {source="Europe PMC"} xref: PMID:31394401 {source="Europe PMC"} xref: PMID:31817218 {source="Europe PMC"} xref: PMID:31867960 {source="Europe PMC"} xref: PMID:31960350 {source="Europe PMC"} xref: PMID:32218143 {source="Europe PMC"} xref: PMID:32260237 {source="Europe PMC"} xref: PMID:32560237 {source="Europe PMC"} xref: PMID:32745571 {source="Europe PMC"} xref: PMID:32805342 {source="Europe PMC"} xref: PMID:32851525 {source="Europe PMC"} xref: PMID:32880717 {source="Europe PMC"} xref: PMID:32930227 {source="Europe PMC"} xref: Wikipedia:Vomitoxin is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone is_a: CHEBI:27136 ! triol is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:51689 ! enone is_a: CHEBI:55517 ! trichothecene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H20O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LINOMUASTDIRTM-QGRHZQQGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.12599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1" xsd:string [Term] id: CHEBI:100241 name: ciprofloxacin namespace: chebi_ontology alt_id: CHEBI:102718 alt_id: CHEBI:3717 alt_id: CHEBI:41638 def: "A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively." [] subset: 3_STAR synonym: "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID" RELATED [PDBeChem] synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid" RELATED [ChEMBL] synonym: "1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid" RELATED [ChEMBL] synonym: "Ciprofloxacin" EXACT [KEGG_COMPOUND] synonym: "ciprofloxacin" EXACT [ChEMBL] synonym: "ciprofloxacin" RELATED INN [ChemIDplus] synonym: "ciprofloxacine" RELATED INN [ChemIDplus] synonym: "ciprofloxacino" RELATED INN [ChemIDplus] synonym: "ciprofloxacinum" RELATED INN [ChemIDplus] xref: Beilstein:3568352 {source="Beilstein"} xref: CAS:85721-33-1 {source="ChemIDplus"} xref: CAS:85721-33-1 {source="KEGG COMPOUND"} xref: Drug_Central:659 {source="DrugCentral"} xref: DrugBank:DB00537 xref: HMDB:HMDB0014677 xref: KEGG:C05349 xref: KEGG:D00186 xref: LINCS:LSM-5226 xref: Patent:DE3142854 xref: Patent:US4670444 xref: PDBeChem:CPF xref: PMID:10397494 {source="ChEMBL"} xref: PMID:10737746 {source="ChEMBL"} xref: Reaxys:3568352 {source="Reaxys"} xref: VSDB:1763 xref: Wikipedia:Ciprofloxacin is_a: CHEBI:23765 ! quinolone is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:36709 ! aminoquinoline is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:86324 ! quinolone antibiotic is_a: CHEBI:87211 ! fluoroquinolone antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: has_role CHEBI:53559 ! topoisomerase IV inhibitor relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:192486 ! ciprofloxacin(1+) relationship: is_tautomer_of CHEBI:192484 ! ciprofloxacin zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18FN3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.34150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.13322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" xsd:string [Term] id: CHEBI:100246 name: norfloxacin namespace: chebi_ontology alt_id: CHEBI:7629 def: "A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase." [] subset: 3_STAR synonym: "1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure" RELATED [ChemIDplus] synonym: "1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "NFLX" RELATED [KEGG_DRUG] synonym: "norfloxacin" RELATED INN [KEGG_DRUG] synonym: "norfloxacine" RELATED INN [ChemIDplus] synonym: "norfloxacino" RELATED INN [ChemIDplus] synonym: "norfloxacinum" RELATED INN [ChemIDplus] xref: Beilstein:567897 {source="Beilstein"} xref: CAS:70458-96-7 {source="ChemIDplus"} xref: CAS:70458-96-7 {source="KEGG COMPOUND"} xref: Drug_Central:1967 {source="DrugCentral"} xref: DrugBank:DB01059 xref: Gmelin:1576626 {source="Gmelin"} xref: HMDB:HMDB0015192 xref: KEGG:C06687 xref: KEGG:D00210 xref: LINCS:LSM-5286 xref: Patent:BE863429 xref: Patent:DE2840910 xref: Patent:US4146719 xref: Patent:US4292317 xref: PMID:3317294 {source="Europe PMC"} xref: PMID:3908074 {source="Europe PMC"} xref: PMID:6211142 {source="Europe PMC"} xref: PMID:6224685 {source="Europe PMC"} xref: PMID:6234465 {source="Europe PMC"} xref: PMID:6454381 {source="Europe PMC"} xref: PMID:6461606 {source="Europe PMC"} xref: Reaxys:567897 {source="Reaxys"} xref: VSDB:1831 xref: Wikipedia:Norfloxacin is_a: CHEBI:23765 ! quinolone is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:86324 ! quinolone antibiotic is_a: CHEBI:87211 ! fluoroquinolone antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H18FN3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGJPXUAPXNRGGI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "319.33080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.13322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1" xsd:string [Term] id: CHEBI:10033 name: warfarin namespace: chebi_ontology def: "A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice." [] subset: 3_STAR synonym: "(+/-)-Warfarin" RELATED [NIST_Chemistry_WebBook] synonym: "(Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarine" RELATED [ChemIDplus] synonym: "(RS)-Warfarin" RELATED [NIST_Chemistry_WebBook] synonym: "1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone" RELATED [ChemIDplus] synonym: "2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-" RELATED [ChemIDplus] synonym: "3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin" RELATED [ChemIDplus] synonym: "3-(Acetonylbenzyl)-4-hydroxycoumarin" RELATED [NIST_Chemistry_WebBook] synonym: "3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin" RELATED [NIST_Chemistry_WebBook] synonym: "3-(alpha-Phenyl-beta-acetylaethyl)-4-hydroxycumarin" RELATED [ChemIDplus] synonym: "3-(alpha-Phenyl-beta-acetylethyl)-4-hydroxycoumarin" RELATED [ChemIDplus] synonym: "4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin" RELATED [ChemIDplus] synonym: "4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin" RELATED [ChEBI] synonym: "Coumafene" RELATED [ChemIDplus] synonym: "DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin" RELATED [NIST_Chemistry_WebBook] synonym: "DL-warfarin" RELATED [ChEBI] synonym: "rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "rac-warfarin" RELATED [ChEBI] synonym: "racemic warfarin" RELATED [ChEBI] synonym: "Warf 10" RELATED BRAND_NAME [DrugBank] synonym: "warfarin" RELATED INN [ChemIDplus] synonym: "warfarina" RELATED INN [ChemIDplus] synonym: "warfarine" RELATED INN [ChemIDplus] synonym: "warfarinum" RELATED INN [ChemIDplus] synonym: "Zoocoumarin" RELATED [ChemIDplus] xref: Beilstein:1293536 {source="Beilstein"} xref: CAS:81-81-2 {source="KEGG COMPOUND"} xref: CAS:81-81-2 {source="ChemIDplus"} xref: CAS:81-81-2 {source="NIST Chemistry WebBook"} xref: DrugBank:DB00682 xref: HMDB:HMDB0001935 xref: KEGG:C01541 xref: KEGG:D08682 xref: Patent:US2427578 xref: Patent:US2765321 xref: Patent:US2777859 xref: Patent:US3239529 xref: PMID:13358873 {source="Europe PMC"} xref: PMID:15578879 {source="Europe PMC"} xref: PMID:18294321 {source="Europe PMC"} xref: PMID:19294412 {source="Europe PMC"} xref: PMID:24478171 {source="Europe PMC"} xref: PMID:24973057 {source="Europe PMC"} xref: PMID:25022924 {source="Europe PMC"} xref: PMID:25023204 {source="Europe PMC"} xref: PMID:25393417 {source="Europe PMC"} xref: PMID:25466603 {source="Europe PMC"} xref: PMID:25534862 {source="Europe PMC"} xref: PMID:25537751 {source="Europe PMC"} xref: PMID:25555316 {source="Europe PMC"} xref: PMID:25683623 {source="Europe PMC"} xref: PMID:25757926 {source="Europe PMC"} xref: PMID:25823787 {source="Europe PMC"} xref: PMID:25828628 {source="Europe PMC"} xref: PMID:25830869 {source="Europe PMC"} xref: PMID:25842804 {source="Europe PMC"} xref: PMID:25845131 {source="Europe PMC"} xref: PMID:25986145 {source="Europe PMC"} xref: PMID:26114209 {source="Europe PMC"} xref: PMID:26142522 {source="Europe PMC"} xref: PMID:26142525 {source="Europe PMC"} xref: PMID:26203765 {source="Europe PMC"} xref: PMID:26238769 {source="Europe PMC"} xref: Reaxys:1293536 {source="Reaxys"} xref: Wikipedia:Warfarin is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:87737 ! (R)-warfarin relationship: has_part CHEBI:87738 ! (S)-warfarin relationship: has_role CHEBI:33288 ! rodenticide relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50390 ! EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor relationship: has_role CHEBI:55347 ! vitamin K antagonist relationship: is_conjugate_acid_of CHEBI:50393 ! warfarin(1-) [Term] id: CHEBI:10119 name: ziprasidone namespace: chebi_ontology def: "A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms." [] subset: 3_STAR synonym: "5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "ziprasidona" RELATED INN [ChEBI] synonym: "Ziprasidone" EXACT [KEGG_COMPOUND] synonym: "ziprasidone" RELATED INN [ChEBI] synonym: "ziprasidone" RELATED INN [KEGG_DRUG] synonym: "ziprasidonum" RELATED INN [ChEBI] xref: Beilstein:6669199 {source="Beilstein"} xref: CAS:146939-27-7 {source="ChemIDplus"} xref: CAS:146939-27-7 {source="DrugBank"} xref: CAS:146939-27-7 {source="KEGG DRUG"} xref: Drug_Central:2865 {source="DrugCentral"} xref: DrugBank:DB00246 xref: KEGG:C07568 xref: KEGG:D08687 xref: LINCS:LSM-5433 xref: Patent:EP281309 xref: Patent:US4831031 xref: Wikipedia:Ziprasidone is_a: CHEBI:24829 ! indolones is_a: CHEBI:26144 ! piperazines is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:55505 ! 1,2-benzisothiazole relationship: has_role CHEBI:35476 ! antipsychotic agent relationship: has_role CHEBI:37956 ! histamine antagonist relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H21ClN4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MVWVFYHBGMAFLY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "412.93600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "412.11246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12" xsd:string [Term] id: CHEBI:101278 name: diltiazem namespace: chebi_ontology alt_id: CHEBI:4602 def: "A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension." [] subset: 3_STAR synonym: "(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester" RELATED [ChEBI] synonym: "(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate" RELATED [ChEMBL] synonym: "(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one" RELATED [ChEBI] synonym: "Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester" RELATED [ChEMBL] synonym: "D-cis-diltiazem" RELATED [ChEBI] synonym: "d-cis-diltiazem" RELATED [ChEBI] synonym: "diltiazem" RELATED INN [WHO_MedNet] synonym: "diltiazem" RELATED INN [ChemIDplus] synonym: "diltiazemum" RELATED INN [ChemIDplus] xref: Beilstein:3573079 {source="Beilstein"} xref: CAS:42399-41-7 {source="ChemIDplus"} xref: CAS:42399-41-7 {source="NIST Chemistry WebBook"} xref: CAS:42399-41-7 {source="KEGG COMPOUND"} xref: Drug_Central:897 {source="DrugCentral"} xref: DrugBank:DB00343 xref: HMDB:HMDB0014487 xref: KEGG:C06958 xref: KEGG:D07845 xref: LINCS:LSM-2523 xref: Patent:DE1805714 xref: Patent:DE3415035 xref: Patent:US3562257 xref: Patent:US4552695 xref: PMID:11937779 {source="Europe PMC"} xref: PMID:16651034 {source="Europe PMC"} xref: PMID:19167257 {source="Europe PMC"} xref: PMID:23687551 {source="Europe PMC"} xref: PMID:24261918 {source="Europe PMC"} xref: PMID:25122162 {source="Europe PMC"} xref: PMID:8369596 {source="Europe PMC"} xref: Reaxys:3573079 {source="Reaxys"} xref: VSDB:1863 xref: Wikipedia:Diltiazem is_a: CHEBI:82814 ! 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: is_conjugate_base_of CHEBI:82812 ! diltiazem(1+) relationship: is_enantiomer_of CHEBI:82813 ! ent-diltiazem property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H26N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.51800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.16133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O" xsd:string [Term] id: CHEBI:102166 name: thiopental namespace: chebi_ontology alt_id: CHEBI:9560 def: "A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups." [] subset: 3_STAR synonym: "(+-)-thiopental" RELATED [ChemIDplus] synonym: "2-Thio-5-ethyl-5-sec-pentylbarbituric acid" RELATED [ChemIDplus] synonym: "5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione" RELATED [ChEMBL] synonym: "5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Penthiobarbital" RELATED [ChemIDplus] synonym: "Pentothiobarbital" RELATED [ChemIDplus] synonym: "Thiopental" EXACT [KEGG_COMPOUND] synonym: "Thiopentobarbital" RELATED [ChemIDplus] synonym: "Thiopentobarbitone" RELATED [ChemIDplus] synonym: "Thiopentobarbituric acid" RELATED [ChemIDplus] synonym: "Thiopentone" RELATED [ChemIDplus] xref: Beilstein:209361 {source="Beilstein"} xref: CAS:76-75-5 {source="ChemIDplus"} xref: CAS:76-75-5 {source="KEGG COMPOUND"} xref: Drug_Central:2633 {source="DrugCentral"} xref: DrugBank:DB00599 xref: KEGG:C07521 xref: PMID:10666006 {source="Europe PMC"} xref: PMID:10841799 {source="ChEMBL"} xref: PMID:15857133 {source="ChEMBL"} xref: PMID:16166909 {source="Europe PMC"} xref: PMID:16897573 {source="Europe PMC"} xref: PMID:18484074 {source="Europe PMC"} xref: PMID:20488867 {source="Europe PMC"} xref: PMID:2215478 {source="Europe PMC"} xref: PMID:23305916 {source="Europe PMC"} xref: PMID:23422796 {source="Europe PMC"} xref: PMID:23490495 {source="Europe PMC"} xref: PMID:23542731 {source="Europe PMC"} xref: PMID:23644730 {source="Europe PMC"} xref: PMID:23879844 {source="Europe PMC"} xref: PMID:3654008 {source="Europe PMC"} xref: PMID:6864729 {source="ChEMBL"} xref: PMID:9171876 {source="ChEMBL"} xref: PMID:9699097 {source="Europe PMC"} xref: Reaxys:209361 {source="Reaxys"} is_a: CHEBI:22693 ! barbiturates relationship: has_functional_parent CHEBI:33202 ! 2-thiobarbituric acid relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35717 ! sedative relationship: has_role CHEBI:38877 ! intravenous anaesthetic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:61485 ! thiopental(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H18N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.33800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.10890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O" xsd:string [Term] id: CHEBI:102265 name: sulfamethazine namespace: chebi_ontology def: "A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position." [] subset: 3_STAR synonym: "(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin" RELATED [ChEBI] synonym: "2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" RELATED [ChemIDplus] synonym: "2-Sulfanilamido-4,6-dimethylpyrimidine" RELATED [ChemIDplus] synonym: "4,6-Dimethyl-2-sulfanilamidopyrimidine" RELATED [ChemIDplus] synonym: "4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide" RELATED [ChemIDplus] synonym: "4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide" RELATED [ChEMBL] synonym: "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" RELATED [ChEMBL] synonym: "6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin" RELATED [ChemIDplus] synonym: "N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide" RELATED [NIST_Chemistry_WebBook] synonym: "N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide" RELATED [NIST_Chemistry_WebBook] synonym: "N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide" RELATED [NIST_Chemistry_WebBook] synonym: "SMZ" RELATED [ChEBI] synonym: "Sulfadimethyldiazine" RELATED [ChemIDplus] synonym: "Sulfadimethylpyrimidine" RELATED [ChemIDplus] synonym: "sulfadimidina" RELATED INN [ChemIDplus] synonym: "sulfadimidine" RELATED INN [KEGG_DRUG] synonym: "sulfadimidinum" RELATED INN [ChemIDplus] synonym: "Sulfametazina" RELATED [ChemIDplus] synonym: "Sulfametazyny" RELATED [ChemIDplus] synonym: "sulfamethazone" RELATED [ChEBI] synonym: "Sulfamezathine" RELATED [ChemIDplus] synonym: "Sulphadimethylpyrimidine" RELATED [ChemIDplus] synonym: "Sulphamethazine" RELATED [ChemIDplus] xref: Beilstein:261304 {source="Beilstein"} xref: CAS:57-68-1 {source="ChemIDplus"} xref: CAS:57-68-1 {source="NIST Chemistry WebBook"} xref: CAS:57-68-1 {source="KEGG COMPOUND"} xref: Drug_Central:2502 {source="DrugCentral"} xref: DrugBank:DB01582 xref: Gmelin:1009759 {source="Gmelin"} xref: HMDB:HMDB0015522 xref: KEGG:C19530 xref: KEGG:D02436 xref: LINCS:LSM-5295 xref: Patent:EP1861101 xref: Patent:GB546158 xref: Patent:GB552887 xref: Patent:US2407966 xref: Patent:US3119818 xref: Patent:WO2005016386 xref: PMID:11431418 {source="Europe PMC"} xref: PMID:14552772 {source="ChEMBL"} xref: PMID:15603963 {source="ChEMBL"} xref: PMID:17311370 {source="ChEMBL"} xref: PMID:17596632 {source="Europe PMC"} xref: PMID:20028131 {source="Europe PMC"} xref: PMID:22903812 {source="Europe PMC"} xref: PMID:23218311 {source="Europe PMC"} xref: PMID:23384282 {source="Europe PMC"} xref: PMID:23434485 {source="Europe PMC"} xref: PMID:23454458 {source="Europe PMC"} xref: PMID:23562141 {source="Europe PMC"} xref: PMID:23636590 {source="Europe PMC"} xref: PMID:23673752 {source="Europe PMC"} xref: PMID:23673946 {source="Europe PMC"} xref: PMID:23704574 {source="Europe PMC"} xref: PMID:6864729 {source="ChEMBL"} xref: PMID:7021831 {source="ChEMBL"} xref: PMID:7328159 {source="Europe PMC"} xref: PMID:8199304 {source="Europe PMC"} xref: PMID:9886437 {source="Europe PMC"} xref: Reaxys:261304 {source="Reaxys"} xref: VSDB:1829 xref: Wikipedia:Sulfadimidine is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:50502 ! EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:52214 ! ligand relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14N4O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.33000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.08375" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1" xsd:string [Term] id: CHEBI:10319 name: 1-naphthol namespace: chebi_ontology def: "A naphthol carrying a hydroxy group at position 1." [] subset: 3_STAR synonym: "1-hydroxynaphthalene" RELATED [HMDB] synonym: "1-naphthalenol" RELATED [NIST_Chemistry_WebBook] synonym: "1-Naphthol" EXACT [KEGG_COMPOUND] synonym: "1-naphthol" EXACT [UniProt] synonym: "alpha-hydroxynaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Naphthol" RELATED [KEGG_COMPOUND] synonym: "alpha-naphthol" RELATED [NIST_Chemistry_WebBook] synonym: "naphthalen-1-ol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1817321 {source="Beilstein"} xref: CAS:90-15-3 {source="KEGG COMPOUND"} xref: CAS:90-15-3 {source="ChemIDplus"} xref: CAS:90-15-3 {source="NIST Chemistry WebBook"} xref: Gmelin:69192 {source="Gmelin"} xref: HMDB:HMDB0012138 xref: KEGG:C11714 xref: MetaCyc:NAPHTHOL xref: PDBeChem:1NP xref: PMID:16721410 {source="Europe PMC"} xref: PMID:18966375 {source="Europe PMC"} xref: PMID:22740618 {source="Europe PMC"} xref: Reaxys:1817321 {source="Reaxys"} xref: Wikipedia:1-Naphthol is_a: CHEBI:35682 ! naphthol relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KJCVRFUGPWSIIH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.16992" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cccc2ccccc12" xsd:string [Term] id: CHEBI:10432 name: 2-naphthol namespace: chebi_ontology def: "A naphthol carrying a hydroxy group at position 2." [] subset: 3_STAR synonym: "2-hydroxynaphthalene" RELATED [HMDB] synonym: "2-Naftol" RELATED [ChemIDplus] synonym: "2-naftolo" RELATED [ChemIDplus] synonym: "2-naphthalenol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Naphthol" EXACT [KEGG_COMPOUND] synonym: "2-naphthol" EXACT [UniProt] synonym: "2-naphtol" RELATED [ChemIDplus] synonym: "Antioxygene BN" RELATED BRAND_NAME [HMDB] synonym: "Azogen Developer A" RELATED BRAND_NAME [HMDB] synonym: "beta-hydroxynaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "beta-hydroxynaphthalene" RELATED [ChemIDplus] synonym: "beta-Naftol" RELATED [ChemIDplus] synonym: "beta-naftolo" RELATED [ChemIDplus] synonym: "beta-Naphthol" RELATED [KEGG_COMPOUND] synonym: "beta-naphthol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-naphthyl alcohol" RELATED [ChemIDplus] synonym: "beta-naphthyl hydroxide" RELATED [ChemIDplus] synonym: "beta-Naphtol" RELATED [ChemIDplus] synonym: "C.I. Azoic Coupling Component 1" RELATED BRAND_NAME [ChemIDplus] synonym: "C.I. Developer 5" RELATED BRAND_NAME [ChemIDplus] synonym: "Developer A" RELATED BRAND_NAME [ChemIDplus] synonym: "Developer AMS" RELATED BRAND_NAME [ChemIDplus] synonym: "Developer BN" RELATED BRAND_NAME [ChemIDplus] synonym: "Isonaphthol" RELATED [ChemIDplus] synonym: "naphthalen-2-ol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:742134 {source="Beilstein"} xref: CAS:135-19-3 {source="NIST Chemistry WebBook"} xref: CAS:135-19-3 {source="ChemIDplus"} xref: CAS:135-19-3 {source="KEGG COMPOUND"} xref: Drug_Central:3370 {source="DrugCentral"} xref: FooDB:FDB000877 xref: Gmelin:27395 {source="Gmelin"} xref: HMDB:HMDB0012322 xref: KEGG:C11713 xref: MetaCyc:CPD-8131 xref: PDBeChem:03V xref: PMID:13386410 {source="Europe PMC"} xref: PMID:14751800 {source="Europe PMC"} xref: PMID:18515997 {source="Europe PMC"} xref: PMID:18856458 {source="Europe PMC"} xref: PMID:20260560 {source="Europe PMC"} xref: PMID:22069470 {source="Europe PMC"} xref: PMID:22740618 {source="Europe PMC"} xref: PMID:23344974 {source="Europe PMC"} xref: PMID:29987264 {source="Europe PMC"} xref: PMID:30572877 {source="Europe PMC"} xref: PMID:30828382 {source="Europe PMC"} xref: PMID:32206945 {source="Europe PMC"} xref: PMID:33862438 {source="Europe PMC"} xref: PMID:34033865 {source="Europe PMC"} xref: Reaxys:742134 {source="Reaxys"} xref: Wikipedia:2-Naphthol is_a: CHEBI:35682 ! naphthol relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWAZRIHNYRIHIV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC2=CC=CC=C2C=C1" xsd:string [Term] id: CHEBI:10545 name: electron namespace: chebi_ontology def: "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." [] subset: 3_STAR synonym: "beta" RELATED [IUPAC] synonym: "beta(-)" RELATED [ChEBI] synonym: "beta-particle" RELATED [IUPAC] synonym: "e" RELATED [IUPAC] synonym: "e(-)" RELATED [UniProt] synonym: "e-" RELATED [KEGG_COMPOUND] synonym: "electron" EXACT [KEGG_COMPOUND] synonym: "electron" EXACT IUPAC_NAME [IUPAC] synonym: "electron" EXACT [ChEBI] synonym: "Elektron" RELATED [ChEBI] synonym: "negatron" RELATED [IUPAC] xref: KEGG:C05359 xref: PMID:21614077 "Europe PMC" xref: PMID:21614077 {source="Europe PMC"} xref: Wikipedia:Electron is_a: CHEBI:36338 ! lepton property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.000548579903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string [Term] id: CHEBI:10588 name: 1-(3-chlorophenyl)piperazine namespace: chebi_ontology def: "A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone." [] subset: 3_STAR synonym: "(m-CPP)" RELATED [HMDB] synonym: "1-(3-Chlorophenyl)piperazine" EXACT [KEGG_COMPOUND] synonym: "1-(3-chlorophenyl)piperazine" EXACT IUPAC_NAME [IUPAC] synonym: "m-Chlorophenylpiperazine" RELATED [KEGG_COMPOUND] xref: Beilstein:8409 {source="Beilstein"} xref: CAS:6640-24-0 {source="ChemIDplus"} xref: CAS:6640-24-0 {source="KEGG COMPOUND"} xref: HMDB:HMDB0061008 xref: KEGG:C11738 xref: LINCS:LSM-25627 xref: PMID:11311791 {source="Europe PMC"} xref: PMID:18621591 {source="Europe PMC"} xref: PMID:23768699 {source="Europe PMC"} xref: PMID:24062697 {source="Europe PMC"} xref: PMID:6827905 {source="Europe PMC"} xref: Reaxys:8409 {source="Reaxys"} xref: Wikipedia:Meta-Chlorophenylpiperazine is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35941 ! serotonergic agonist relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13ClN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHFVKMTVMIZMIK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.67640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.07673" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(c1)N1CCNCC1" xsd:string [Term] id: CHEBI:10589 name: m-toluic acid namespace: chebi_ontology def: "A methylbenzoic acid carrying a methyl substituent at position 3." [] subset: 3_STAR synonym: "3-methylbenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-toluic acid" RELATED [ChemIDplus] synonym: "beta-Bethylbenzoic acid" RELATED [KEGG_COMPOUND] synonym: "beta-Methylbenzoic acid" RELATED [ChemIDplus] synonym: "m-Toluic Acid" EXACT [KEGG_COMPOUND] synonym: "m-Toluylic acid" RELATED [KEGG_COMPOUND] synonym: "meta-Toluic acid" RELATED [ChemIDplus] xref: Beilstein:970526 {source="Beilstein"} xref: CAS:99-04-7 {source="ChemIDplus"} xref: CAS:99-04-7 {source="KEGG COMPOUND"} xref: KEGG:C07211 xref: MetaCyc:CPD-8775 xref: PMID:11339298 {source="Europe PMC"} xref: PMID:11470206 {source="Europe PMC"} xref: PMID:22251573 {source="Europe PMC"} xref: PMID:22451532 {source="Europe PMC"} xref: PMID:2489427 {source="Europe PMC"} xref: Reaxys:970526 {source="Reaxys"} xref: Wikipedia:M-Toluic_acid is_a: CHEBI:25280 ! methylbenzoic acid relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:28795 ! m-toluate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GPSDUZXPYCFOSQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.14790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(c1)C(O)=O" xsd:string [Term] id: CHEBI:10615 name: omega-hydroxy fatty acid namespace: chebi_ontology def: "Any member of the class of naturally-occurring straight-chain fatty acids n carbon atoms long with a carboxyl group at position 1 and a hydroxyl at position n (omega)." [] subset: 3_STAR synonym: "omega-Hydroxy fatty acid" EXACT [KEGG_COMPOUND] synonym: "omega-hydroxy fatty acids" RELATED [ChEBI] xref: KEGG:C03547 xref: PMID:13771448 {source="Europe PMC"} xref: PMID:16660004 {source="Europe PMC"} is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24654 ! hydroxy fatty acid relationship: is_conjugate_acid_of CHEBI:76307 ! omega-hydroxy fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3(CH2)n" xsd:string [Term] id: CHEBI:10642 name: scyllo-inositol namespace: chebi_ontology alt_id: CHEBI:26614 subset: 3_STAR synonym: "(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "1,3,5/2,4,6-cyclohexanehexol" RELATED [IUPAC] synonym: "Cocositol" RELATED [NIST_Chemistry_WebBook] synonym: "Quercinitol" RELATED [ChemIDplus] synonym: "Scyllitol" RELATED [ChemIDplus] synonym: "scyllo-Inositol" EXACT [KEGG_COMPOUND] synonym: "scyllo-inositol" EXACT IUPAC_NAME [IUPAC] synonym: "scyllo-inositol" EXACT [UniProt] xref: Beilstein:2206312 {source="Beilstein"} xref: CAS:488-59-5 {source="ChemIDplus"} xref: CAS:488-59-5 {source="NIST Chemistry WebBook"} xref: CAS:488-59-5 {source="KEGG COMPOUND"} xref: Gmelin:561300 {source="Gmelin"} xref: KEGG:C06153 xref: PMID:24352657 {source="Europe PMC"} xref: Reaxys:2206312 {source="Reaxys"} is_a: CHEBI:24848 ! inositol relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CDAISMWEOUEBRE-CDRYSYESSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:107736 name: metoclopramide namespace: chebi_ontology alt_id: CHEBI:6898 def: "A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine." [] subset: 3_STAR synonym: "2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide" RELATED [ChemIDplus] synonym: "2-methoxy-5-chloroprocainamide" RELATED [ChemIDplus] synonym: "4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide" RELATED [ChemIDplus] synonym: "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide" RELATED [ChEMBL] synonym: "4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide" RELATED [ChemIDplus] synonym: "4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Elieten" RELATED BRAND_NAME [DrugBank] synonym: "metoclopramida" RELATED INN [ChemIDplus] synonym: "metoclopramide" RELATED INN [ChemIDplus] synonym: "metoclopramidum" RELATED INN [ChemIDplus] synonym: "Reliveran" RELATED BRAND_NAME [DrugBank] xref: CAS:364-62-5 {source="ChemIDplus"} xref: CAS:364-62-5 {source="KEGG DRUG"} xref: Drug_Central:1782 {source="DrugCentral"} xref: DrugBank:DB01233 xref: HMDB:HMDB0015363 xref: KEGG:C07868 xref: KEGG:D00726 xref: LINCS:LSM-3689 xref: Patent:BE620543 xref: Patent:US3177252 xref: Reaxys:1884366 {source="Reaxys"} xref: VSDB:1821 xref: Wikipedia:Metoclopramide is_a: CHEBI:22702 ! benzamides is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:55324 ! gastrointestinal drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:61170 ! metoclopramide(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TTWJBBZEZQICBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.79600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.14005" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC" xsd:string [Term] id: CHEBI:113451 name: sodium ascorbate def: "An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion." [] comment: LanguaL term definition: Food additive; technological purpose(s): antioxidant. xref: Codex:\:301 xref: Europe:\:301 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3244 is_a: CHEBI:176783 ! vitamin C is_a: CHEBI:38700 ! organic sodium salt is_a: FOODON:03412972 ! food additive property_value: hasSynonym "sodium l-ascorbate" xsd:string property_value: IAO:0000118 "sodium ascorbate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:115196 name: 2-hydroxybenzothiazole namespace: chebi_ontology def: "Benzothiazole substituted with a hydroxy group at the 2-position." [] subset: 3_STAR synonym: "(2-mercatophenyl)carbamothioic acid gamma-lactone" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-benzothiazol-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2(3H)-Benzothiazolone" RELATED [ChemIDplus] synonym: "2-Benzothiazolol" RELATED [ChemIDplus] synonym: "2-Benzothiazolone" RELATED [ChemIDplus] synonym: "2-hydroxy-1,3-benzothiazole" RELATED [ChEBI] synonym: "3H-Benzothiazol-2-one" RELATED [ChEMBL] synonym: "HBT" RELATED [ChEBI] synonym: "HOBT" RELATED [ChEBI] xref: Beilstein:742522 {source="Beilstein"} xref: CAS:934-34-9 {source="NIST Chemistry WebBook"} xref: CAS:934-34-9 {source="ChemIDplus"} xref: PMID:15750776 {source="Europe PMC"} xref: PMID:18568896 {source="Europe PMC"} xref: PMID:23224221 {source="Europe PMC"} xref: PMID:9544213 {source="ChEMBL"} xref: Reaxys:742522 {source="Reaxys"} is_a: CHEBI:45993 ! benzothiazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YEDUAINPPJYDJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.18600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.00918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1nc2ccccc2s1" xsd:string [Term] id: CHEBI:116509 name: diuron namespace: chebi_ontology def: "A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group." [] subset: 3_STAR synonym: "1,1-dimethyl-3-(3,4-dichlorophenyl)urea" RELATED [ChemIDplus] synonym: "1-(3,4-dichlorophenyl)-3,3-dimethylurea" RELATED [ChemIDplus] synonym: "1-(3,4-dichlorophenyl)-3,3-dimethyluree" RELATED [ChemIDplus] synonym: "3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff" RELATED [ChemIDplus] synonym: "3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea" RELATED [ChEMBL] synonym: "3-(3,4-dichlorophenyl)-1,1-dimethylurea" EXACT IUPAC_NAME [IUPAC] synonym: "DCMU" RELATED [ChEBI] synonym: "diuron" EXACT [UniProt] synonym: "N'-(3,4-dichlorophenyl)-N,N-dimethylurea" RELATED [ChemIDplus] synonym: "N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea" RELATED [ChemIDplus] synonym: "N-(3,4-dichlorophenyl)-N',N'-dimethylurea" RELATED [ChemIDplus] xref: CAS:330-54-1 {source="NIST Chemistry WebBook"} xref: CAS:330-54-1 {source="ChemIDplus"} xref: CAS:330-54-1 {source="KEGG COMPOUND"} xref: KEGG:C18428 xref: LINCS:LSM-25609 xref: MetaCyc:CPD-16775 xref: Patent:CN103120180 xref: Patent:CN103125511 xref: Patent:US2768971 xref: Pesticides:diuron {source="Alan Wood's Pesticides"} xref: PMID:10866370 {source="ChEMBL"} xref: PMID:17142046 {source="ChEMBL"} xref: PMID:17449247 {source="ChEMBL"} xref: PMID:23081760 {source="Europe PMC"} xref: PMID:33400299 {source="Europe PMC"} xref: PPDB:260 xref: Reaxys:2215168 {source="Reaxys"} xref: Wikipedia:Diuron is_a: CHEBI:157693 ! 3-(3,4-substituted-phenyl)-1,1-dimethylurea is_a: CHEBI:23697 ! dichlorobenzene relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor relationship: has_role CHEBI:26089 ! photosystem-II inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMTQQYYKAHVGBJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.09500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.01702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:119915 name: fentanyl namespace: chebi_ontology alt_id: CHEBI:310077 alt_id: CHEBI:5012 def: "A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid." [] subset: 3_STAR synonym: "1-phenethyl-4-(N-phenylpropionamido)piperidine" RELATED [ChemIDplus] synonym: "1-phenethyl-4-N-propionylanilinopiperidine" RELATED [ChemIDplus] synonym: "Duragesic" RELATED BRAND_NAME [ChemIDplus] synonym: "fentanilo" RELATED INN [WHO_MedNet] synonym: "fentanyl" RELATED INN [WHO_MedNet] synonym: "fentanylum" RELATED INN [WHO_MedNet] synonym: "N-(1-phenethyl-4-piperidinyl)-N-phenylpropionamide" RELATED [ChemIDplus] synonym: "N-(1-phenethyl-4-piperidyl)propionanilide" RELATED [ChemIDplus] synonym: "N-(1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide" RELATED [ChEMBL] synonym: "N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide" RELATED [ChEMBL] synonym: "N-phenethyl-4-(N-propionylanilino)piperidine" RELATED [ChemIDplus] synonym: "N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide" RELATED [ChemIDplus] synonym: "N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide" EXACT IUPAC_NAME [IUPAC] synonym: "phentanyl" RELATED [DrugBank] xref: CAS:437-38-7 {source="KEGG DRUG"} xref: CAS:437-38-7 {source="ChemIDplus"} xref: Drug_Central:1164 {source="DrugCentral"} xref: DrugBank:DB00813 xref: KEGG:D00320 xref: Patent:FR1344366 xref: Patent:US3164600 xref: PMID:10669565 {source="ChEMBL"} xref: PMID:10987438 {source="ChEMBL"} xref: PMID:11585443 {source="ChEMBL"} xref: PMID:14698188 {source="ChEMBL"} xref: PMID:16621415 {source="Europe PMC"} xref: PMID:18462178 {source="Europe PMC"} xref: PMID:18728103 {source="Europe PMC"} xref: PMID:30176422 {source="Europe PMC"} xref: PMID:30305277 {source="Europe PMC"} xref: Reaxys:494484 {source="Reaxys"} xref: VSDB:1864 xref: Wikipedia:Fentanyl is_a: CHEBI:13248 ! anilide is_a: CHEBI:26151 ! piperidines is_a: CHEBI:29347 ! monocarboxylic acid amide relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:38877 ! intravenous anaesthetic relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:60807 ! anaesthesia adjuvant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H28N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJMPHNIQZUBGLI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "336.47050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "336.22016" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(=O)N(C1CCN(CC1)CCc1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:1224 name: 2-nitrofluorene namespace: chebi_ontology def: "A nitroarene that is fluorene substituted by a nitro group at position 2." [] subset: 3_STAR synonym: "2-nitro-9H-fluorene" EXACT IUPAC_NAME [IUPAC] synonym: "2-Nitrofluorene" EXACT [KEGG_COMPOUND] synonym: "NF" RELATED [KEGG_COMPOUND] synonym: "Nitrofluorene" RELATED [ChemIDplus] xref: Beilstein:1877983 {source="Beilstein"} xref: CAS:607-57-8 {source="KEGG COMPOUND"} xref: CAS:607-57-8 {source="ChemIDplus"} xref: CAS:607-57-8 {source="NIST Chemistry WebBook"} xref: KEGG:C10923 xref: LINCS:LSM-37230 xref: PMID:10366768 {source="Europe PMC"} xref: PMID:23128813 {source="Europe PMC"} xref: Reaxys:1877983 {source="Reaxys"} xref: Wikipedia:2-Nitrofluorene is_a: CHEBI:51132 ! nitroarene relationship: has_functional_parent CHEBI:28266 ! fluorene relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XFOHWECQTFIEIX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.21610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc-2c(Cc3ccccc-23)c1" xsd:string [Term] id: CHEBI:127342 name: atomoxetine namespace: chebi_ontology def: "A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents." [] subset: 3_STAR synonym: "(-)-Tomoxetine" RELATED [ChEBI] synonym: "(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "atomoxetine" RELATED INN [KEGG_DRUG] synonym: "Tomoxetina" RELATED [DrugBank] synonym: "tomoxetine" RELATED INN [DrugBank] synonym: "Tomoxetinum" RELATED [DrugBank] xref: Beilstein:4318684 {source="Beilstein"} xref: CAS:83015-26-3 {source="ChemIDplus"} xref: CAS:83015-26-3 {source="KEGG DRUG"} xref: Drug_Central:256 {source="DrugCentral"} xref: DrugBank:DB00289 xref: HMDB:HMDB0014434 xref: KEGG:D07473 xref: LINCS:LSM-2452 xref: PMID:15338851 {source="Europe PMC"} xref: PMID:23048018 {source="Europe PMC"} xref: Reaxys:4318684 {source="Reaxys"} xref: Wikipedia:Atomoxetine is_a: CHEBI:27024 ! toluenes is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHGCDTVCOLNTBX-QGZVFWFLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.35470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.16231" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCC[C@@H](Oc1ccccc1C)c1ccccc1" xsd:string [Term] id: CHEBI:12777 name: vitamin A namespace: chebi_ontology def: "Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication." [] subset: 3_STAR synonym: "vitamin A vitamer" RELATED [ChEBI] synonym: "vitamin A vitamers" RELATED [ChEBI] synonym: "vitamin-A" RELATED [ChEBI] synonym: "vitamins A" RELATED [ChEBI] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3750 xref: MetaCyc:Vitamin-A xref: Wikipedia:Vitamin_A is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:26537 ! retinoid is_a: FOODON:03413751 ! food supplements, vitamin substances (ec) relationship: has_role CHEBI:24020 ! fat-soluble vitamin (role) relationship: has_role CHEBI:25212 ! metabolite property_value: IAO:0000118 "vitamin a" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:131401 name: hexopyranosyl hexopyranoside namespace: chebi_ontology def: "A disaccharide formed by a (1<->1)-glycosidic bond between two hexopyranose units." [] subset: 3_STAR synonym: "hexopyranosyl hexopyranoside" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24407 ! glycosyl glycoside [Term] id: CHEBI:131565 name: steroid aldehyde namespace: chebi_ontology def: "Any steroid substituted by a formyl group." [] subset: 3_STAR synonym: "steroid aldehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:131604 name: Mycoplasma genitalium metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium." [] subset: 3_STAR synonym: "Mycoplasma genitalium metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:131619 name: C27-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 27-carbon (cholestane) skeleton." [] subset: 3_STAR synonym: "C27-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35516 ! cholestane [Term] id: CHEBI:131621 name: C19-steroid namespace: chebi_ontology def: "A steroid compound with a structure based on a 19-carbon (androstane) skeleton." [] subset: 3_STAR synonym: "C19-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35509 ! androstane [Term] id: CHEBI:131699 name: EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor namespace: chebi_ontology def: "A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7)." [] subset: 3_STAR synonym: "deoxynucleate polymerase inhibitor" RELATED [ChEBI] synonym: "deoxynucleate polymerase inhibitors" RELATED [ChEBI] synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleate nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleate nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic acid duplicase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic acid duplicase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic acid polymerase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic acid polymerase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic duplicase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic duplicase inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase I inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase I inhibitors" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase inhibitor" RELATED [ChEBI] synonym: "deoxyribonucleic polymerase inhibitors" RELATED [ChEBI] synonym: "DNA duplicase inhibitor" RELATED [ChEBI] synonym: "DNA duplicase inhibitors" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (DNA-directed) inhibitor" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (DNA-directed) inhibitors" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "DNA polymerase alpha inhibitor" RELATED [ChEBI] synonym: "DNA polymerase alpha inhibitors" RELATED [ChEBI] synonym: "DNA polymerase beta inhibitor" RELATED [ChEBI] synonym: "DNA polymerase beta inhibitors" RELATED [ChEBI] synonym: "DNA polymerase gamma inhibitor" RELATED [ChEBI] synonym: "DNA polymerase gamma inhibitors" RELATED [ChEBI] synonym: "DNA polymerase I inhibitor" RELATED [ChEBI] synonym: "DNA polymerase I inhibitors" RELATED [ChEBI] synonym: "DNA polymerase II inhibitor" RELATED [ChEBI] synonym: "DNA polymerase II inhibitors" RELATED [ChEBI] synonym: "DNA polymerase III inhibitor" RELATED [ChEBI] synonym: "DNA polymerase III inhibitors" RELATED [ChEBI] synonym: "DNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA polymerase inhibitors" RELATED [ChEBI] synonym: "DNA replicase inhibitor" RELATED [ChEBI] synonym: "DNA replicase inhibitors" RELATED [ChEBI] synonym: "DNA-dependent DNA polymerase inhibitor" RELATED [ChEBI] synonym: "DNA-dependent DNA polymerase inhibitors" RELATED [ChEBI] synonym: "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor" RELATED [ChEBI] synonym: "DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors" RELATED [ChEBI] synonym: "duplicase inhibitor" RELATED [ChEBI] synonym: "duplicase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.7 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.7.7 inhibitors" RELATED [ChEBI] synonym: "Klenow fragment inhibitor" RELATED [ChEBI] synonym: "Klenow fragment inhibitors" RELATED [ChEBI] synonym: "sequenase inhibitor" RELATED [ChEBI] synonym: "sequenase inhibitors" RELATED [ChEBI] synonym: "Taq DNA polymerase inhibitor" RELATED [ChEBI] synonym: "Taq DNA polymerase inhibitors" RELATED [ChEBI] synonym: "Taq Pol I inhibitor" RELATED [ChEBI] synonym: "Taq Pol I inhibitors" RELATED [ChEBI] synonym: "Tca DNA polymerase inhibitor" RELATED [ChEBI] synonym: "Tca DNA polymerase inhibitors" RELATED [ChEBI] xref: Wikipedia:DNA_polymerase is_a: CHEBI:38234 ! DNA polymerase inhibitor [Term] id: CHEBI:131770 name: EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor namespace: chebi_ontology alt_id: CHEBI:131771 def: "A EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of channel-conductance-controlling ATPase (EC 3.6.3.49, also known as cystic fibrosis conductance regulator, CFCR)." [] subset: 3_STAR synonym: "ATP phosphohydrolase (channel-conductance-controlling) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (channel-conductance-controlling) inhibitors" RELATED [ChEBI] synonym: "CFTR inhibitor" RELATED [ChEBI] synonym: "CFTR inhibitors" RELATED [ChEBI] synonym: "channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitor" RELATED [ChEBI] synonym: "channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitors" RELATED [ChEBI] synonym: "channel-conductance-controlling ATPase inhibitor" RELATED [ChEBI] synonym: "channel-conductance-controlling ATPase inhibitors" RELATED [ChEBI] synonym: "cystic fibrosis conductance regulator inhibitor" RELATED [ChEBI] synonym: "cystic fibrosis conductance regulator inhibitors" RELATED [ChEBI] synonym: "cystic fibrosis transmembrane conductance regulator inhibitor" RELATED [ChEBI] synonym: "cystic fibrosis transmembrane conductance regulator inhibitors" RELATED [ChEBI] synonym: "cystic-fibrosis membrane-conductance-regulating protein inhibitor" RELATED [ChEBI] synonym: "cystic-fibrosis membrane-conductance-regulating protein inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.49 inhibitor" RELATED [ChEBI] synonym: "EC 3.6.3.49 inhibitors" RELATED [ChEBI] xref: Wikipedia:Cystic_fibrosis_transmembrane_conductance_regulator is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor [Term] id: CHEBI:131822 name: sulfamate namespace: chebi_ontology def: "An organosulfonate oxoanion obtained by deprotonation of the N-sulfo group of any sulfamic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "a sulfamate" RELATED [UniProt] is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:35719 ! sulfamic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNO3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.079" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.96771" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S([O-])(=O)(=O)N*" xsd:string [Term] id: CHEBI:131860 name: octadecanoid anion namespace: chebi_ontology def: "An unsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any octadecanoid." [] subset: 3_STAR synonym: "anionic octadecanoid" RELATED [ChEBI] synonym: "anionic octadecanoids" RELATED [ChEBI] synonym: "octadecanoid anions" RELATED [ChEBI] is_a: CHEBI:2580 ! unsaturated fatty acid anion is_a: CHEBI:57560 ! long-chain fatty acid anion relationship: is_conjugate_base_of CHEBI:36326 ! octadecanoid [Term] id: CHEBI:131862 name: HPODE(1-) namespace: chebi_ontology def: "An octadecanoid anion anion obtained by the deprotonation of the carboxy group of any hydroperoxyoctadecadienoic acid." [] subset: 3_STAR synonym: "HPODE anion" RELATED [ChEBI] synonym: "HPODE anions" RELATED [ChEBI] synonym: "hydroperoxyoctadecadienoate" RELATED [ChEBI] synonym: "hydroperoxyoctadecadienoates" RELATED [SUBMITTER] is_a: CHEBI:131860 ! octadecanoid anion is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:36329 ! HPODE [Term] id: CHEBI:131871 name: hydroxy polyunsaturated fatty acid anion namespace: chebi_ontology def: "Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents." [] subset: 3_STAR synonym: "a hydroxy polyunsaturated fatty acid" RELATED [UniProt] synonym: "hydroxy polyunsaturated fatty acid anions" RELATED [ChEBI] synonym: "hydroxy PUFA" RELATED [SUBMITTER] is_a: CHEBI:59835 ! hydroxy fatty acid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:140345 ! hydroxy polyunsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O*C([O-])=O" xsd:string [Term] id: CHEBI:131899 name: (R)-imazamox(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-imazamox." [] subset: 3_STAR synonym: "2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate" RELATED [ChEBI] synonym: "2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate" EXACT IUPAC_NAME [IUPAC] synonym: "5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylate" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:83744 ! (R)-imazamox relationship: is_enantiomer_of CHEBI:133193 ! (S)-imazamox(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUPJIGQFXCQJBK-OAHLLOKOSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.13028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC=C(C=C1C(=O)[O-])COC)C2=NC([C@@](N2)(C)C(C)C)=O" xsd:string [Term] id: CHEBI:131927 name: dicarboxylic acids and O-substituted derivatives namespace: chebi_ontology def: "A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens." [] subset: 3_STAR synonym: "dicarboxylic acids and derivatives" RELATED [ChEBI] is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:132053 name: thifensulfuron namespace: chebi_ontology def: "An N-sulfonylurea in which the sulfur atom is attached to a 2-carboxythiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. The corresponding methyl ester, known as thifensulfuron-methyl, is used as a post-emergence herbicide for the control of grass and broad-leaved weeds." [] subset: 3_STAR synonym: "3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid" RELATED [Alan_Wood's_Pesticides] synonym: "3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "thiameturon" RELATED [Alan_Wood's_Pesticides] synonym: "thifensulfuron acid" RELATED [ChEBI] xref: AGR:IND21975725 {source="Europe PMC"} xref: AGR:IND21983041 {source="Europe PMC"} xref: AGR:IND21984069 {source="Europe PMC"} xref: AGR:IND23256565 {source="Europe PMC"} xref: AGR:IND44616493 {source="Europe PMC"} xref: AGR:IND88022327 {source="Europe PMC"} xref: AGR:IND89001613 {source="Europe PMC"} xref: AGR:IND91008589 {source="Europe PMC"} xref: CAS:79277-67-1 {source="Alan Wood's Pesticides"} xref: CAS:79277-67-1 {source="ChemIDplus"} xref: Pesticides:thifensulfuron {source="Alan Wood's Pesticides"} xref: PPDB:972 is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:48436 ! thiophenecarboxylic acid is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H11N5O6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LOQQVLXUKHKNIA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "373.368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "373.01508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S1C=CC(=C1C(O)=O)S(NC(=O)NC=2N=C(N=C(N2)OC)C)(=O)=O" xsd:string [Term] id: CHEBI:132124 name: 1,4-benzoquinones namespace: chebi_ontology def: "Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives." [] subset: 3_STAR synonym: "a quinone" RELATED [UniProt] synonym: "p-benzoquinones" RELATED [ChEBI] synonym: "para-benzoquinones" RELATED [ChEBI] is_a: CHEBI:22729 ! benzoquinones is_a: CHEBI:25830 ! p-quinones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C(*)=C(*)C(=O)C(*)=C1*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:132130 name: hydroxyquinone namespace: chebi_ontology def: "Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group." [] subset: 3_STAR synonym: "hydroxyquinones" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36141 ! quinone [Term] id: CHEBI:132142 name: 1,4-naphthoquinones namespace: chebi_ontology def: "A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring." [] subset: 3_STAR is_a: CHEBI:25481 ! naphthoquinone is_a: CHEBI:25830 ! p-quinones property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:132155 name: hydroxynaphthoquinone namespace: chebi_ontology def: "Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxynaphthoquinones" RELATED [ChEBI] xref: Wikipedia:Hydroxynaphthoquinone is_a: CHEBI:132130 ! hydroxyquinone is_a: CHEBI:25481 ! naphthoquinone [Term] id: CHEBI:132157 name: hydroxy-1,4-naphthoquinone namespace: chebi_ontology def: "Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxy-1,4-naphthoquinones" RELATED [ChEBI] is_a: CHEBI:132142 ! 1,4-naphthoquinones is_a: CHEBI:132155 ! hydroxynaphthoquinone [Term] id: CHEBI:132181 name: diethylammonium namespace: chebi_ontology def: "A secondary aliphatic ammonium ion resulting from the protonation of the amino group of diethylamine." [] subset: 3_STAR synonym: "N-ethylethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:58855 ! secondary aliphatic ammonium ion relationship: is_conjugate_acid_of CHEBI:85259 ! diethylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPNMFZURTQLUMO-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.145" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.09643" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[NH2+]CC" xsd:string [Term] id: CHEBI:132233 name: 1-phenylpropan-2-amine namespace: chebi_ontology def: "A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group." [] subset: 3_STAR synonym: "1-phenylpropan-2-amine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32877 ! primary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWTSXDURSIMDCE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.10480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C=CC=CC1)CC(C)N" xsd:string [Term] id: CHEBI:132294 name: phenylephrine(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the secondary amino function of phenylephrine." [] subset: 3_STAR synonym: "(2R)-2-hydroxy-2-(3-hydroxyphenyl)-N-methylethan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "phenylephrine cation" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:8093 ! phenylephrine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H14NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SONNWYBIRXJNDC-VIFPVBQESA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.213" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.10191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C(=CC=CC1[C@H](C[NH2+]C)O)O" xsd:string [Term] id: CHEBI:132297 name: methamphetamine(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the secondary amino function of methamphetamine." [] subset: 3_STAR synonym: "(2S)-N-methyl-1-phenylpropan-2-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "methamphetamine cation" RELATED [ChEBI] is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:6809 ! methamphetamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/p+1/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYWUZJCMWCOHBA-VIFPVBQESA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.12773" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C[C@@H]([NH2+]C)C)C=CC=CC1" xsd:string [Term] id: CHEBI:132446 name: perfluorobutanesulfonic acid namespace: chebi_ontology def: "A perfluoroalkanesulfonic acid that is butane-1-sulfonic acid in which all of the hydrogens of the butyl group have been replaced by fluorines." [] subset: 3_STAR synonym: "1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid" RELATED [ChemIDplus] synonym: "1-perfluorobutanesulfonic acid" RELATED [ChemIDplus] synonym: "FC-98" RELATED [ChEBI] synonym: "nonafluoro-1-butanesulfonic acid" RELATED [ChemIDplus] synonym: "nonafluorobutane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "nonafluorobutanesulfonic acid" RELATED [ChemIDplus] synonym: "perfluorobutane-1-sulfonic acid" RELATED [ChEBI] synonym: "PFBS" RELATED [ChEBI] xref: CAS:375-73-5 {source="ChemIDplus"} xref: Patent:WO2011093371 xref: PMID:16433328 {source="Europe PMC"} xref: PMID:17917760 {source="Europe PMC"} xref: PMID:19059455 {source="Europe PMC"} xref: PMID:19429410 {source="Europe PMC"} xref: PMID:20451658 {source="Europe PMC"} xref: PMID:23441933 {source="Europe PMC"} xref: PMID:24238775 {source="Europe PMC"} xref: PMID:25268321 {source="Europe PMC"} xref: PMID:26360456 {source="Europe PMC"} xref: PMID:26610298 {source="Europe PMC"} xref: PMID:26780052 {source="Europe PMC"} xref: PMID:26889942 {source="Europe PMC"} xref: Reaxys:1813588 {source="Reaxys"} xref: Wikipedia:Perfluorobutanesulfonic_acid is_a: CHEBI:132447 ! perfluoroalkanesulfonic acid relationship: has_role CHEBI:35195 ! surfactant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HF9O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JGTNAGYHADQMCM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.95027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(F)(F)F)(F)F" xsd:string [Term] id: CHEBI:132447 name: perfluoroalkanesulfonic acid namespace: chebi_ontology def: "An organosulfonic acid in which the sulfo group is directly attached to a perfluoroalkyl group." [] subset: 3_STAR synonym: "perfluoroalkanesulfonic acids" RELATED [ChEBI] synonym: "perfluoroalkylsulfonic acid" RELATED [ChEBI] synonym: "perfluoroalkylsulfonic acids" RELATED [ChEBI] is_a: CHEBI:134091 ! perfluorinated compound is_a: CHEBI:33551 ! organosulfonic acid [Term] id: CHEBI:132448 name: perfluorohexanesulfonic acid namespace: chebi_ontology def: "A perfluoroalkanesulfonic acid that is hexane-1-sulfonic acid in which all thirteen of the hydrogens that are attached to carbons have been replaced by fluorines." [] subset: 3_STAR synonym: "1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid" RELATED [ChemIDplus] synonym: "perfluorohexane sulfonic acid" RELATED [ChemIDplus] synonym: "perfluorohexane-1-sulfonic acid" RELATED [ChemIDplus] synonym: "tridecafluorohexane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:355-46-4 {source="ChemIDplus"} xref: PMID:20471065 {source="Europe PMC"} xref: PMID:21346631 {source="Europe PMC"} xref: Reaxys:1813793 {source="Reaxys"} is_a: CHEBI:132447 ! perfluoroalkanesulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HF13O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZHDEAJFRJCDMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.94388" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C(S(O)(=O)=O)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" xsd:string [Term] id: CHEBI:13248 name: anilide namespace: chebi_ontology def: "Any aromatic amide obtained by acylation of aniline." [] subset: 3_STAR synonym: "an anilide" RELATED [UniProt] synonym: "N-phenyl amide" RELATED [ChEBI] synonym: "N-phenyl amides" RELATED [ChEBI] xref: KEGG:C01402 xref: PMID:23535982 {source="Europe PMC"} xref: PMID:23968552 {source="Europe PMC"} xref: PMID:24273122 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} is_a: CHEBI:22712 ! benzenes is_a: CHEBI:62733 ! aromatic amide relationship: has_functional_parent CHEBI:17296 ! aniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6NOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.12860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)Nc1ccccc1" xsd:string [Term] id: CHEBI:132539 name: fatty acid 20:4 namespace: chebi_ontology def: "Any polyunsaturated fatty acid containing 20 carbons and 4 double bonds." [] subset: 3_STAR synonym: "FA 20:4" RELATED [ChEBI] synonym: "free fatty acid 20:4" RELATED [ChEBI] is_a: CHEBI:26208 ! polyunsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.46690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(O)*" xsd:string [Term] id: CHEBI:132717 name: bleaching agent namespace: chebi_ontology def: "A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties." [] subset: 3_STAR xref: Wikipedia:Bleach is_a: CHEBI:33893 ! reagent [Term] id: CHEBI:132742 name: lysophosphatidic acid namespace: chebi_ontology def: "A member of the class of lysophosphatidic acids obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid. A 'closed' class." [] subset: 3_STAR synonym: "lysophosphatidic acids" RELATED [ChEBI] is_a: CHEBI:32957 ! lysophosphatidic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.058" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.99802" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@](CO*)(O*)([H])COP(O)(=O)O" xsd:string [Term] id: CHEBI:132842 name: sulfapyridine namespace: chebi_ontology def: "A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position." [] subset: 3_STAR synonym: "2-(p-Aminobenzenesulphonamido)pyridine" RELATED [ChemIDplus] synonym: "2-Sulfanilamidopyridin" RELATED [ChemIDplus] synonym: "2-Sulfanilamidopyridine" RELATED [DrugBank] synonym: "2-Sulfanilylaminopyridine" RELATED [DrugBank] synonym: "2-Sulfapyridine" RELATED [DrugBank] synonym: "4-(2-Pyridinylsulfonyl)aniline" RELATED [DrugBank] synonym: "4-[(2-Pyridylamino)sulfonyl]aniline" RELATED [DrugBank] synonym: "4-Amino-N,2-pyridinylbenzenesulfonamide" RELATED [NIST_Chemistry_WebBook] synonym: "4-amino-N-(pyridin-2-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-Amino-N-pyridin-2-yl-benzenesulfonamide" RELATED [ChEMBL] synonym: "N(1)-2-Pyridylsulfanilamide" RELATED [DrugBank] synonym: "N(1)-Pyridylsulfanilamide" RELATED [DrugBank] synonym: "N-2-Pyridylsulfanilamide" RELATED [DrugBank] synonym: "Solfapiridina" RELATED [ChemIDplus] synonym: "sulfapiridina" RELATED INN [ChemIDplus] synonym: "sulfapyridine" RELATED INN [KEGG_DRUG] synonym: "sulfapyridinum" RELATED INN [ChemIDplus] synonym: "Sulphapyridine" RELATED [DrugBank] xref: Beilstein:222065 {source="Beilstein"} xref: CAS:144-83-2 {source="ChemIDplus"} xref: CAS:144-83-2 {source="KEGG DRUG"} xref: CAS:144-83-2 {source="DrugBank"} xref: Drug_Central:2524 {source="DrugCentral"} xref: DrugBank:DB00891 xref: Gmelin:219135 {source="Gmelin"} xref: HMDB:HMDB0015028 xref: KEGG:D02434 xref: LINCS:LSM-5531 xref: Patent:GB512145 xref: Patent:US2275354 xref: PMID:11431418 {source="Europe PMC"} xref: PMID:17964793 {source="ChEMBL"} xref: PMID:6136612 {source="ChEMBL"} xref: PMID:6993682 {source="ChEMBL"} xref: PMID:7021831 {source="ChEMBL"} xref: Reaxys:222065 {source="Reaxys"} xref: VSDB:1922 xref: Wikipedia:Sulfapyridine is_a: CHEBI:26421 ! pyridines is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50177 ! dermatologic drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H11N3O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GECHUMIMRBOMGK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.05720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1" xsd:string [Term] id: CHEBI:132922 name: ibuprofen(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of ibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "2-[4-(2-methylpropyl)phenyl]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "ibuprofen" RELATED [ChEBI] synonym: "ibuprofen anion" RELATED [ChEBI] xref: Reaxys:4784081 {source="Reaxys"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:5855 ! ibuprofen property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H17O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEFNNWSXXWATRW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "205.273" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "205.12340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(C=CC1C(C(=O)[O-])C)CC(C)C" xsd:string [Term] id: CHEBI:132932 name: disodium 5'-guanylate namespace: chebi_ontology def: "An organic sodium salt that is the disodium salt of GMP." [] subset: 3_STAR synonym: "5'-gmp disodium salt" RELATED [ChemIDplus] synonym: "5-guanylic acid disodium salt" RELATED [ChemIDplus] synonym: "disodium 5'-GMP" RELATED [ChemIDplus] synonym: "disodium 5'-O-phosphonatoguanosine" EXACT IUPAC_NAME [IUPAC] synonym: "disodium GMP" RELATED [ChemIDplus] synonym: "disodium guanosine 5'-monophosphate" RELATED [ChemIDplus] synonym: "disodium guanosine-5'-monophosphate" RELATED [ChemIDplus] synonym: "disodium guanylate" RELATED [ChemIDplus] synonym: "E627" RELATED [ChEBI] synonym: "GMP disodium salt" RELATED [ChemIDplus] synonym: "guanosine 5'-monophosphate disodium salt" RELATED [ChemIDplus] synonym: "guanosine 5'-phosphate disodium salt" RELATED [ChemIDplus] synonym: "sodium guanylate" RELATED [ChemIDplus] xref: CAS:5550-12-9 {source="ChemIDplus"} xref: PMID:1851447 {source="Europe PMC"} xref: PMID:22391056 {source="Europe PMC"} xref: PMID:4601956 {source="Europe PMC"} xref: Wikipedia:Disodium_guanylate is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:58115 ! guanosine 5'-monophosphate(2-) relationship: has_role CHEBI:35617 ! flavouring agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N5Na2O8P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVBRXXAAPNGWGE-LGVAUZIVSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "407.185" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "407.02189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=O)NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)N.[Na+].[Na+]" xsd:string [Term] id: CHEBI:132944 name: octadec-9-enoate namespace: chebi_ontology def: "An octadecenoate in which the double bond is at C-9." [] subset: 3_STAR synonym: "9-octadecenoate" RELATED [ChEBI] synonym: "C18:1, n-9(1-)" RELATED [ChEBI] synonym: "Delta(9)-octadecenoate" RELATED [ChEBI] synonym: "octadec-9-enoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:78049 ! octadecenoate relationship: is_conjugate_base_of CHEBI:36021 ! octadec-9-enoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H33O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.454" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.24860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=CCCCCCCCC)CCCCCCCC(=O)[O-]" xsd:string [Term] id: CHEBI:132951 name: maleate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of maleic acid." [] subset: 3_STAR synonym: "maleate anion" RELATED [ChEBI] synonym: "maleate anions" RELATED [ChEBI] synonym: "maleates" RELATED [ChEBI] synonym: "maleic acid anion" RELATED [ChEBI] synonym: "maleic acid anions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:18300 ! maleic acid [Term] id: CHEBI:132952 name: oxalate namespace: chebi_ontology def: "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid." [] subset: 3_STAR synonym: "ethanedioic acid anion" RELATED [ChEBI] synonym: "ethanedioic acid anions" RELATED [ChEBI] synonym: "oxalate anion" RELATED [ChEBI] synonym: "oxalate anions" RELATED [ChEBI] synonym: "oxalates" RELATED [ChEBI] synonym: "oxalic acid anion" RELATED [ChEBI] synonym: "oxalic acid anions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion relationship: is_conjugate_base_of CHEBI:16995 ! oxalic acid [Term] id: CHEBI:132963 name: butyl 2-(4-\{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate namespace: chebi_ontology def: "A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol." [] subset: 3_STAR synonym: "butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] xref: PPDB:323 is_a: CHEBI:26421 ! pyridines is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:28885 ! butan-1-ol relationship: has_functional_parent CHEBI:83598 ! 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAIZTNZGPYBOGF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:132964 name: fluazifop-P-butyl namespace: chebi_ontology def: "A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configutation. The active enantiomer of the herbicide fluazifop-butyl, it is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops." [] subset: 3_STAR synonym: "butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate" RELATED [Alan_Wood's_Pesticides] synonym: "butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate" RELATED [Alan_Wood's_Pesticides] synonym: "Fusilade II" RELATED BRAND_NAME [ChEBI] xref: AGR:IND601311742 {source="Europe PMC"} xref: CAS:79241-46-6 {source="Alan Wood's Pesticides"} xref: CAS:79241-46-6 {source="ChemIDplus"} xref: Pesticides:fluazifop-p-butyl {source="Alan Wood's Pesticides"} xref: PMID:21487707 {source="Europe PMC"} xref: PMID:23387923 {source="Europe PMC"} xref: PMID:25149239 {source="Europe PMC"} xref: PMID:26147883 {source="Europe PMC"} xref: PMID:26628016 {source="Europe PMC"} xref: PMID:26735732 {source="Europe PMC"} xref: PMID:27157530 {source="Europe PMC"} xref: PMID:27378613 {source="Europe PMC"} xref: PPDB:324 xref: Reaxys:8346184 {source="Reaxys"} is_a: CHEBI:132963 ! butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate relationship: has_functional_parent CHEBI:83599 ! fluazifop-P relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: is_enantiomer_of CHEBI:132965 ! (S)-fluazifop-butyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAIZTNZGPYBOGF-CYBMUJFWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(OCCCC)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:132965 name: (S)-fluazifop-butyl namespace: chebi_ontology def: "A butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the inactive enantiomer of the herbicide fluazifop-P-butyl." [] subset: 3_STAR synonym: "butyl (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "butyl (2S)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate" RELATED [ChEBI] synonym: "butyl (S)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate" RELATED [ChEBI] xref: PMID:21487707 {source="Europe PMC"} xref: PMID:26735732 {source="Europe PMC"} is_a: CHEBI:132963 ! butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate relationship: is_enantiomer_of CHEBI:132964 ! fluazifop-P-butyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAIZTNZGPYBOGF-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@H](C(OCCCC)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:132992 name: radiosensitizing agent namespace: chebi_ontology def: "A drug that makes increases the sensitivity of tumour cells to radiation therapy." [] subset: 3_STAR synonym: "radiosensitiser" RELATED [ChEBI] synonym: "radiosensitisers" RELATED [ChEBI] synonym: "radiosensitising agent" RELATED [ChEBI] synonym: "radiosensitising agents" RELATED [ChEBI] synonym: "radiosensitizer" RELATED [ChEBI] synonym: "radiosensitizers" RELATED [ChEBI] synonym: "radiosensitizing agents" RELATED [ChEBI] xref: PMID:12520460 {source="Europe PMC"} xref: Wikipedia:Radiosensitizer is_a: CHEBI:23888 ! drug [Term] id: CHEBI:133135 name: chromenochromene namespace: chebi_ontology def: "Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives." [] subset: 3_STAR synonym: "chromenochromenes" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:133193 name: (S)-imazamox(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (S)-imazamox." [] subset: 3_STAR synonym: "(S)-imazamox anion" RELATED [ChEBI] synonym: "2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate" RELATED [ChEBI] synonym: "2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinate" EXACT IUPAC_NAME [IUPAC] synonym: "5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid" RELATED [IUPAC] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:83743 ! (S)-imazamox relationship: is_enantiomer_of CHEBI:131899 ! (R)-imazamox(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUPJIGQFXCQJBK-HNNXBMFYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.13028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC=C(C=C1C(=O)[O-])COC)C2=NC([C@](N2)(C)C(C)C)=O" xsd:string [Term] id: CHEBI:133249 name: saturated fatty aldehyde namespace: chebi_ontology def: "A fatty aldehyde in which there is no carbon-carbon unsaturation." [] subset: 3_STAR synonym: "a saturated fatty aldehyde" RELATED [UniProt] synonym: "saturated fatty aldehydes" RELATED [ChEBI] xref: PMID:14564727 {source="Europe PMC"} xref: PMID:17805609 {source="Europe PMC"} xref: PMID:4531008 {source="Europe PMC"} is_a: CHEBI:35746 ! fatty aldehyde relationship: has_functional_parent CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.018" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C([H])=O" xsd:string [Term] id: CHEBI:133291 name: saturated dicarboxylic acid dianion(2-) namespace: chebi_ontology def: "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds." [] subset: 3_STAR synonym: "a saturated dicarboxylic acid" RELATED [UniProt] synonym: "saturated dicarboxylate(2-)" RELATED [SUBMITTER] is_a: CHEBI:28965 ! dicarboxylic acid dianion property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(*C([O-])=O)=O" xsd:string [Term] id: CHEBI:133331 name: metal oxide namespace: chebi_ontology def: "An inorganic oxide that is an oxide of any metal." [] subset: 3_STAR synonym: "metal oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide [Term] id: CHEBI:133538 name: L-lysine zwitterion namespace: chebi_ontology def: "An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-lysine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-6-amino-2-azaniumylhexanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-lysine" RELATED [ChEBI] synonym: "Lys" RELATED [ChEBI] synonym: "lysine zwitterion" RELATED [ChEBI] is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:32551 ! L-lysinium(1+) relationship: is_tautomer_of CHEBI:18019 ! L-lysine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-YFKPBYRVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([C@H](CCCCN)[NH3+])=O" xsd:string [Term] id: CHEBI:133673 name: glyphosate(1-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "glyphosate" RELATED [UniProt] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_acid_of CHEBI:67052 ! glyphosate(2-) relationship: is_conjugate_base_of CHEBI:27744 ! glyphosate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDDAORKBJWWYJS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.065" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.00673" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C([O-])C[NH2+]CP(=O)(O)[O-]" xsd:string [Term] id: CHEBI:133972 name: primary nitroalkane namespace: chebi_ontology def: "A nitroalkane in which the nitro group is attached to a terminal carbon. Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "a primary nitroalkane" RELATED [UniProt] xref: MetaCyc:Nitroalkanes {source="SUBMITTER"} xref: PMID:1710166 {source="Europe PMC"} xref: PMID:26506056 {source="Europe PMC"} xref: PMID:7762004 {source="Europe PMC"} is_a: CHEBI:7587 ! nitroalkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.00855" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+]([O-])=O)*" xsd:string [Term] id: CHEBI:134019 name: hydroperoxy polyunsaturated fatty acid anion namespace: chebi_ontology def: "Any polyunsaturated fatty acid anion carrying one or more hydroperoxy substituents." [] subset: 3_STAR synonym: "a hydroperoxy polyunsaturated fatty acid" RELATED [UniProt] synonym: "hydroperoxy polyunsaturated fatty acid anions" RELATED [ChEBI] synonym: "hydroperoxy-polyunsaturated fatty acid anion" RELATED [ChEBI] synonym: "hydroperoxy-polyunsaturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:64012 ! hydroperoxy fatty acid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:189832 ! hydroperoxy polyunsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "77.016" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.98748" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*(C([O-])=O)OO" xsd:string [Term] id: CHEBI:134024 name: chlorofluorocarbon namespace: chebi_ontology def: "An organochlorine compound derived from methane, ethane or propane that contains atoms of carbon, chlorine, and fluorine only. They are nontoxic, nonflammable chemicals used in aerosol sprays and as refrigerants. Being ozone depletion agents, their manufacture and use is being phased out under the Montreal Protocol." [] subset: 3_STAR synonym: "CFC" RELATED [ChEBI] synonym: "CFCs" RELATED [ChEBI] synonym: "chlorofluorocarbons" RELATED [ChEBI] xref: Wikipedia:Chlorofluorocarbon is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:134040 name: hydrochlorofluorocarbon namespace: chebi_ontology def: "An organochlorine compound derived from methane, ethane or propane that contains atoms of hydrogen, chlorine, fluorine, and carbon only." [] subset: 3_STAR synonym: "HCFC" RELATED [ChEBI] synonym: "HCFCs" RELATED [ChEBI] synonym: "hydro-chlorofluorocarbon" RELATED [ChEBI] synonym: "hydro-chlorofluorocarbons" RELATED [ChEBI] synonym: "hydrochlorofluorocarbons" RELATED [ChEBI] is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:134043 name: phenylureas namespace: chebi_ontology def: "Any member of the class of ureas in which at least one of the nitrogens of the urea moiety is substituted by a phenyl or substituted phenyl group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:134044 name: 1,4-dioxine namespace: chebi_ontology def: "An oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic." [] subset: 3_STAR synonym: "1,4-dioxin" RELATED [ChemIDplus] synonym: "1,4-dioxine" EXACT IUPAC_NAME [IUPAC] synonym: "dioxin" RELATED [ChEBI] synonym: "p-dioxin" RELATED [ChemIDplus] xref: CAS:290-67-5 {source="NIST Chemistry WebBook"} xref: CAS:290-67-5 {source="ChemIDplus"} xref: Wikipedia:1\,4-Dioxin is_a: CHEBI:38104 ! oxacycle property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVGZZAHHUNAVKZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=COC=CO1" xsd:string [Term] id: CHEBI:134045 name: polychlorinated dibenzodioxines and related compounds namespace: chebi_ontology def: "Organochlorine compounds that are polychlorinated dibenzodioxines and structurally related entities that are persistant organic pollutants. These include polychlorinated dibenzofurans as well as polychlorinated and polybrominated biphenyls They vary widely in their toxicity, but their toxic mode of action is through the aryl hydrocarbon receptor." [] subset: 3_STAR synonym: "dioxins and dioxin-like compounds" RELATED [ChEBI] synonym: "DLCs" RELATED [ChEBI] synonym: "PCDDs and related compounds" RELATED [ChEBI] synonym: "polychlorinated dibenzodioxins and related compounds" RELATED [ChEBI] xref: Wikipedia:Dioxins_and_dioxin-like_compounds is_a: CHEBI:17792 ! organohalogen compound relationship: has_role CHEBI:77853 ! persistent organic pollutant [Term] id: CHEBI:134046 name: polychlorinated dibenzofuran namespace: chebi_ontology def: "A member of the class of benzofurans that is benzofuran in which two or more of the hydrogens have reen replaced by chlorines." [] subset: 3_STAR synonym: "PCDF" RELATED [ChEBI] synonym: "PCDFs" RELATED [ChEBI] synonym: "polychlorinated dibenzofurans" RELATED [ChEBI] xref: PMID:24279584 {source="Europe PMC"} xref: PMID:25754105 {source="Europe PMC"} xref: PMID:27043380 {source="Europe PMC"} xref: PMID:27555483 {source="Europe PMC"} xref: PMID:27776226 {source="Europe PMC"} xref: PMID:27776233 {source="Europe PMC"} xref: Wikipedia:Polychlorinated_dibenzofurans is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38922 ! dibenzofurans relationship: has_role CHEBI:138015 ! endocrine disruptor [Term] id: CHEBI:134047 name: bromobiphenyl namespace: chebi_ontology def: "A bromoarene that consists of a biphenyl skeleton substituted by one or more bromo groups." [] subset: 3_STAR synonym: "bromobiphenyls" RELATED [ChEBI] is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:37148 ! bromoarene is_a: CHEBI:37149 ! bromobenzenes [Term] id: CHEBI:134049 name: polybromobiphenyl namespace: chebi_ontology def: "A biphenyl compound containing between 2 and 10 bromine atoms attached to the two benzene rings." [] subset: 3_STAR synonym: "PBB" RELATED [ChEBI] synonym: "PBBs" RELATED [ChEBI] synonym: "polybrominated biphenyl" RELATED [ChEBI] synonym: "polybrominated biphenyls" RELATED [ChEBI] synonym: "polybromobiphenyls" RELATED [ChEBI] xref: Wikipedia:Polybrominated_biphenyl is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds is_a: CHEBI:134047 ! bromobiphenyl [Term] id: CHEBI:134050 name: 2,2',4,4',5,5'-hexabromobiphenyl namespace: chebi_ontology def: "A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines." [] subset: 3_STAR synonym: "2,2',4,4',5,5'-hexabromo[biphenyl]" EXACT IUPAC_NAME [IUPAC] synonym: "2,2'4,4',5,5'-hexabromo-1,1'-biphenyl" RELATED [ChemIDplus] synonym: "2,4,5,2',4',5'-hexabromobiphenyl" RELATED [ChemIDplus] synonym: "PBB 153" RELATED [ChemIDplus] synonym: "PBB-153" RELATED [ChEBI] synonym: "PBB153" RELATED [ChEBI] xref: CAS:59080-40-9 {source="NIST Chemistry WebBook"} xref: CAS:59080-40-9 {source="ChemIDplus"} xref: PMID:15099731 {source="Europe PMC"} xref: PMID:18255122 {source="Europe PMC"} xref: PMID:19034893 {source="Europe PMC"} xref: PMID:23721586 {source="Europe PMC"} xref: PMID:27474862 {source="Europe PMC"} xref: PMID:27521000 {source="Europe PMC"} xref: Reaxys:1991358 {source="Reaxys"} is_a: CHEBI:134049 ! polybromobiphenyl is_a: CHEBI:172368 ! brominated flame retardant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Br6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HMBBJSKXDBUNNT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "627.582" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "621.54133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br" xsd:string [Term] id: CHEBI:134063 name: 1,2,5,6,9,10-hexabromocyclododecane namespace: chebi_ontology def: "A bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10." [] subset: 3_STAR synonym: "1,2,5,6,9,10-hexabromocyclododecane" EXACT IUPAC_NAME [IUPAC] synonym: "Cyclododecane, 1,2,5,6,9,10-hexabromo-" RELATED [SUBMITTER] synonym: "HBCD" RELATED [SUBMITTER] synonym: "Hexabromocyclododecane" RELATED [SUBMITTER] xref: CAS:3194-55-6 {source="ChemIDplus"} xref: PMID:26184837 {source="Europe PMC"} xref: PMID:26629593 {source="Europe PMC"} xref: PMID:26633745 {source="Europe PMC"} xref: PMID:26718265 {source="Europe PMC"} xref: PMID:26739916 {source="Europe PMC"} xref: PMID:26786581 {source="Europe PMC"} xref: PMID:26810304 {source="Europe PMC"} xref: PMID:26824278 {source="Europe PMC"} xref: PMID:26876804 {source="Europe PMC"} xref: PMID:26924755 {source="Europe PMC"} xref: PMID:26929994 {source="Europe PMC"} xref: PMID:27262547 {source="Europe PMC"} xref: PMID:27401979 {source="Europe PMC"} xref: PMID:27414104 {source="Europe PMC"} xref: PMID:27434255 {source="Europe PMC"} xref: PMID:27494656 {source="Europe PMC"} xref: PMID:27542735 {source="Europe PMC"} xref: PMID:27579339 {source="Europe PMC"} xref: PMID:27694046 {source="Europe PMC"} xref: PMID:27717803 {source="Europe PMC"} xref: PMID:27741390 {source="Europe PMC"} xref: PMID:27745666 {source="Europe PMC"} xref: PMID:27814246 {source="Europe PMC"} xref: PMID:27830419 {source="Europe PMC"} xref: PMID:27915102 {source="Europe PMC"} xref: Reaxys:1911324 {source="Reaxys"} xref: Wikipedia:Hexabromocyclododecane is_a: CHEBI:172368 ! brominated flame retardant is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:22929 ! bromoalkane relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18Br6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DEIGXXQKDWULML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "641.693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "635.65088" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br" xsd:string [Term] id: CHEBI:134069 name: copper oxide namespace: chebi_ontology def: "Any metal oxide in which the metallic component is copper." [] subset: 3_STAR synonym: "copper oxides" RELATED [ChEBI] is_a: CHEBI:133331 ! metal oxide is_a: CHEBI:23377 ! copper molecular entity [Term] id: CHEBI:134091 name: perfluorinated compound namespace: chebi_ontology def: "An organofluorine compound containing only C-F bonds (no C-H bonds) and C-C bonds but also other heteroatoms (particularly other halogens, oxygen, and sulfur). Their properties represent a blend of fluorocarbons (containing only C-F and C-C bonds) and the parent functionalised organic species." [] subset: 3_STAR synonym: "perfluorinated compounds" RELATED [ChEBI] synonym: "PFC" RELATED [ChEBI] synonym: "PFCs" RELATED [ChEBI] xref: Wikipedia:Perfluorinated_compound is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:134092 name: arsenocholine namespace: chebi_ontology def: "An arsonium ion that is choline in which the central nitrogen has been replaced by arsenic." [] subset: 3_STAR synonym: "(2-hydroxyethyl)(trimethyl)arsanium" EXACT IUPAC_NAME [IUPAC] synonym: "(2-Hydroxyethyl)trimethylarsonium" RELATED [ChemIDplus] xref: AGR:IND86035749 {source="Europe PMC"} xref: AGR:IND92025878 {source="Europe PMC"} xref: CAS:39895-81-3 {source="ChemIDplus"} xref: HMDB:HMDB0032683 xref: PMID:1580419 {source="Europe PMC"} xref: PMID:16746711 {source="Europe PMC"} xref: PMID:2363511 {source="Europe PMC"} xref: PMID:27277209 {source="Europe PMC"} xref: PMID:2953397 {source="Europe PMC"} xref: PMID:3288685 {source="Europe PMC"} xref: PMID:3349210 {source="Europe PMC"} xref: PMID:3435795 {source="Europe PMC"} xref: PMID:6642710 {source="Europe PMC"} xref: PMID:6719099 {source="Europe PMC"} xref: Reaxys:1736750 {source="Reaxys"} is_a: CHEBI:33406 ! organoarsenic compound is_a: CHEBI:62607 ! arsonium ion relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H14AsO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ORLOBEXOFQEWFQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.02551" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[As+](CCO)(C)(C)C" xsd:string [Term] id: CHEBI:134094 name: polybromodiphenyl ether namespace: chebi_ontology def: "An aromatic ether that is diphenyl ether carrying between 2 and 10 bromo substituents attached to the two benzene rings." [] subset: 3_STAR synonym: "PBDE" RELATED [ChEBI] synonym: "polybrominated diphenyl ether" RELATED [ChEBI] synonym: "polybrominated diphenyl ethers" RELATED [ChEBI] synonym: "polybromodiphenyl ethers" RELATED [ChEBI] xref: PMID:11482396 {source="Europe PMC"} xref: PMID:12850095 {source="Europe PMC"} xref: PMID:15568467 {source="Europe PMC"} xref: PMID:17638602 {source="Europe PMC"} xref: PMID:17904639 {source="Europe PMC"} xref: PMID:19100622 {source="Europe PMC"} xref: PMID:19260376 {source="Europe PMC"} xref: PMID:20100501 {source="Europe PMC"} xref: PMID:20557935 {source="Europe PMC"} xref: PMID:24270005 {source="Europe PMC"} xref: Wikipedia:Polybrominated_diphenyl_ethers is_a: CHEBI:172368 ! brominated flame retardant is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37149 ! bromobenzenes relationship: has_functional_parent CHEBI:39258 ! diphenyl ether relationship: has_role CHEBI:138015 ! endocrine disruptor [Term] id: CHEBI:134179 name: volatile organic compound namespace: chebi_ontology def: "Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa." [] subset: 3_STAR synonym: "VOC" RELATED [ChEBI] synonym: "VOCs" RELATED [ChEBI] synonym: "volatile organic compounds" RELATED [ChEBI] xref: Wikipedia:Volatile_organic_compound is_a: CHEBI:72695 ! organic molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:134249 name: alkanesulfonate oxoanion namespace: chebi_ontology alt_id: CHEBI:22318 def: "An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups." [] subset: 3_STAR synonym: "alkanesulfonate oxoanions" RELATED [ChEBI] synonym: "alkanesulfonates" RELATED [ChEBI] synonym: "an alkanesulfonate" RELATED [UniProt] xref: MetaCyc:Alkanesulfonates is_a: CHEBI:33554 ! organosulfonate oxoanion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.091" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.97246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(S([O-])(=O)=O)*" xsd:string [Term] id: CHEBI:134251 name: guaiacols namespace: chebi_ontology alt_id: CHEBI:13645 def: "Any phenol carrying an additional methoxy substituent at the ortho-position." [] subset: 3_STAR synonym: "1-hydroxy-2-methoxybenzenes" RELATED [ChEBI] synonym: "2-methoxyphenol" RELATED [ChEBI] synonym: "2-methoxyphenol derivative" RELATED [SUBMITTER] synonym: "2-methoxyphenol derivatives" RELATED [ChEBI] synonym: "2-methoxyphenols" RELATED [ChEBI] synonym: "a guaiacol" RELATED [UniProt] synonym: "catechol monomethyl ether" RELATED [ChEBI] synonym: "catechol monomethyl ethers" RELATED [ChEBI] synonym: "o-methoxyphenol" RELATED [ChEBI] synonym: "o-methoxyphenols" RELATED [ChEBI] synonym: "ortho-methoxyphenol" RELATED [ChEBI] synonym: "ortho-methoxyphenols" RELATED [ChEBI] xref: MetaCyc:Guaiacols is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H4O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)OC)O)*" xsd:string [Term] id: CHEBI:134361 name: allylic alcohol namespace: chebi_ontology def: "An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.)." [] subset: 3_STAR synonym: "allylic alcohols" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3HOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=C(*)*)*)(O)(*)*" xsd:string [Term] id: CHEBI:134362 name: homoallylic alcohol namespace: chebi_ontology def: "An aliphatic alcohol where the hydroxy carbon is beta to a double bond." [] subset: 3_STAR synonym: "homoallylic alcohols" RELATED [ChEBI] is_a: CHEBI:2571 ! aliphatic alcohol is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HOR7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "65.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=C(*)*)(C(C(O)(*)*)(*)*)*" xsd:string [Term] id: CHEBI:134363 name: tertiary amine oxide namespace: chebi_ontology def: "An N-oxide where there are three organic groups bonded to the nitrogen atom." [] subset: 3_STAR synonym: "tertiary amine oxides" RELATED [ChEBI] xref: Patent:EP0545208 xref: Patent:EP0757983 xref: Patent:EP0866058 xref: Patent:EP1068179 xref: Patent:US4206204 xref: Patent:WO9950236 is_a: CHEBI:35580 ! N-oxide relationship: has_functional_parent CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[N+](*)([O-])*" xsd:string [Term] id: CHEBI:134394 name: primary allylic alcohol namespace: chebi_ontology def: "An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens." [] subset: 3_STAR synonym: "primary allylic alcohols" RELATED [ChEBI] is_a: CHEBI:134361 ! allylic alcohol is_a: CHEBI:15734 ! primary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3OR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.055" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=C(*)*)*)(O)([H])[H]" xsd:string [Term] id: CHEBI:134396 name: secondary allylic alcohol namespace: chebi_ontology def: "An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to one other carbon and one hydrogen." [] subset: 3_STAR synonym: "secondary allylic alcohols" RELATED [ChEBI] is_a: CHEBI:134361 ! allylic alcohol is_a: CHEBI:35681 ! secondary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2OR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.047" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=C(*)*)*)(O)([H])*" xsd:string [Term] id: CHEBI:134397 name: tertiary allylic alcohol namespace: chebi_ontology def: "An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two other carbons (R4,R5 =/= H)." [] subset: 3_STAR synonym: "tertiary allylic alcohols" RELATED [ChEBI] is_a: CHEBI:134361 ! allylic alcohol is_a: CHEBI:26878 ! tertiary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3HOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=C(*)*)*)(O)(*)*" xsd:string [Term] id: CHEBI:134438 name: titanium oxides namespace: chebi_ontology def: "A class containing any titanium molecular entity that is an oxide of titanium." [] subset: 3_STAR synonym: "titanium oxide" RELATED [ChEBI] is_a: CHEBI:37217 ! titanium molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:134441 name: titanium oxide nanoparticle namespace: chebi_ontology def: "A nanoparticle composed of any titanium oxide." [] subset: 3_STAR is_a: CHEBI:134438 ! titanium oxides is_a: CHEBI:52855 ! inorganic nanoparticle [Term] id: CHEBI:134688 name: naltrexone(1+) namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:7465 ! naltrexone [Term] id: CHEBI:136003 name: levomethadone namespace: chebi_ontology def: "A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (R)-configuration. It is the active enantiomer of methadone and its hydrochloride salt is used to treat adults who are addicted to drugs such as heroin and morphine." [] subset: 3_STAR synonym: "(-)-(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChemIDplus] synonym: "(-)-methadone" RELATED [ChemIDplus] synonym: "(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "(6R)-methadone" RELATED [ChemIDplus] synonym: "(R)-(-)-methadone" RELATED [ChEBI] synonym: "(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChemIDplus] synonym: "(R)-methadone" RELATED [ChEBI] synonym: "L-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChemIDplus] synonym: "l-methadone" RELATED [ChemIDplus] synonym: "levometadona" RELATED INN [WHO_MedNet] synonym: "levomethadone" RELATED INN [WHO_MedNet] synonym: "levomethadonum" RELATED INN [WHO_MedNet] synonym: "R-methadone" RELATED [ChEBI] xref: CAS:125-58-6 {source="ChemIDplus"} xref: Chemspider:20904 xref: Drug_Central:4586 {source="DrugCentral"} xref: DrugBank:DB13515 xref: KEGG:D08121 xref: PMID:20308640 {source="Europe PMC"} xref: PMID:21371149 {source="Europe PMC"} xref: PMID:25669614 {source="Europe PMC"} xref: PMID:27974484 {source="Europe PMC"} xref: PMID:29393208 {source="Europe PMC"} xref: PMID:29902789 {source="Europe PMC"} xref: PMID:31842942 {source="Europe PMC"} xref: PMID:32302325 {source="Europe PMC"} xref: PMID:32586692 {source="Europe PMC"} xref: PMID:32903474 {source="Europe PMC"} xref: PMID:33345336 {source="Europe PMC"} xref: PMID:33423953 {source="Europe PMC"} xref: Reaxys:3213668 {source="Reaxys"} xref: Wikipedia:Levomethadone is_a: CHEBI:167309 ! 6-(dimethylamino)-4,4-diphenylheptan-3-one relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: is_enantiomer_of CHEBI:167308 ! dextromethadone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "USSIQXCVUWKGNF-QGZVFWFLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.20926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:136184 name: jasmonic acid anion namespace: chebi_ontology def: "A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of jasmonic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "a jasmonate" RELATED [UniProt] synonym: "jasmonate anion" RELATED [ChEBI] synonym: "{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:Jasmonic-Acids is_a: CHEBI:35975 ! 5-oxo monocarboxylic acid anion relationship: has_role CHEBI:24937 ! jasmonates property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNJFBWYDHIGLCU-ARJAWSKDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.11832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(CCC1=O)CC([O-])=O)C/C=C\\CC" xsd:string [Term] id: CHEBI:13643 name: glycol namespace: chebi_ontology def: "A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent." [] subset: 3_STAR synonym: "glycols" EXACT IUPAC_NAME [IUPAC] synonym: "Glykol" RELATED [ChEBI] is_a: CHEBI:23824 ! diol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:136622 name: aci-nitro compound namespace: chebi_ontology def: "Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds." [] subset: 3_STAR synonym: "aci-nitro compounds" RELATED [ChEBI] synonym: "oxime N-oxide" RELATED [ChEBI] synonym: "oxime N-oxides" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_functional_parent CHEBI:25750 ! oxime relationship: is_tautomer_of CHEBI:35716 ! C-nitro compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.00073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(*)(=[N+](O)[O-])*" xsd:string [Term] id: CHEBI:136643 name: propesticide namespace: chebi_ontology def: "A prodrug that, on administration, undergoes chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active pesticide for which it is a propesticide." [] subset: 3_STAR synonym: "pro-pesticide" RELATED [ChEBI] synonym: "pro-pesticides" RELATED [ChEBI] synonym: "propesticides" RELATED [ChEBI] xref: AGR:IND84086009 {source="Europe PMC"} xref: PMID:26449612 {source="Europe PMC"} is_a: CHEBI:136859 ! pro-agent is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:136644 name: proinsecticide namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proinsecticide." [] subset: 3_STAR synonym: "pro-insecticide" RELATED [ChEBI] synonym: "pro-insecticides" RELATED [ChEBI] synonym: "proinsecticides" RELATED [ChEBI] xref: AGR:IND20386178 {source="Europe PMC"} xref: AGR:IND84086011 {source="Europe PMC"} xref: AGR:IND89021681 {source="Europe PMC"} xref: AGR:IND92003154 {source="Europe PMC"} xref: PMID:16172027 {source="Europe PMC"} xref: PMID:26449612 {source="Europe PMC"} xref: PMID:27414472 {source="Europe PMC"} xref: PMID:27976502 {source="Europe PMC"} is_a: CHEBI:136643 ! propesticide is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:136646 name: proherbicide namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide." [] subset: 3_STAR synonym: "pro-herbicide" RELATED [ChEBI] synonym: "pro-herbicides" RELATED [ChEBI] synonym: "proherbicides" RELATED [ChEBI] xref: AGR:IND43789627 {source="Europe PMC"} xref: PMID:12232216 {source="Europe PMC"} xref: PMID:26449612 {source="Europe PMC"} xref: PMID:27280658 {source="Europe PMC"} is_a: CHEBI:136643 ! propesticide is_a: CHEBI:24527 ! herbicide [Term] id: CHEBI:136684 name: pyrazolooxadiazepine namespace: chebi_ontology def: "An organic heterobicyclic compound whose skeleton consists of a pyrazole ring ortho-fused to a diazepine ring." [] subset: 3_STAR synonym: "pyrazolooxadiazepin" RELATED [ChEBI] synonym: "pyrazolooxadiazepines" RELATED [ChEBI] synonym: "pyrazolooxadiazepins" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:1367 name: 3,3',4,4'-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines." [] subset: 3_STAR synonym: "3,3',4,4'-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "3,4,3',4'-Tetra coplanar polychlorinated biphenyl" RELATED [ChemIDplus] synonym: "3,4,3',4'-Tetrachlorobiphenyl" RELATED [KEGG_COMPOUND] synonym: "PCB 77" RELATED [KEGG_COMPOUND] xref: Beilstein:2051251 {source="Beilstein"} xref: CAS:32598-13-3 {source="NIST Chemistry WebBook"} xref: CAS:32598-13-3 {source="ChemIDplus"} xref: CAS:32598-13-3 {source="KEGG COMPOUND"} xref: KEGG:C11057 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UQMGJOKDKOLIDP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:136702 name: ximelagatran (hydroxylamine form) namespace: chebi_ontology def: "A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted into the corresponding ethyl ester and in which the amidine group has been converted to the corresponding hydroxylamine. Tautomeric with the oxime form of ximelagatran." [] subset: 3_STAR synonym: "ethyl ({(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl}amino)acetate" EXACT IUPAC_NAME [IUPAC] xref: PMID:28338626 {source="Europe PMC"} xref: Reaxys:9741940 {source="Reaxys"} is_a: CHEBI:140325 ! secondary carboxamide is_a: CHEBI:140326 ! tertiary carboxamide is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:24709 ! hydroxylamines is_a: CHEBI:38777 ! azetidines relationship: is_tautomer_of CHEBI:65172 ! ximelagatran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H35N5O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXIBCJHYVWYIKI-PZJWPPBQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "473.566" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "473.26382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1N([C@@](C1)(C(=O)NCC=2C=CC(C(NO)=N)=CC2)[H])C([C@H](NCC(=O)OCC)C3CCCCC3)=O" xsd:string [Term] id: CHEBI:136849 name: 3-oxo-Delta(4)-steroid group namespace: chebi_ontology def: "An organic group derived from any 3-oxo-Delta(4)-steroid." [] subset: 3_STAR synonym: "a 3-oxo-Delta4-steroid group" RELATED [UniProt] is_a: CHEBI:33247 ! organic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.111" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C*)*C(CC1=O)*" xsd:string [Term] id: CHEBI:136859 name: pro-agent namespace: chebi_ontology def: "A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent." [] subset: 3_STAR synonym: "pro-agents" RELATED [ChEBI] synonym: "proagent" RELATED [ChEBI] synonym: "proagents" RELATED [ChEBI] xref: PMID:26449612 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] id: CHEBI:136889 name: 5beta steroid namespace: chebi_ontology def: "Any steroid that has beta-configuration at position 5." [] subset: 3_STAR synonym: "5beta steroids" RELATED [ChEBI] synonym: "5beta-steroid" RELATED [ChEBI] synonym: "5beta-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:13719 name: acetylsalicylate namespace: chebi_ontology def: "A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-(acetyloxy)benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "acetylsalicylate" EXACT [UniProt] xref: Beilstein:3906821 {source="Beilstein"} xref: HMDB:HMDB0001879 xref: MetaCyc:CPD-524 xref: Reaxys:3906821 {source="Reaxys"} is_a: CHEBI:22718 ! benzoates relationship: has_functional_parent CHEBI:30762 ! salicylate relationship: is_conjugate_base_of CHEBI:15365 ! acetylsalicylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSYNRYMUTXBXSQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.14948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.03498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Oc1ccccc1C([O-])=O" xsd:string [Term] id: CHEBI:137419 name: secondary ammonium ion namespace: chebi_ontology def: "An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3." [] subset: 3_STAR synonym: "a secondary amine" RELATED [UniProt] synonym: "secondary amine(1+)" RELATED [ChEBI] xref: MetaCyc:Secondary-Amines is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:32863 ! secondary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2NR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[NH+](*)[H]" xsd:string [Term] id: CHEBI:137504 name: quinoxaline herbicide namespace: chebi_ontology def: "A quinoxaline pesticide that has herbicidal activity." [] subset: 3_STAR synonym: "quinoxaline herbicides" RELATED [ChEBI] is_a: CHEBI:38821 ! quinoxaline pesticide relationship: has_role CHEBI:24527 ! herbicide [Term] id: CHEBI:137507 name: quizalofop-P namespace: chebi_ontology def: "A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has R configuration. An acetyl-CoA carboxylase inhibitor, it is used (generally as the corresponding ethyl or tefuryl ester proherbicides) for the control of annual and perennial grass weeds in sugar beet." [] subset: 3_STAR synonym: "(+)-quizalofop" RELATED [ChEBI] synonym: "(+)-quizalofop-acid" RELATED [ChEBI] synonym: "(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid" RELATED [Alan_Wood's_Pesticides] synonym: "(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(+)-quizalofop" RELATED [ChemIDplus] synonym: "(R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid" RELATED [Alan_Wood's_Pesticides] synonym: "(R)-quizalofop" RELATED [ChEBI] synonym: "DPX-Y 6202-31" RELATED [ChemIDplus] xref: CAS:94051-08-8 {source="ChemIDplus"} xref: CAS:94051-08-8 {source="Alan Wood's Pesticides"} xref: Pesticides:quizalofop-p {source="Alan Wood's Pesticides"} xref: PMID:24964043 {source="Europe PMC"} xref: PMID:26971169 {source="Europe PMC"} xref: PMID:28692891 {source="Europe PMC"} xref: Reaxys:8395822 {source="Reaxys"} is_a: CHEBI:137504 ! quinoxaline herbicide is_a: CHEBI:137509 ! 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: is_enantiomer_of CHEBI:137513 ! (S)-quizalofop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABOOPXYCKNFDNJ-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.05638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@@H](C(O)=O)C" xsd:string [Term] id: CHEBI:137509 name: 2-\{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid namespace: chebi_ontology def: "A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group." [] subset: 3_STAR synonym: "2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38771 ! quinoxaline derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABOOPXYCKNFDNJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.05638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)OC(C(O)=O)C" xsd:string [Term] id: CHEBI:137513 name: (S)-quizalofop namespace: chebi_ontology def: "A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has S configuration. It is the (inactive) enantiomer of the herbicide quizalofop-P." [] subset: 3_STAR synonym: "(-)-quizalofop" RELATED [ChEBI] synonym: "(-)-quizalofop-acid" RELATED [ChEBI] synonym: "(2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid" RELATED [ChEBI] is_a: CHEBI:137509 ! 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid relationship: is_enantiomer_of CHEBI:137507 ! quizalofop-P property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABOOPXYCKNFDNJ-JTQLQIEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.05638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@H](C(O)=O)C" xsd:string [Term] id: CHEBI:137626 name: EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of 11beta-hydroxysteroid dehydrogenase (EC 1.1.1.146)." [] subset: 3_STAR synonym: "11beta-hydroxy steroid dehydrogenase inhibitor" RELATED [ChEBI] synonym: "11beta-hydroxy steroid dehydrogenase inhibitors" RELATED [ChEBI] synonym: "11beta-hydroxysteroid dehydrogenase inhibitor" RELATED [ChEBI] synonym: "11beta-hydroxysteroid dehydrogenase inhibitors" RELATED [ChEBI] synonym: "11beta-hydroxysteroid dehydrogenase type 1 inhibitor" RELATED [ChEBI] synonym: "11beta-hydroxysteroid dehydrogenase type 1 inhibitors" RELATED [ChEBI] synonym: "11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "beta-hydroxysteroid dehydrogenase inhibitor" RELATED [ChEBI] synonym: "beta-hydroxysteroid dehydrogenase inhibitors" RELATED [ChEBI] synonym: "corticosteroid 11-reductase inhibitor" RELATED [ChEBI] synonym: "corticosteroid 11-reductase inhibitors" RELATED [ChEBI] synonym: "corticosteroid 11beta-dehydrogenase inhibitor" RELATED [ChEBI] synonym: "corticosteroid 11beta-dehydrogenase inhibitors" RELATED [ChEBI] synonym: "dehydrogenase, 11beta-hydroxy steroid inhibitor" RELATED [ChEBI] synonym: "dehydrogenase, 11beta-hydroxy steroid inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.146 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.146 inhibitors" RELATED [ChEBI] is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:137937 name: ethyl 2-\{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate namespace: chebi_ontology def: "An ethyl ester resulting from the formal condensation of the carboxy group of 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid with ethanol." [] subset: 3_STAR synonym: "ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate" RELATED [ChEBI] xref: PPDB:582 is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38771 ! quinoxaline derivative relationship: has_functional_parent CHEBI:137509 ! 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSUHJPCHFDQAIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.08768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)OC(C(OCC)=O)C" xsd:string [Term] id: CHEBI:137938 name: quizalofop-P-ethyl namespace: chebi_ontology def: "An ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate that has R configuration. A proherbicide for quizalofop-P, it is used to control annual and perennial grass weeds in a variety of crops, including potatoes, sugar beet, peanuts, cotton and flax." [] subset: 3_STAR synonym: "(+)-quizalofop-ethyl" RELATED [ChEBI] synonym: "ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate" RELATED [Alan_Wood's_Pesticides] synonym: "ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" EXACT IUPAC_NAME [IUPAC] xref: CAS:100646-51-3 {source="Alan Wood's Pesticides"} xref: CAS:100646-51-3 {source="NIST Chemistry WebBook"} xref: CAS:100646-51-3 {source="ChemIDplus"} xref: Pesticides:derivatives/quizalofop-p-ethyl {source="Alan Wood's Pesticides"} xref: PMID:17090107 {source="Europe PMC"} xref: PMID:17938739 {source="Europe PMC"} xref: PMID:24964043 {source="Europe PMC"} xref: PMID:26139867 {source="Europe PMC"} xref: PMID:26971169 {source="Europe PMC"} xref: PMID:27987479 {source="Europe PMC"} xref: PMID:28027504 {source="Europe PMC"} xref: PMID:28027508 {source="Europe PMC"} xref: PMID:28490371 {source="Europe PMC"} xref: PPDB:583 xref: Reaxys:13263419 {source="Reaxys"} xref: Reaxys:9648298 {source="Reaxys"} is_a: CHEBI:137504 ! quinoxaline herbicide is_a: CHEBI:137937 ! ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate relationship: has_functional_parent CHEBI:137507 ! quizalofop-P relationship: has_role CHEBI:136646 ! proherbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: is_enantiomer_of CHEBI:137939 ! (S)-quizalofop-ethyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSUHJPCHFDQAIT-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.08768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@@H](C(OCC)=O)C" xsd:string [Term] id: CHEBI:137939 name: (S)-quizalofop-ethyl namespace: chebi_ontology def: "An ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate that has S configuration." [] subset: 3_STAR synonym: "ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate" RELATED [ChEBI] xref: PMID:22566128 {source="Europe PMC"} is_a: CHEBI:137937 ! ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate relationship: is_enantiomer_of CHEBI:137938 ! quizalofop-P-ethyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSUHJPCHFDQAIT-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.08768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C2C(=N1)C=C(C=C2)Cl)OC3=CC=C(C=C3)O[C@H](C(OCC)=O)C" xsd:string [Term] id: CHEBI:137978 name: 1,3-dichloropropane namespace: chebi_ontology def: "A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine." [] subset: 3_STAR synonym: "1,3-DCP" RELATED [ChEBI] synonym: "1,3-dichloropropane" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-dichloropropane" EXACT [UniProt] synonym: "CH2ClCH2CH2Cl" RELATED [ChEBI] synonym: "Cl(CH2)3Cl" RELATED [ChEBI] synonym: "ClCH2CH2CH2Cl" RELATED [ChEBI] synonym: "trimethylene dichloride" RELATED [ChemIDplus] xref: AGR:IND23328194 {source="Europe PMC"} xref: CAS:142-28-9 {source="ChemIDplus"} xref: CAS:142-28-9 {source="NIST Chemistry WebBook"} xref: Patent:EP1067105 xref: PMID:14709629 {source="Europe PMC"} xref: PMID:28416262 {source="Europe PMC"} xref: PMID:9008720 {source="Europe PMC"} xref: Reaxys:505960 {source="Reaxys"} is_a: CHEBI:23115 ! chlorohydrocarbon is_a: CHEBI:23128 ! chloroalkane relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YHRUOJUYPBUZOS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.986" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCCCl" xsd:string [Term] id: CHEBI:137980 name: metalloid atom namespace: chebi_ontology def: "An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included." [] subset: 3_STAR synonym: "metalloid" RELATED [ChEBI] synonym: "metalloids" RELATED [ChEBI] xref: Wikipedia:Metalloid is_a: CHEBI:33250 ! atom [Term] id: CHEBI:137982 name: tertiary ammonium ion namespace: chebi_ontology def: "An organic cation obtained by protonation of the amino group of any tertiary amino compound." [] subset: 3_STAR synonym: "a tertiary amine" RELATED [UniProt] synonym: "tertiary amine(1+)" RELATED [ChEBI] synonym: "tertiary ammonium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH+](*)(*)*" xsd:string [Term] id: CHEBI:138000 name: 3-(1-methylpyrrolidin-2-yl)pyridine namespace: chebi_ontology def: "An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2." [] subset: 3_STAR synonym: "3-(1-methylpyrrolidin-2-yl)pyridine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26416 ! pyridine alkaloid is_a: CHEBI:26456 ! pyrrolidine alkaloid is_a: CHEBI:46775 ! N-alkylpyrrolidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNICXCGAKADSCV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.232" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.11570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(C2N(CCC2)C)C=NC1" xsd:string [Term] id: CHEBI:138001 name: 2-bromophenyl 2,4-dibromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 2', and 4 positions have been replaced by bromines." [] subset: 3_STAR synonym: "2,2',4-triBDE" RELATED [ChEBI] synonym: "2,2',4-tribromodiphenyl ether" RELATED [ChemIDplus] synonym: "2,4-dibromo-1-(2-bromophenoxy)benzene" RELATED [ChemIDplus] synonym: "2,4-dibromophenyl 2-bromophenyl ether" RELATED [ChemIDplus] synonym: "2-bromophenyl 2,4-dibromophenyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "2-bromophenyl(2,4-dibromophenyl) ether" RELATED [ChemIDplus] synonym: "BDE 17" RELATED [ChEBI] synonym: "BDE-17" RELATED [ChEBI] synonym: "PBDE 17" RELATED [ChemIDplus] synonym: "PBDE-17" RELATED [ChEBI] xref: CAS:147217-75-2 {source="ChemIDplus"} xref: PMID:23959216 {source="Europe PMC"} xref: PMID:25463252 {source="Europe PMC"} xref: PMID:26791419 {source="Europe PMC"} xref: PMID:26809479 {source="Europe PMC"} xref: PMID:27836138 {source="Europe PMC"} xref: PMID:28013469 {source="Europe PMC"} xref: PMID:28167443 {source="Europe PMC"} xref: PMID:28293827 {source="Europe PMC"} xref: Reaxys:8410171 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Br3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYBFILXLBMWOLI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.80470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C=CC=CC1Br)C=2C(=CC(=CC2)Br)Br" xsd:string [Term] id: CHEBI:138015 name: endocrine disruptor namespace: chebi_ontology def: "Any compound that can disrupt the functions of the endocrine (hormone) system" [] subset: 3_STAR synonym: "endocrine disrupting chemical" RELATED [ChEBI] synonym: "endocrine disrupting chemicals" RELATED [ChEBI] synonym: "endocrine disrupting compound" RELATED [ChEBI] synonym: "endocrine disrupting compounds" RELATED [ChEBI] synonym: "endocrine disruptors" RELATED [ChEBI] synonym: "endocrine-disrupting chemical" RELATED [ChEBI] synonym: "endocrine-disrupting chemicals" RELATED [ChEBI] synonym: "hormonally active agent" RELATED [ChEBI] synonym: "hormonally active agents" RELATED [ChEBI] xref: PMID:27929035 {source="Europe PMC"} xref: PMID:28356401 {source="Europe PMC"} xref: PMID:28526231 {source="Europe PMC"} xref: Wikipedia:Endocrine_disruptor is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:138036 name: 4-bromophenyl 2,4-dibromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, and 4' positions have been replaced by bromines." [] subset: 3_STAR synonym: "2,4,4'-triBDE" RELATED [ChEBI] synonym: "2,4,4'-tribrominated diphenyl ether" RELATED [ChEBI] synonym: "2,4,4'-tribromodiphenyl ether" RELATED [ChemIDplus] synonym: "2,4-dibromo-1-(4-bromophenoxy)benzene" RELATED [ChEBI] synonym: "4-bromophenyl 2,4-dibromophenyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "BDE-28" RELATED [ChemIDplus] synonym: "BDE28" RELATED [ChEBI] synonym: "PBDE 28" RELATED [ChemIDplus] synonym: "PBDE-28" RELATED [ChEBI] synonym: "tribromodiphenyl ether 28" RELATED [ChemIDplus] xref: CAS:41318-75-6 {source="ChemIDplus"} xref: CAS:41318-75-6 {source="NIST Chemistry WebBook"} xref: PMID:22266365 {source="Europe PMC"} xref: PMID:24191540 {source="Europe PMC"} xref: PMID:24191731 {source="Europe PMC"} xref: PMID:26743650 {source="Europe PMC"} xref: PMID:27573363 {source="Europe PMC"} xref: PMID:28293827 {source="Europe PMC"} xref: PMID:28436496 {source="Europe PMC"} xref: PMID:28557710 {source="Europe PMC"} xref: Reaxys:2530803 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Br3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UPNBETHEXPIWQX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.80470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C=CC(=CC1Br)Br)C=2C=CC(=CC2)Br" xsd:string [Term] id: CHEBI:138038 name: 2,4-dibromophenyl 3,4-dibromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 3', and 4' positions have been replaced by bromines." [] subset: 3_STAR synonym: "1,2-dibromo-4-(2,4-dibromophenoxy)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "2,3',4,4'-tetra-BDE" RELATED [ChEBI] synonym: "2,3',4,4'-tetrabromodiphenyl ether" RELATED [ChemIDplus] synonym: "2,4,3',4`-tetrabromodiphenyl ether" RELATED [ChEBI] synonym: "2,4-dibromo-1-(3,4-dibromophenoxy)benzene" RELATED [ChEBI] synonym: "BDE 66" RELATED [ChEBI] synonym: "BDE-66" RELATED [ChEBI] synonym: "PBDE 66" RELATED [ChEBI] synonym: "PBDE-66" RELATED [ChEBI] xref: CAS:189084-61-5 {source="ChemIDplus"} xref: CAS:189084-61-5 {source="NIST Chemistry WebBook"} xref: PMID:24290225 {source="Europe PMC"} xref: PMID:26194239 {source="Europe PMC"} xref: PMID:26942685 {source="Europe PMC"} xref: PMID:28013469 {source="Europe PMC"} xref: PMID:28293827 {source="Europe PMC"} xref: Reaxys:8417297 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Br4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHUMTYRHKMCVAG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "485.790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "481.71522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C=CC(=CC1Br)Br)C=2C=CC(=C(C2)Br)Br" xsd:string [Term] id: CHEBI:138064 name: 2,4-dibromophenyl 2,3,4-tribromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 3, 4, 2', and 4' positions have been replaced by bromines." [] subset: 3_STAR synonym: "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene" RELATED [ChEBI] synonym: "2,2',3,4,4'-penta-BDE" RELATED [ChEBI] synonym: "2,2',3,4,4'-pentabromodiphenyl ether" RELATED [ChemIDplus] synonym: "2,4-dibromophenyl 2,3,4-tribromophenyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "BDE 85" RELATED [ChemIDplus] synonym: "BDE-85" RELATED [ChEBI] synonym: "PBDE 85" RELATED [ChemIDplus] synonym: "PBDE-85" RELATED [ChEBI] xref: CAS:182346-21-0 {source="ChemIDplus"} xref: HMDB:HMDB0037516 xref: PMID:18762292 {source="Europe PMC"} xref: PMID:21772022 {source="Europe PMC"} xref: PMID:26785211 {source="Europe PMC"} xref: PMID:26942685 {source="Europe PMC"} xref: PMID:28013469 {source="Europe PMC"} xref: Reaxys:7538430 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Br5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMLQSUZPTTUUDP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "564.686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "559.62573" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C=CC(=C(C1Br)Br)Br)C=2C=CC(=CC2Br)Br" xsd:string [Term] id: CHEBI:138065 name: 2,4-dibromophenyl 2,4,6-tribromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 6, 2', and 4' positions have been replaced by bromines." [] subset: 3_STAR synonym: "1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene" RELATED [ChemIDplus] synonym: "2,2',4,4',6-brominated diphenyl ether" RELATED [ChemIDplus] synonym: "2,4-dibromophenyl 2,4,6-tribromophenyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "BDE 100" RELATED [ChemIDplus] synonym: "BDE-100" RELATED [ChemIDplus] synonym: "BDE100" RELATED [ChEBI] synonym: "PBDE 100" RELATED [ChemIDplus] synonym: "PBDE-100" RELATED [ChEBI] synonym: "PBDE100" RELATED [ChEBI] synonym: "pentabrominated diphenyl ether 100" RELATED [ChemIDplus] xref: CAS:189084-64-8 {source="ChemIDplus"} xref: HMDB:HMDB0037516 xref: PMID:16507514 {source="Europe PMC"} xref: PMID:21390402 {source="Europe PMC"} xref: PMID:22884212 {source="Europe PMC"} xref: PMID:23302053 {source="Europe PMC"} xref: PMID:25629761 {source="Europe PMC"} xref: PMID:26906616 {source="Europe PMC"} xref: PMID:27068391 {source="Europe PMC"} xref: PMID:27234317 {source="Europe PMC"} xref: PMID:28395225 {source="Europe PMC"} xref: PMID:28557710 {source="Europe PMC"} xref: Reaxys:8152285 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Br5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSKIRYMHNFTRLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "564.686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "559.62573" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C(=CC(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br" xsd:string [Term] id: CHEBI:138089 name: perfluorooctanesulfonamide namespace: chebi_ontology def: "A perfluorinated compound that is perfluorooctane in which one of the terminal fluorines has been replace by a sulfamoyl group." [] subset: 3_STAR synonym: "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "heptadecafluorooctanesulphonamide" RELATED [ChemIDplus] synonym: "perfluoroctylsulfonamide" RELATED [ChemIDplus] synonym: "perfluorooctane sulfonamide" RELATED [ChEBI] synonym: "perfluorooctanesulfonic acid amide" RELATED [ChemIDplus] synonym: "PFOSA" RELATED [ChEBI] xref: CAS:754-91-6 {source="ChemIDplus"} xref: PMID:16720684 {source="Europe PMC"} xref: PMID:16786681 {source="Europe PMC"} xref: PMID:17295423 {source="Europe PMC"} xref: PMID:17384769 {source="Europe PMC"} xref: PMID:18007991 {source="Europe PMC"} xref: PMID:20951402 {source="Europe PMC"} xref: PMID:25222623 {source="Europe PMC"} xref: PMID:26053759 {source="Europe PMC"} xref: PMID:27239709 {source="Europe PMC"} xref: PMID:27276029 {source="Europe PMC"} xref: PMID:28092384 {source="Europe PMC"} xref: PMID:28350446 {source="Europe PMC"} xref: Reaxys:1813858 {source="Reaxys"} xref: Wikipedia:Perfluorooctanesulfonamide is_a: CHEBI:134091 ! perfluorinated compound is_a: CHEBI:35358 ! sulfonamide relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H2F17NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRRXPPIDPYTNJG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "499.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "498.95348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C(C(C(C(C(C(S(N)(=O)=O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F" xsd:string [Term] id: CHEBI:138103 name: inorganic acid namespace: chebi_ontology def: "A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water." [] subset: 3_STAR synonym: "inorganic acids" RELATED [ChEBI] synonym: "mineral acid" RELATED [ChEBI] synonym: "mineral acids" RELATED [ChEBI] xref: Wikipedia:Mineral_acid is_a: CHEBI:39141 ! Bronsted acid [Term] id: CHEBI:138141 name: 17alpha-hydroxy-C21-steroid namespace: chebi_ontology def: "Any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure." [] subset: 3_STAR synonym: "a 17alpha-hydroxy-C21-steroid" RELATED [UniProt] xref: MetaCyc:17a-hydroxy-C21-steroids {source="SUBMITTER"} is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:61313 ! C21-steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H36O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H36O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h15-18,22H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JSIVWCLRCGAVHN-ILZKQPLKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.511" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.27662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCC2C1(C3C(CC2)C4C(CC3)([C@](CC4)(CC)O)C)C" xsd:string [Term] id: CHEBI:138163 name: fomesafen(1-) namespace: chebi_ontology def: "An organic nitrogen anion resulting from the removal of a proton from the N-sulfonylcarboxamide moiety of fomesafen." [] subset: 3_STAR synonym: "{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}(methylsulfonyl)azanide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50335 ! organic nitrogen anion relationship: is_conjugate_base_of CHEBI:81925 ! fomesafen property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H9ClF3N2O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BGZZWXTVIYUUEY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "437.757" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "436.98274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)[N-]S(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F" xsd:string [Term] id: CHEBI:138208 name: carotenoid biosynthesis inhibitor namespace: chebi_ontology def: "Any pathway inhibitor that acts on the carotenoid biosynthesis pathway." [] subset: 3_STAR synonym: "carotenogenesis inhibitor" RELATED [ChEBI] synonym: "carotenogenesis inhibitors" RELATED [ChEBI] synonym: "carotenoid biosynthesis inhibitors" RELATED [ChEBI] synonym: "carotenoid-biosynthesis inhibitor" RELATED [ChEBI] synonym: "carotenoid-biosynthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:138366 name: bile acids namespace: chebi_ontology def: "Any member of a group of hydroxy steroids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration, while in lower vertebrates, some bile acids, known as allo-bile acids, have 5alpha-configuration." [] subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35350 ! hydroxy steroid is_a: CHEBI:36078 ! cholanoid [Term] id: CHEBI:13850 name: apoprotein namespace: chebi_ontology def: "An apoprotein is a protein devoid of its characteristic prosthetic group or metal." [] subset: 3_STAR synonym: "apoprotein" EXACT IUPAC_NAME [IUPAC] synonym: "apoproteins" RELATED [ChEBI] xref: KEGG:C16240 is_a: CHEBI:38560 ! simple protein relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:138518 name: dialkyl phosphate(1-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any dialkyl phosphate; major species at pH 7.3." [] subset: 3_STAR synonym: "a dialkyl phosphate" RELATED [UniProt] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16648 ! dialkyl phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.971" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.95342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "P(O*)(O*)([O-])=O" xsd:string [Term] id: CHEBI:138625 name: (+)-jasmonic acid anion namespace: chebi_ontology def: "A jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-jasmonic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "(1S,2S)-jasmonic acid anion" RELATED [ChEBI] synonym: "(3S,7S)-jasmonate" RELATED [UniProt] synonym: "{(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetate" EXACT IUPAC_NAME [IUPAC] xref: PMID:11287667 {source="SUBMITTER"} xref: Pubchem:7251180 {source="SUBMITTER"} is_a: CHEBI:136184 ! jasmonic acid anion relationship: is_conjugate_base_of CHEBI:139300 ! (+)-jasmonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNJFBWYDHIGLCU-CMIOBCHKSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.11832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)([O-])C[C@H]1[C@@H](C(CC1)=O)C/C=C\\CC" xsd:string [Term] id: CHEBI:138675 name: gas molecular entity namespace: chebi_ontology def: "Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa)." [] subset: 3_STAR synonym: "gas molecular entities" RELATED [ChEBI] synonym: "gaseous molecular entities" RELATED [ChEBI] synonym: "gaseous molecular entity" RELATED [ChEBI] xref: Wikipedia:https\://en.wikipedia.org/wiki/Gas is_a: CHEBI:33579 ! main group molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:138880 name: autophagy inducer namespace: chebi_ontology def: "Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell)." [] subset: 3_STAR synonym: "autophagocytosis inducer" RELATED [ChEBI] synonym: "autophagocytosis inducers" RELATED [ChEBI] synonym: "autophagy inducers" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:139120 name: carotenoid beta-end derivative name: carotenoid beta-end group namespace: chebi_ontology def: "Any carotenoid derivative with an beta-end group" [] subset: 2_STAR synonym: "a carotenoid beta-end derivative" RELATED [UniProt] xref: MetaCyc:Carotenoid-beta-end-group {source="SUBMITTER"} is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H27R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.21128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/*)/C)/C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:139218 name: secondary nitroalkane namespace: chebi_ontology def: "A nitroalkane in which the nitro group, -NO2, is attached to a saturated carbon atom which has two other carbon atoms attached to it. Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "a secondary nitroalkane" RELATED [UniProt] xref: PMID:15609931 {source="Europe PMC"} xref: PMID:1719412 {source="Europe PMC"} xref: PMID:22543734 {source="Europe PMC"} xref: PMID:7762004 {source="Europe PMC"} xref: PMID:9437534 {source="Europe PMC"} is_a: CHEBI:7587 ! nitroalkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.00073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+]([O-])=O)(*)*" xsd:string [Term] id: CHEBI:139300 name: (+)-jasmonic acid namespace: chebi_ontology def: "An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring." [] subset: 3_STAR synonym: "(1S,2S)-jasmonic acid" RELATED [ChEBI] synonym: "{(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:2415413 {source="Reaxys"} is_a: CHEBI:35871 ! oxo monocarboxylic acid is_a: CHEBI:36140 ! cyclopentanones relationship: has_role CHEBI:24937 ! jasmonates relationship: is_conjugate_acid_of CHEBI:138625 ! (+)-jasmonic acid anion relationship: is_enantiomer_of CHEBI:18292 ! jasmonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNJFBWYDHIGLCU-CMIOBCHKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.12559" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(O)C[C@H]1[C@@H](C(CC1)=O)C/C=C\\CC" xsd:string [Term] id: CHEBI:139361 name: TRP channel blocker namespace: chebi_ontology def: "An agent that inhibits the passage of cations through the transient receptor potential (TRP) channels." [] subset: 3_STAR synonym: "transient receptor potential channel blocker" RELATED [ChEBI] synonym: "transient receptor potential channel blockers" RELATED [ChEBI] synonym: "TRP channel blockers" RELATED [ChEBI] xref: PMID:17445088 {source="Europe PMC"} xref: PMID:21198543 {source="Europe PMC"} xref: PMID:21607648 {source="Europe PMC"} xref: PMID:22308955 {source="Europe PMC"} xref: Wikipedia:Transient_receptor_potential_channel is_a: CHEBI:142783 ! TRP channel modulator [Term] id: CHEBI:13941 name: carbamate namespace: chebi_ontology subset: 3_STAR synonym: "Carbamat" RELATED [ChEBI] synonym: "carbamate" EXACT [UniProt] synonym: "carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "carbamate ion" RELATED [ChemIDplus] synonym: "carbamic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Karbamat" RELATED [ChEBI] xref: Beilstein:3903503 {source="Beilstein"} xref: CAS:302-11-4 {source="ChemIDplus"} xref: Gmelin:239604 {source="Gmelin"} is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.03212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.00910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([O-])=O" xsd:string [Term] id: CHEBI:139492 name: sensitiser namespace: chebi_ontology def: "A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound." [] subset: 3_STAR synonym: "sensitisers" RELATED [ChEBI] synonym: "sensitizer" RELATED [ChEBI] synonym: "sensitizers" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:139512 name: EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor namespace: chebi_ontology def: "An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9." [] subset: 3_STAR synonym: "acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor" RELATED [ChEBI] synonym: "acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.9 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.9 inhibitors" RELATED [ChEBI] synonym: "enoyl-[acyl carrier protein] reductase inhibitor" RELATED [ChEBI] synonym: "enoyl-[acyl carrier protein] reductase inhibitors" RELATED [ChEBI] synonym: "enoyl-ACP reductase inhibitor" RELATED [ChEBI] synonym: "enoyl-ACP reductase inhibitors" RELATED [ChEBI] synonym: "ENR inhibitor" RELATED [ChEBI] synonym: "ENR inhibitors" RELATED [ChEBI] synonym: "NADH-enoyl acyl carrier protein reductase inhibitor" RELATED [ChEBI] synonym: "NADH-enoyl acyl carrier protein reductase inhibitors" RELATED [ChEBI] synonym: "NADH-specific enoyl-ACP reductase inhibitor" RELATED [ChEBI] synonym: "NADH-specific enoyl-ACP reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Enoyl-acyl_carrier_protein_reductase is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:139588 name: alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety." [] subset: 3_STAR synonym: "alpha-hydroxy ketones" RELATED [ChEBI] synonym: "alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "alpha-hydroxyketone" RELATED [ChEBI] synonym: "alpha-hydroxyketones" RELATED [ChEBI] xref: PMID:15326516 {source="Europe PMC"} xref: PMID:19908854 {source="Europe PMC"} xref: PMID:20382022 {source="Europe PMC"} xref: PMID:23295224 {source="Europe PMC"} is_a: CHEBI:30879 ! alcohol is_a: CHEBI:52396 ! alpha-oxyketone [Term] id: CHEBI:139589 name: retinoid anion namespace: chebi_ontology def: "A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group." [] subset: 3_STAR synonym: "retinoate" RELATED [ChEBI] synonym: "retinoates" RELATED [ChEBI] synonym: "retinoid anions" RELATED [ChEBI] synonym: "retinoid carboxylate anion" RELATED [ChEBI] synonym: "retinoid carboxylate anions" RELATED [ChEBI] synonym: "retinoid carboxylic acid anion" RELATED [ChEBI] synonym: "retinoid carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:139590 name: primary alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group." [] subset: 3_STAR synonym: "primary alpha-hydroxy ketones" RELATED [ChEBI] synonym: "primary alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "primary alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "primary alpha-hydroxyketone" RELATED [ChEBI] synonym: "primary alpha-hydroxyketones" RELATED [ChEBI] is_a: CHEBI:139588 ! alpha-hydroxy ketone is_a: CHEBI:15734 ! primary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(C(O)([H])[H])=O" xsd:string [Term] id: CHEBI:139592 name: tertiary alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups." [] subset: 3_STAR synonym: "tertiary alpha-hydroxy ketones" RELATED [ChEBI] synonym: "tertiary alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "tertiary alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "tertiary alpha-hydroxyketone" RELATED [ChEBI] synonym: "tertiary alpha-hydroxyketones" RELATED [ChEBI] is_a: CHEBI:139588 ! alpha-hydroxy ketone is_a: CHEBI:26878 ! tertiary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)*)(O)(*)*" xsd:string [Term] id: CHEBI:140310 name: phenyl acetates namespace: chebi_ontology def: "An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of any phenol." [] subset: 3_STAR synonym: "a phenyl acetate" RELATED [UniProt] synonym: "phenyl acetate derivative" RELATED [ChEBI] synonym: "phenyl acetate derivatives" RELATED [ChEBI] xref: MetaCyc:Phenyl-Acetates is_a: CHEBI:22712 ! benzenes is_a: CHEBI:47622 ! acetate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H3O2R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.109" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)*)*)OC(=O)C" xsd:string [Term] id: CHEBI:140322 name: triketone namespace: chebi_ontology def: "A compound that contains three ketone functionalities." [] subset: 3_STAR synonym: "triketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:140323 name: beta-triketone namespace: chebi_ontology def: "A triketone in which the each ketone functionality is located beta- to the other two." [] subset: 3_STAR synonym: "beta-triketones" RELATED [ChEBI] is_a: CHEBI:140322 ! triketone [Term] id: CHEBI:140324 name: primary carboxamide namespace: chebi_ontology def: "A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2." [] subset: 3_STAR synonym: "primary carboxamides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.033" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(C(*)=O)([H])[H]" xsd:string [Term] id: CHEBI:140325 name: secondary carboxamide namespace: chebi_ontology def: "A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1)." [] subset: 3_STAR synonym: "secondary carboxamides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNOR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(C(*)=O)(*)[H]" xsd:string [Term] id: CHEBI:140326 name: tertiary carboxamide namespace: chebi_ontology def: "A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2)." [] subset: 3_STAR synonym: "tertiary carboxamides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(C(*)=O)(*)*" xsd:string [Term] id: CHEBI:140345 name: hydroxy polyunsaturated fatty acid namespace: chebi_ontology def: "Any polyunsaturated fatty acid carrying one or more hydroxy substituents." [] subset: 3_STAR is_a: CHEBI:24654 ! hydroxy fatty acid is_a: CHEBI:26208 ! polyunsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:131871 ! hydroxy polyunsaturated fatty acid anion [Term] id: CHEBI:140426 name: 2,4,6-trichlorophenolate namespace: chebi_ontology def: "A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol." [] subset: 3_STAR synonym: "2,4,6-trichlorophenol" RELATED [UniProt] synonym: "2,4,6-trichlorophenolate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:TRICHLOROPHENOL xref: PMID:8680829 {source="Europe PMC"} is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:28755 ! 2,4,6-trichlorophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H2Cl3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LINPIYWFGCPVIE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.439" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.91767" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C(=C(C(=CC1Cl)Cl)[O-])Cl" xsd:string [Term] id: CHEBI:140489 name: tropomyosin-related kinase B receptor agonist namespace: chebi_ontology def: "An agonist that binds to and deactivates the tropomyosin-related kinase B (TrkB) receptor, the main signaling receptor of the neurotrophin brain-derived neurotrophic factor (BDNF)." [] subset: 3_STAR synonym: "TrkB receptor agonist" RELATED [ChEBI] synonym: "TrkB receptor agonists" RELATED [ChEBI] synonym: "tropomyosin-related kinase B receptor agonists" RELATED [ChEBI] xref: Wikipedia:Tropomyosin_receptor_kinase_B is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:140503 name: kaolin is_a: CHEBI:48730 ! aluminosilicate mineral is_a: CHEBI:60004 ! mixture [Term] id: CHEBI:140601 name: fatty acid 4:0 namespace: chebi_ontology def: "Any saturated fatty acid containing 4 carbons." [] subset: 3_STAR is_a: CHEBI:26666 ! short-chain fatty acid relationship: is_conjugate_acid_of CHEBI:78115 ! fatty acid anion 4:0 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(O)=O" xsd:string [Term] id: CHEBI:140922 name: glioma-associated oncogene inhibitor namespace: chebi_ontology def: "An inhibitor of any of the glioma-associated oncogene (GLI) proteins." [] subset: 3_STAR synonym: "GLI inhibitor" RELATED [ChEBI] synonym: "GLI inhibitors" RELATED [ChEBI] synonym: "glioma-associated oncogene inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:140949 name: fatty acid 18:2 namespace: chebi_ontology subset: 2_STAR synonym: "FA 18:2" RELATED [ChEBI] synonym: "FA(18:2)" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(O)*" xsd:string [Term] id: CHEBI:141153 name: quinone outside inhibitor namespace: chebi_ontology def: "A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex." [] subset: 3_STAR synonym: "Qo inhibitor" RELATED [ChEBI] synonym: "Qo inhibitors" RELATED [ChEBI] synonym: "QOI" RELATED [ChEBI] synonym: "QOIs" RELATED [ChEBI] synonym: "quinone outside inhibitors" RELATED [ChEBI] xref: Wikipedia:QoI is_a: CHEBI:24127 ! fungicide is_a: CHEBI:38499 ! mitochondrial cytochrome-bc1 complex inhibitor [Term] id: CHEBI:141347 name: pinoxaden acid namespace: chebi_ontology def: "An organic hydroxy compound resulting from the hydrolysis of the the pivalate ester group of the proherbicide pinoxaden." [] subset: 3_STAR synonym: "8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:31687354 {source="Reaxys"} is_a: CHEBI:136684 ! pyrazolooxadiazepine is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33822 ! organic hydroxy compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,21H,4-9H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YWZBGRYDSPLRHR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "316.395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "316.17869" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=C(C(=O)N2CCOCCN21)C3=C(CC)C=C(C)C=C3CC" xsd:string [Term] id: CHEBI:141349 name: 3,6-dichloro-2-methoxybenzoate namespace: chebi_ontology def: "A member of the class of benzoates resuting from the deprotonation of the carboxy group of 3,6-dichloro-2-methoxybenzoic acid (dicamba). Major microspecies at pH 7.3" [] subset: 3_STAR synonym: "3,6-dichloro-2-methoxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "3,6-dichloro-2-methoxybenzoate" EXACT [UniProt] synonym: "dicamba(1-)" RELATED [ChEBI] xref: MetaCyc:CPD-11248 is_a: CHEBI:22718 ! benzoates relationship: has_functional_parent CHEBI:59128 ! O-methylsalicylate relationship: is_conjugate_base_of CHEBI:81856 ! dicamba property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IWEDIXLBFLAXBO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.96212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(C(=C1OC)C([O-])=O)Cl)Cl" xsd:string [Term] id: CHEBI:141474 name: diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate namespace: chebi_ontology def: "A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group." [] subset: 3_STAR synonym: "diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:5381514 {source="Reaxys"} is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:51307 ! diester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19O6PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXSJBGJIGXNWCI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03607" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(OCC)=O)C(C(OCC)=O)SP(OC)(OC)=S" xsd:string [Term] id: CHEBI:141475 name: (R)-malathion namespace: chebi_ontology def: "A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the R-enantiomer of malathion." [] subset: 3_STAR synonym: "(R)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate" RELATED [ChEBI] synonym: "diethyl (2R)-2-[(dimethoxyphosphorothioyl)thio]succinate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:141474 ! diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate relationship: is_enantiomer_of CHEBI:141476 ! (S)-malathion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19O6PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXSJBGJIGXNWCI-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03607" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(OCC)=O)[C@H](C(OCC)=O)SP(OC)(OC)=S" xsd:string [Term] id: CHEBI:141476 name: (S)-malathion namespace: chebi_ontology def: "A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the S-enantiomer of malathion." [] subset: 3_STAR synonym: "(S)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate" RELATED [ChEBI] synonym: "diethyl (2S)-2-[(dimethoxyphosphorothioyl)thio]succinate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:5381515 {source="Reaxys"} is_a: CHEBI:141474 ! diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate relationship: is_enantiomer_of CHEBI:141475 ! (R)-malathion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19O6PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXSJBGJIGXNWCI-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03607" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(OCC)=O)[C@@H](C(OCC)=O)SP(OC)(OC)=S" xsd:string [Term] id: CHEBI:141493 name: carboxybiphenyl namespace: chebi_ontology def: "Any member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton." [] subset: 3_STAR synonym: "carboxybiphenyls" RELATED [ChEBI] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:22888 ! biphenyls [Term] id: CHEBI:141498 name: hemiaminal ether namespace: chebi_ontology def: "An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers." [] subset: 3_STAR synonym: "alpha-amino ether" RELATED [ChEBI] synonym: "alpha-amino ethers" RELATED [ChEBI] synonym: "hemiaminal ethers" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound is_a: CHEBI:50047 ! organic amino compound relationship: has_functional_parent CHEBI:73080 ! hemiaminal property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(C(O*)(*)*)(*)*" xsd:string [Term] id: CHEBI:141668 name: L-tyrosinal(1+) namespace: chebi_ontology def: "A primary ammonium ion resulting from the protonation of the amino group of L-tyrosinal." [] subset: 3_STAR synonym: "(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-1-(p-hydroxyphenyl)-3-oxopropan-2-aminium" RELATED [ChEBI] synonym: "L-tyrosinal" RELATED [UniProt] xref: MetaCyc:CPD-21526 xref: PMID:23281040 {source="SUBMITTER"} is_a: CHEBI:65296 ! primary ammonium ion relationship: is_conjugate_acid_of CHEBI:46209 ! L-tyrosinal property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/p+1/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DXGAIOIQACHYRK-QMMMGPOBSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.197" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C[C@@H]([NH3+])CC=1C=CC(=CC1)O" xsd:string [Term] id: CHEBI:142348 name: hexahydronaphthalenes namespace: chebi_ontology def: "Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens." [] subset: 3_STAR is_a: CHEBI:36785 ! carbobicyclic compound [Term] id: CHEBI:142355 name: purines D-ribonucleoside namespace: chebi_ontology def: "A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage." [] subset: 3_STAR synonym: "a purine D-ribonucleoside" RELATED [UniProt] is_a: CHEBI:26399 ! purine ribonucleoside relationship: has_functional_parent CHEBI:26386 ! purine nucleobase relationship: has_functional_parent CHEBI:47013 ! D-ribofuranose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11N4O4R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "251.219" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "251.07803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=*)NC(=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)*" xsd:string [Term] id: CHEBI:142468 name: 1,2-dichloropropane namespace: chebi_ontology def: "A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines." [] subset: 3_STAR xref: Reaxys:1718880 {source="Reaxys"} is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23128 ! chloroalkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KNKRKFALVUDBJE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.986" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CCl)Cl" xsd:string [Term] id: CHEBI:142469 name: (R)-1,2-dichloropropane namespace: chebi_ontology def: "A 1,2-dichloropropane that has R configuration." [] subset: 3_STAR synonym: "(2R)-1,2-dichloropropane" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-dichloro-1,2 propane" RELATED [ChEBI] synonym: "(R)-1,2-DCP" RELATED [ChEBI] synonym: "(R)-alpha,beta-dichloropropane" RELATED [ChEBI] synonym: "(R)-alpha,beta-propylene dichloride" RELATED [ChEBI] synonym: "(R)-propylene dichloride" RELATED [ChEBI] xref: PMID:28527381 {source="Europe PMC"} xref: Reaxys:1718882 {source="Reaxys"} is_a: CHEBI:142468 ! 1,2-dichloropropane relationship: is_enantiomer_of CHEBI:142471 ! (S)-1,2-dichloropropane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KNKRKFALVUDBJE-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.986" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](CCl)Cl" xsd:string [Term] id: CHEBI:142471 name: (S)-1,2-dichloropropane namespace: chebi_ontology def: "A 1,2-dichloropropane that has S configuration." [] subset: 3_STAR synonym: "(2S)-1,2-DCP" RELATED [ChEBI] synonym: "(2S)-1,2-dichloropropane" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-alpha,beta-dichloropropane" RELATED [ChEBI] synonym: "(2S)-alpha,beta-propylene dichloride" RELATED [ChEBI] synonym: "(2S)-propylene dichloride" RELATED [ChEBI] xref: PMID:28527381 {source="Europe PMC"} xref: Reaxys:1718881 {source="Reaxys"} is_a: CHEBI:142468 ! 1,2-dichloropropane relationship: is_enantiomer_of CHEBI:142469 ! (R)-1,2-dichloropropane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KNKRKFALVUDBJE-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.986" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](CCl)Cl" xsd:string [Term] id: CHEBI:142513 name: oxime anion namespace: chebi_ontology def: "A organic ion resulting from the deprotonation of the hydroxy group of any oxime." [] subset: 3_STAR synonym: "oximate" RELATED [ChEBI] synonym: "oximates" RELATED [ChEBI] synonym: "oxime anion" EXACT [ChEBI] synonym: "oxime anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:25750 ! oxime property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(*)(=N[O-])*" xsd:string [Term] id: CHEBI:142544 name: tamsulosin(1+) namespace: chebi_ontology def: "A secondary ammonium ion resulting from the protonation of the secondary amino group of tamsulosin. The major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:9398 ! tamsulosin relationship: is_enantiomer_of CHEBI:142549 ! ent-tamsulosin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H29N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRHKJLXJIQTDTD-OAHLLOKOSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "409.17917" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(OCC[NH2+][C@@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC" xsd:string [Term] id: CHEBI:142546 name: 5-(2-\{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide namespace: chebi_ontology def: "A secondary amino compound that is ammonia in which nitrogen is substituted by a 1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl group and a 2-(2-ethoxyphenoxy)ethyl group." [] subset: 3_STAR synonym: "5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "5-(2-{[2-(o-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide" RELATED [ChEBI] xref: PMID:2891044 {source="Europe PMC"} is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:50995 ! secondary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRHKJLXJIQTDTD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.17189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(OCCNC(CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC" xsd:string [Term] id: CHEBI:142548 name: ent-tamsulosin namespace: chebi_ontology def: "A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (S)-configuration. The enantiomer of tamsulosin." [] subset: 3_STAR synonym: "(+)-tamsulosin" RELATED [ChEBI] synonym: "(S)-(+)-tamsulosin" RELATED [ChEBI] synonym: "(S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide" RELATED [ChEBI] synonym: "(S)-tamsulosin" RELATED [ChemIDplus] xref: CAS:106138-88-9 {source="ChemIDplus"} xref: PMID:2891044 {source="Europe PMC"} xref: Reaxys:6896058 {source="Reaxys"} is_a: CHEBI:142546 ! 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide relationship: is_conjugate_base_of CHEBI:142549 ! ent-tamsulosin(1+) relationship: is_enantiomer_of CHEBI:9398 ! tamsulosin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRHKJLXJIQTDTD-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.17189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(OCCN[C@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC" xsd:string [Term] id: CHEBI:142549 name: ent-tamsulosin(1+) namespace: chebi_ontology def: "A secondary ammonium ion resulting from the secondary amino group of ent-tamsulosin. The major species at pH 7.3." [] subset: 3_STAR synonym: "(+)-tamsulosin(1+)" RELATED [ChEBI] synonym: "(2S)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-tamsulosin(1+)" RELATED [ChEBI] synonym: "(S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide(1+)" RELATED [ChEBI] synonym: "(S)-tamsulosin(1+)" RELATED [ChEBI] is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:142548 ! ent-tamsulosin relationship: is_enantiomer_of CHEBI:142544 ! tamsulosin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H29N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRHKJLXJIQTDTD-HNNXBMFYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "409.17917" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(OCC[NH2+][C@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC" xsd:string [Term] id: CHEBI:142622 name: primary fatty alcohol namespace: chebi_ontology def: "Any fatty alcohol in which the hydroxy group is attached to a methylene (CH2) group." [] subset: 3_STAR synonym: "a primary fatty alcohol" RELATED [UniProt] synonym: "primary fatty alcohol" EXACT [ChEBI] synonym: "primary fatty alcohols" RELATED [ChEBI] is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24026 ! fatty alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*CO" xsd:string [Term] id: CHEBI:142669 name: asulam(1-) namespace: chebi_ontology def: "An organic nitrogen anion resulting from the deprotonation of the N-acylsulfonamide moiety of asulam. The conjugate base of asulam." [] subset: 3_STAR synonym: "[(4-aminophenyl)sulfonyl](methoxycarbonyl)azanide" EXACT IUPAC_NAME [IUPAC] synonym: "asulam anion" RELATED [ChEBI] synonym: "methyl sulfanilylcarbamate(1-)" RELATED [ChEBI] synonym: "{[(4-aminophenyl)sulfonyl]imino}(methoxy)methanolate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50335 ! organic nitrogen anion relationship: is_conjugate_base_of CHEBI:81696 ! asulam property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H9N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VGPYEHKOIGNJKV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.02885" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=CC(=C1)S([N-]C(OC)=O)(=O)=O)N" xsd:string [Term] id: CHEBI:142782 name: TRPV channel modulator namespace: chebi_ontology def: "Any transient receptor potential (TRP) channel modulator that modulates the TRPV channels (V = vanilloid). There is strong evidence that action at one or more of this class of proteins is responsible for the insecticidal action of pymetrozine, pyrifluquinazon, and afidopyropen." [] subset: 3_STAR synonym: "transient receptor potential (vanilloid) channel modulator" RELATED [ChEBI] synonym: "transient receptor potential (vanilloid) channel modulators" RELATED [ChEBI] synonym: "TRPV channel modulators" RELATED [ChEBI] is_a: CHEBI:142783 ! TRP channel modulator [Term] id: CHEBI:142783 name: TRP channel modulator namespace: chebi_ontology def: "An agent that modulates the passage of cations through the transient receptor potential (TRP) channels." [] subset: 3_STAR synonym: "TRP channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:142839 name: enolate namespace: chebi_ontology def: "An organic anion arising from deprotonation of the hydroxy group of an enol." [] subset: 3_STAR synonym: "enolate anion" RELATED [ChEBI] synonym: "enolate anions" RELATED [ChEBI] synonym: "enolates" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:33823 ! enol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2OR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=C(*)*)*" xsd:string [Term] id: CHEBI:143081 name: D-homoserine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of D-homoserine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-azaniumyl-4-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-homoserine" RELATED [UniProt] xref: MetaCyc:CPD-12255 xref: PMID:24419381 {source="SUBMITTER"} is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:30654 ! D-homoserine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.119" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([C@H](C([O-])=O)[NH3+])CO" xsd:string [Term] id: CHEBI:143084 name: organometalloidal compound namespace: chebi_ontology def: "A compound having bonds between one or more metalloid atoms and one or more carbon atoms of an organyl group." [] subset: 3_STAR synonym: "organometalloidal" RELATED [ChEBI] synonym: "organometalloidal compounds" RELATED [ChEBI] synonym: "organometalloidals" RELATED [ChEBI] xref: PMID:15246002 {source="Europe PMC"} xref: PMID:17741021 {source="Europe PMC"} xref: PMID:8403081 {source="Europe PMC"} xref: PMID:908316 {source="Europe PMC"} is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:14321 name: glutamate(1-) namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "2-ammoniopentanedioate" RELATED [IUPAC] synonym: "glutamate" RELATED [UniProt] synonym: "glutamate(1-)" EXACT [JCBN] synonym: "glutamic acid monoanion" RELATED [JCBN] synonym: "hydrogen glutamate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:327908 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:18237 ! glutamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:143274 name: indole-3-butyrate namespace: chebi_ontology def: "An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(indol-3-yl)butanoate" RELATED [UniProt] synonym: "1H-indole-3-butanoate" RELATED [ChEBI] synonym: "1H-indole-3-butyrate" RELATED [ChEBI] synonym: "3-indolebutyrate" RELATED [ChEBI] synonym: "4-(1H-indol-3-yl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-(indol-3-yl)butanoate" RELATED [MetaCyc] synonym: "indole-3-butanoate" RELATED [MetaCyc] synonym: "indole-3-butyrate" EXACT [MetaCyc] synonym: "indole-3-butyric acid(1-)" RELATED [ChEBI] xref: Chemspider:2934315 {source="SUBMITTER"} xref: MetaCyc:CPD-10507 is_a: CHEBI:38468 ! indol-3-yl carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33070 ! indole-3-butyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JTEDVYBZBROSJT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "202.234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "202.08735" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=CC=C2NC=C(C12)CCCC([O-])=O" xsd:string [Term] id: CHEBI:143277 name: 4-(2,4-dichlorophenoxy)butanoate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the dprotonation of the carboxy group of 4-(2,4-dichlorophenoxy)butanoic acid (2,4-DB). The major species at pH 7.3." [] subset: 3_STAR synonym: "2,4-DB(1-)" RELATED [ChEBI] synonym: "4-(2,4-dichlorophenoxy)butanoate" EXACT [UniProt] synonym: "4-(2,4-dichlorophenoxy)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-(2,4-dichlorophenoxy)butyrate" RELATED [ChEBI] xref: PMID:12801099 {source="Europe PMC"} xref: PMID:19435093 {source="Europe PMC"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: is_conjugate_base_of CHEBI:73173 ! 2,4-DB property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YIVXMZJTEQBPQO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "248.080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.99342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(C=C(C1OCCCC([O-])=O)Cl)Cl" xsd:string [Term] id: CHEBI:143597 name: pentanol namespace: chebi_ontology def: "A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of five carbon atoms." [] subset: 3_STAR is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:50584 ! alkyl alcohol relationship: has_parent_hydride CHEBI:37830 ! pentane [Term] id: CHEBI:143898 name: (R,R)-chrysanthemol namespace: chebi_ontology def: "A chrysanthemol in which both chiral centres have R configuration." [] subset: 3_STAR synonym: "(R,R)-chrysanthemol" EXACT [UniProt] synonym: "[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol" EXACT IUPAC_NAME [IUPAC] xref: PMID:25378387 {source="SUBMITTER"} is_a: CHEBI:81217 ! chrysanthemol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3/t8-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HIPIENNKVJCMAP-RKDXNWHRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.253" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1([C@@H]([C@H]1C=C(C)C)CO)(C)C" xsd:string [Term] id: CHEBI:143899 name: (R,R)-chrysanthemal namespace: chebi_ontology def: "An aldehyde resulting from the formal oxidation of the hydroxy group of (R,R)-chrysanthemol." [] subset: 3_STAR synonym: "(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,3R)-chrysanthemal" RELATED [UniProt] synonym: "(1R,3R)-chrysanthemal" RELATED [ChEBI] xref: PMID:29122986 {source="SUBMITTER"} is_a: CHEBI:25409 ! monoterpenoid is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:59768 ! aliphatic aldehyde is_a: CHEBI:78840 ! olefinic compound relationship: has_functional_parent CHEBI:143898 ! (R,R)-chrysanthemol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O/c1-7(2)5-8-9(6-11)10(8,3)4/h5-6,8-9H,1-4H3/t8-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQLKPDBZZUIQGM-RKDXNWHRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.12012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1([C@@H]([C@H]1C=C(C)C)C=O)(C)C" xsd:string [Term] id: CHEBI:143900 name: (R,R)-chrysanthemate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (+)-trans-chrysanthemic acid. The major species at pH 7.3." [] subset: 3_STAR synonym: "(+)-trans-chrysanthemate" RELATED [ChEBI] synonym: "(1R)-trans-chrysanthemate" RELATED [MetaCyc] synonym: "(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,3R)-chrysanthemate" RELATED [UniProt] xref: MetaCyc:CPD-13662 xref: PMID:29122986 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:39100 ! (+)-trans-chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/p-1/t7-,8+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLOPRKKSAJMMEW-SFYZADRCSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.229" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.10775" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1([C@@H]([C@H]1C=C(C)C)C([O-])=O)(C)C" xsd:string [Term] id: CHEBI:144093 name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide namespace: chebi_ontology def: "A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group." [] subset: 3_STAR synonym: "N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:18379 ! nitrile is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35850 ! sulfone is_a: CHEBI:83565 ! (trifluoromethyl)benzenes is_a: CHEBI:83575 ! monofluorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H14F4N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKJPYSCBVHEWIU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.06104" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC=C(C1)NC(C(CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F" xsd:string [Term] id: CHEBI:144094 name: (S)-bicalutamide namespace: chebi_ontology def: "A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide." [] subset: 3_STAR synonym: "(+)-bicalutamide" RELATED [ChemIDplus] synonym: "(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-Casodex" RELATED [ChemIDplus] xref: CAS:113299-38-0 {source="ChemIDplus"} xref: PDBeChem:0U9 xref: PMID:15509184 {source="Europe PMC"} xref: PMID:23288837 {source="Europe PMC"} xref: PMID:23527766 {source="Europe PMC"} is_a: CHEBI:144093 ! N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide relationship: is_enantiomer_of CHEBI:39589 ! (R)-bicalutamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H14F4N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKJPYSCBVHEWIU-QGZVFWFLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.06104" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC=C(C1)NC([C@@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F" xsd:string [Term] id: CHEBI:144644 name: a tetracycline zwitterion namespace: chebi_ontology subset: 2_STAR synonym: "a tetracycline" RELATED [UniProt] is_a: CHEBI:26895 ! tetracyclines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H17N2O7R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "409.10358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(C=C(C(=C1C(C=3[C@]([C@@H]([C@]4([C@@H](C([O-])=C(C([C@@]4(O)C3O)=O)C(N)=O)[NH+](C)C)[H])*)(C2(*)*)[H])=O)O)*)*" xsd:string [Term] id: CHEBI:145047 name: antispermatogenic agent namespace: chebi_ontology def: "An agent that destroy spermatozoa in the male genitalia and block spermatogenesis." [] subset: 3_STAR synonym: "antispermatogenic" RELATED [ChEBI] synonym: "antispermatogenic agents" RELATED [ChEBI] synonym: "antispermatogenics" RELATED [ChEBI] xref: PMID:16371305 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] id: CHEBI:145403 name: (R)-diclofop namespace: chebi_ontology alt_id: CHEBI:47365 def: "A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (R)-enantiomer of diclofop." [] subset: 3_STAR synonym: "(+)-diclofop" RELATED [ChEBI] synonym: "(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[R,(+)]-2-[4-(2,4-dichlorophenoxy)phenoxy]propionic acid" RELATED [ChEBI] xref: CAS:71283-28-8 {source="ChEBI"} xref: DrugBank:DB03781 xref: PDBeChem:D1L xref: PMID:23857454 {source="Europe PMC"} xref: PMID:24240105 {source="Europe PMC"} xref: PMID:28884187 {source="Europe PMC"} is_a: CHEBI:145406 ! 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: is_enantiomer_of CHEBI:145404 ! (S)-diclofop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OOLBCHYXZDXLDS-SECBINFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.01126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(O)=O)C" xsd:string [Term] id: CHEBI:145404 name: (S)-diclofop namespace: chebi_ontology def: "A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (S)-enantiomer of diclofop." [] subset: 3_STAR synonym: "(-)-diclofop" RELATED [ChEBI] synonym: "(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" RELATED [ChEBI] xref: CAS:75021-71-5 {source="ChEBI"} xref: PMID:23857454 {source="Europe PMC"} xref: PMID:26501920 {source="Europe PMC"} is_a: CHEBI:145406 ! 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid relationship: is_enantiomer_of CHEBI:145403 ! (R)-diclofop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OOLBCHYXZDXLDS-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.01126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(O)=O)C" xsd:string [Term] id: CHEBI:145406 name: 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid namespace: chebi_ontology def: "An aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group." [] subset: 3_STAR synonym: "2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:46786 ! diether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OOLBCHYXZDXLDS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.01126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(O)=O)C" xsd:string [Term] id: CHEBI:145412 name: methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate namespace: chebi_ontology def: "A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol." [] subset: 3_STAR synonym: "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:46786 ! diether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BACHBFVBHLGWSL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "341.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.02691" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)OC(C(OC)=O)C" xsd:string [Term] id: CHEBI:145413 name: (R)-diclofop-methyl namespace: chebi_ontology def: "A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (R)-enantiomer of diclofop-methyl." [] subset: 3_STAR synonym: "methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND44326446 {source="Europe PMC"} xref: CAS:71283-65-3 {source="ChemIDplus"} xref: PMID:26501920 {source="Europe PMC"} is_a: CHEBI:145412 ! methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate relationship: is_enantiomer_of CHEBI:145414 ! (S)-diclofop-methyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BACHBFVBHLGWSL-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "341.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.02691" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@@H](C(OC)=O)C" xsd:string [Term] id: CHEBI:145414 name: (S)-diclofop-methyl namespace: chebi_ontology def: "A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl." [] subset: 3_STAR synonym: "methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND44326446 {source="Europe PMC"} xref: CAS:75021-72-6 {source="ChemIDplus"} xref: PMID:26501920 {source="Europe PMC"} is_a: CHEBI:145412 ! methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate relationship: is_enantiomer_of CHEBI:145413 ! (R)-diclofop-methyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BACHBFVBHLGWSL-JTQLQIEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "341.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.02691" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(OC)=O)C" xsd:string [Term] id: CHEBI:145555 name: macropolylide namespace: chebi_ontology def: "Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature." [] subset: 3_STAR synonym: "macropolylides" RELATED [ChEBI] is_a: CHEBI:25106 ! macrolide [Term] id: CHEBI:145556 name: macrodiolide namespace: chebi_ontology def: "A macropolylide which contains two ester linkages in one macrocyclic ring." [] subset: 3_STAR synonym: "macrodiolides" RELATED [ChEBI] xref: PMID:17446696 {source="Europe PMC"} xref: PMID:29624065 {source="Europe PMC"} xref: PMID:29671776 {source="Europe PMC"} xref: PMID:31247219 {source="Europe PMC"} is_a: CHEBI:145555 ! macropolylide [Term] id: CHEBI:145565 name: macrolide lactam namespace: chebi_ontology def: "A macrolide in which the macrocyclic lactone ring includes an amide group." [] subset: 3_STAR synonym: "macrolide lactams" RELATED [ChEBI] xref: PMID:11678663 {source="Europe PMC"} xref: PMID:12227772 {source="Europe PMC"} xref: PMID:15248618 {source="Europe PMC"} xref: PMID:17378533 {source="Europe PMC"} xref: PMID:31226284 {source="Europe PMC"} is_a: CHEBI:24995 ! lactam is_a: CHEBI:25106 ! macrolide [Term] id: CHEBI:145932 name: (S)-2-methylbutanoate namespace: chebi_ontology def: "A branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-methylbutyrate" RELATED [ChEBI] synonym: "(2S)-2-methylbutyric acid anion" RELATED [ChEBI] synonym: "(S)-2-methylbutanoate" EXACT [UniProt] synonym: "(S)-2-methylbutyrate" RELATED [ChEBI] synonym: "(S)-alpha-methylbutyrate" RELATED [ChEBI] xref: PMID:16819884 {source="Europe PMC"} is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion is_a: CHEBI:83976 ! 2-methyl fatty acid anion relationship: is_conjugate_base_of CHEBI:38655 ! (S)-2-methylbutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLAMNBDJUVNPJU-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([C@H](CC)C)=O" xsd:string [Term] id: CHEBI:146176 name: levomethorphan namespace: chebi_ontology def: "A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the stereocenters at positions 4a, 10 and 10a have R-configuration. It is a prodrug of levorphanol and a strong narcotic analgesic, and listed as a schedule II controlled substance." [] subset: 3_STAR synonym: "(-)-3-methoxy-17-methylmorphinan" RELATED [ChEBI] synonym: "(-)-3-methoxy-N-methylmorphinan" RELATED [ChemIDplus] synonym: "(4aR,10R,10aR)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene" EXACT IUPAC_NAME [IUPAC] synonym: "3-methoxy-17-methylmorphinan" EXACT IUPAC_NAME [IUPAC] synonym: "L-3-methoxy-17-methylmorphinan" RELATED [ChEBI] synonym: "L-methorphan" RELATED [ChemIDplus] synonym: "levomethorphan" RELATED INN [WHO_MedNet] synonym: "levomethorphane" RELATED INN [WHO_MedNet] synonym: "levomethorphanum" RELATED INN [WHO_MedNet] synonym: "levometorfano" RELATED INN [WHO_MedNet] xref: CAS:125-70-2 {source="ChemIDplus"} xref: CAS:125-70-2 {source="NIST Chemistry WebBook"} xref: PMID:16870378 {source="Europe PMC"} xref: PMID:26226106 {source="Europe PMC"} xref: PMID:28867701 {source="Europe PMC"} xref: PMID:29131506 {source="Europe PMC"} xref: Wikipedia:Levomethorphan is_a: CHEBI:146178 ! 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene relationship: has_functional_parent CHEBI:6444 ! Levorphanol relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:50266 ! prodrug relationship: is_enantiomer_of CHEBI:4470 ! dextromethorphan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H25NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MKXZASYAUGDDCJ-CGTJXYLNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.19361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=2C[C@@H]3[C@]4([C@@](C2C=C(C1)OC)(CCCC4)CCN3C)[H]" xsd:string [Term] id: CHEBI:146178 name: 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene namespace: chebi_ontology def: "An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11." [] subset: 3_STAR synonym: "4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0(1,10).0(2,7)]heptadeca-2(7),3,5-triene" EXACT IUPAC_NAME [IUPAC] synonym: "6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25418 ! morphinane alkaloid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38163 ! organic heterotetracyclic compound is_a: CHEBI:83818 ! morphinane-like compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H25NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MKXZASYAUGDDCJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.19361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCC2(C13C4=C(CC2N(CC3)C)C=CC(=C4)OC)[H]" xsd:string [Term] id: CHEBI:146270 name: oneirogen namespace: chebi_ontology def: "Any substance that produces or enhances dream-like states of consciousness." [] subset: 3_STAR synonym: "oneirogens" RELATED [ChEBI] xref: Wikipedia:Oneirogen is_a: CHEBI:35471 ! psychotropic drug [Term] id: CHEBI:146291 name: 11-HPETE(1-) namespace: chebi_ontology subset: 2_STAR synonym: "11-hydroperoxy-(5Z,8Z,12E,14Z)-eicosatetraenoate" RELATED [UniProt] synonym: "11-hydroperoxy-(5Z,8Z,12E,14Z)-icosatetraenoate(1-)" RELATED [SUBMITTER] xref: PMID:27435673 {source="SUBMITTER"} is_a: CHEBI:59720 ! HPETE anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H31O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b9-6-,10-7-,14-11-,16-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PCGWZQXAGFGRTQ-RLZWZWKOSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "335.465" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "335.22278" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCC/C=C\\C/C=C\\CC(/C=C/C=C\\CCCCC)OO)(=O)[O-]" xsd:string [Term] id: CHEBI:146293 name: 9-HPODE(1-) namespace: chebi_ontology subset: 2_STAR synonym: "9-hydroperoxy-(10E,12Z)-octadecadienoate" RELATED [UniProt] synonym: "9-hydroperoxy-(10E,12Z)-octadecadienoate(1-)" RELATED [SUBMITTER] xref: PMID:27435673 {source="SUBMITTER"} is_a: CHEBI:131862 ! HPODE(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H31O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JGUNZIWGNMQSBM-ZJHFMPGASA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "311.443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.22278" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCCC(/C=C/C=C\\CCCCC)OO)([O-])=O" xsd:string [Term] id: CHEBI:147285 name: EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor namespace: chebi_ontology def: "An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69)." [] subset: 3_STAR synonym: "3C-like protease inhibitor" RELATED [ChEBI] synonym: "3C-like protease inhibitors" RELATED [ChEBI] synonym: "3cLpro inhibitor" RELATED [ChEBI] synonym: "3cLpro inhibitors" RELATED [ChEBI] synonym: "coronavirus 3C-like protease inhibitor" RELATED [ChEBI] synonym: "coronavirus 3C-like protease inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.69 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.22.69 inhibitors" RELATED [ChEBI] synonym: "Mpro inhibitor" RELATED [ChEBI] synonym: "Mpro inhibitors" RELATED [ChEBI] synonym: "SARS 3C-like protease inhibitor" RELATED [ChEBI] synonym: "SARS 3C-like protease inhibitors" RELATED [ChEBI] synonym: "SARS coronavirus 3CL protease inhibitor" RELATED [ChEBI] synonym: "SARS coronavirus 3CL protease inhibitors" RELATED [ChEBI] synonym: "SARS coronavirus main peptidase inhibitor" RELATED [ChEBI] synonym: "SARS coronavirus main peptidase inhibitors" RELATED [ChEBI] synonym: "SARS coronavirus main protease inhibitor" RELATED [ChEBI] synonym: "SARS coronavirus main protease inhibitors" RELATED [ChEBI] synonym: "SARS coronavirus main proteinase inhibitor" RELATED [ChEBI] synonym: "SARS coronavirus main proteinase inhibitors" RELATED [ChEBI] synonym: "SARS-CoV 3CLpro enzyme inhibitor" RELATED [ChEBI] synonym: "SARS-CoV 3CLpro enzyme inhibitors" RELATED [ChEBI] synonym: "SARS-CoV main protease inhibitor" RELATED [ChEBI] synonym: "SARS-CoV main protease inhibitors" RELATED [ChEBI] synonym: "SARS-CoV Mpro inhibitor" RELATED [ChEBI] synonym: "SARS-CoV Mpro inhibitors" RELATED [ChEBI] synonym: "severe acute respiratory syndrome coronavirus main protease inhibitor" RELATED [ChEBI] synonym: "severe acute respiratory syndrome coronavirus main protease inhibitors" RELATED [ChEBI] xref: Wikipedia:C30_Endopeptidase is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor [Term] id: CHEBI:148436 name: nitrification inhibitor namespace: chebi_ontology def: "Any inhibitor added to nitrogen fertilizers which can reduce the rate at which ammonium is converted to nitrate. Under appropriate conditions, this can help reduce nitrogen losses through denitrification and leaching." [] subset: 3_STAR synonym: "nitrification inhibitors" RELATED [ChEBI] xref: Wikipedia:Nitrification is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:149484 name: chloroquine(2+) namespace: chebi_ontology def: "A quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium" EXACT IUPAC_NAME [IUPAC] synonym: "chloroquine dication" RELATED [ChEBI] synonym: "di-protonated chloroquine" RELATED [ChEBI] xref: PMID:25693996 {source="Europe PMC"} is_a: CHEBI:137982 ! tertiary ammonium ion is_a: CHEBI:52837 ! quinolinium ion relationship: is_conjugate_acid_of CHEBI:3638 ! chloroquine property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28ClN3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHTVZRBIWZFKQO-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "321.890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "321.19608" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH+]1=CC=C(C=2C1=CC(Cl)=CC2)NC(CCC[NH+](CC)CC)C" xsd:string [Term] id: CHEBI:149504 name: losartan(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of losartan, obtained from the deprotonation of the tetrazole NH group. Major species at pH 7.3." [] subset: 3_STAR synonym: "5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[biphenyl]-2-yl)tetrazol-1-ide" EXACT IUPAC_NAME [IUPAC] synonym: "losartan" RELATED [UniProt] xref: PMID:18674515 {source="SUBMITTER"} is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:6541 ! losartan property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H22ClN6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MDMTUGIZSFHDIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "421.910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "421.15491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC(CN2C(=NC(=C2CO)Cl)CCCC)=CC=C1C3=CC=CC=C3C=4[N-]N=NN4" xsd:string [Term] id: CHEBI:149509 name: candesartan(2-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "2-ethoxy-1-{[2'-(tetrazol-1-id-5-yl)[biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "candesartan" RELATED [UniProt] xref: PMID:18674515 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:3347 ! candesartan property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H18N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H2,26,27,28,29,31,32)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSLSLQSFLOCXQQ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "438.448" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "438.14514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(C=C1)CN2C3=C(C(=O)[O-])C=CC=C3N=C2OCC)C=4C=CC=CC4C5=NN=N[N-]5" xsd:string [Term] id: CHEBI:149552 name: emetic namespace: chebi_ontology def: "Any agent that induces nausea and vomiting." [] subset: 3_STAR synonym: "emetics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:149553 name: anticoronaviral agent namespace: chebi_ontology def: "Any antiviral agent which inhibits the activity of coronaviruses." [] subset: 3_STAR synonym: "anti-coronaviral agent" RELATED [ChEBI] synonym: "anti-coronaviral agents" RELATED [ChEBI] synonym: "anti-coronavirus agent" RELATED [ChEBI] synonym: "anti-coronavirus agents" RELATED [ChEBI] synonym: "anticoronaviral agent" EXACT [ChEBI] synonym: "anticoronaviral agents" RELATED [ChEBI] synonym: "anticoronaviral drug" RELATED [ChEBI] synonym: "anticoronaviral drugs" RELATED [ChEBI] synonym: "anticoronavirus agent" RELATED [ChEBI] synonym: "anticoronavirus agents" RELATED [ChEBI] synonym: "anticoronviral agent" RELATED [ChEBI] synonym: "anticoronviral agents" RELATED [ChEBI] xref: Wikipedia:Coronavirus is_a: CHEBI:22587 ! antiviral agent [Term] id: CHEBI:149673 name: (1S,2R)-ephedrine(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the secondary amino function of (1S,2R)-ephedrine; major species at pH 7.3." [] subset: 2_STAR synonym: "(+)-ephedrinium" RELATED [SUBMITTER] synonym: "(1S,2R)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium" EXACT IUPAC_NAME [SUBMITTER] synonym: "(1S,2R)-ephedrine" RELATED [UniProt] synonym: "(1S,2R)-ephedrinium" RELATED [SUBMITTER] xref: MetaCyc:CPD-22730 {source="SUBMITTER"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_enantiomer_of CHEBI:57295 ! (-)-ephedrinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGRBVOPPLSCSI-PSASIEDQSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.12264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]([C@@H](C)[NH2+]C)(O)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:149689 name: D-dopa zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of D-dopa. Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate" RELATED [SUBMITTER] synonym: "(2R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-dopa" RELATED [UniProt] xref: PMID:17303072 {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_enantiomer_of CHEBI:57504 ! L-dopa zwitterion relationship: is_tautomer_of CHEBI:49169 ! D-dopa property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-ZCFIWIBFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.06881" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(O)C(=CC(C[C@H](C(=O)[O-])[NH3+])=C1)O" xsd:string [Term] id: CHEBI:14973 name: pyrazole namespace: chebi_ontology def: "A monocyclic heteroarene that is a five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 2." [] subset: 3_STAR synonym: "Pyrazol" RELATED [ChEBI] synonym: "pyrazole" EXACT IUPAC_NAME [IUPAC] xref: PMID:24816008 {source="Europe PMC"} xref: Wikipedia:Pyrazole is_a: CHEBI:26410 ! pyrazoles is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent relationship: is_conjugate_acid_of CHEBI:38596 ! pyrazolide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.077" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.03745" xsd:string [Term] id: CHEBI:15022 name: electron donor namespace: chebi_ontology def: "A molecular entity that can transfer an electron to another molecular entity." [] subset: 3_STAR synonym: "donneur d'electron" RELATED [IUPAC] synonym: "electron donor" EXACT IUPAC_NAME [IUPAC] synonym: "Elektronendonator" RELATED [ChEBI] is_a: CHEBI:17891 ! donor [Term] id: CHEBI:15035 name: retinal namespace: chebi_ontology def: "An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position." [] subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal" EXACT IUPAC_NAME [IUPAC] synonym: "retinal" EXACT [UniProt] xref: MetaCyc:Retinals xref: Reaxys:2055098 {source="Reaxys"} is_a: CHEBI:26534 ! retinals is_a: CHEBI:51688 ! enal relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCYCYZXNIZJOKI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.43572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.21402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:15036 name: retinoate namespace: chebi_ontology subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate" EXACT IUPAC_NAME [IUPAC] synonym: "retinoate" EXACT [UniProt] is_a: CHEBI:139589 ! retinoid anion is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26536 ! retinoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.42718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.20165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O" xsd:string [Term] id: CHEBI:15040 name: retinyl palmitate def: "A palmitate ester of retinol with undefined geometry about the C=C bonds." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3767 is_a: CHEBI:12777 ! vitamin A is_a: CHEBI:25835 ! hexadecanoate ester property_value: IAO:0000118 "retinyl palmitate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15138 name: sulfide(2-) namespace: chebi_ontology def: "A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide." [] subset: 3_STAR synonym: "S(2-)" RELATED [IUPAC] synonym: "sulfanediide" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfide" RELATED [ChemIDplus] synonym: "sulfide(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "sulphide" RELATED [ChEBI] xref: CAS:18496-25-8 {source="ChemIDplus"} xref: UM-BBD_compID:c0569 {source="UM-BBD"} is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29919 ! hydrosulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCKMPCXJQFINFW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97317" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S--]" xsd:string [Term] id: CHEBI:15258 name: trichlorophenols namespace: chebi_ontology def: "Any chlorophenol derivative that contains three covalently bonded chlorine atoms." [] subset: 3_STAR is_a: CHEBI:23150 ! chlorophenol is_a: CHEBI:27096 ! trichlorobenzene [Term] id: CHEBI:15318 name: xanthine namespace: chebi_ontology def: "A purine nucleobase found in humans and other organisms." [] subset: 3_STAR synonym: "2,6-dioxopurine" RELATED [ChEBI] synonym: "2,6-dioxopurines" RELATED [ChEBI] synonym: "xanthine" EXACT [ChEBI] synonym: "xanthines" RELATED [ChEBI] xref: ECMDB:ECMDB00292 xref: KNApSAcK:C00019660 xref: PMID:1557408 {source="Europe PMC"} xref: PMID:24629268 {source="Europe PMC"} xref: PMID:9007687 {source="Europe PMC"} xref: YMDB:YMDB00263 is_a: CHEBI:25810 ! oxopurine is_a: CHEBI:26386 ! purine nucleobase relationship: has_functional_parent CHEBI:16235 ! guanine relationship: has_role CHEBI:78675 ! fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.111" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.03343" xsd:string [Term] id: CHEBI:15339 name: acceptor namespace: chebi_ontology alt_id: CHEBI:13699 alt_id: CHEBI:2377 def: "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity." [] subset: 3_STAR synonym: "A" RELATED [KEGG_COMPOUND] synonym: "accepteur" RELATED [ChEBI] synonym: "Acceptor" EXACT [KEGG_COMPOUND] synonym: "Akzeptor" RELATED [ChEBI] synonym: "Hydrogen-acceptor" RELATED [KEGG_COMPOUND] synonym: "Oxidized donor" RELATED [KEGG_COMPOUND] xref: KEGG:C00028 xref: KEGG:C16722 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:15343 name: acetaldehyde namespace: chebi_ontology alt_id: CHEBI:13703 alt_id: CHEBI:22158 alt_id: CHEBI:2383 alt_id: CHEBI:40533 def: "The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke." [] subset: 3_STAR synonym: "Acetaldehyd" RELATED [NIST_Chemistry_WebBook] synonym: "ACETALDEHYDE" EXACT [PDBeChem] synonym: "Acetaldehyde" EXACT [KEGG_COMPOUND] synonym: "acetaldehyde" EXACT [UniProt] synonym: "acetaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "acetaldehydes" RELATED [ChEBI] synonym: "acetic aldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Azetaldehyd" RELATED [ChEBI] synonym: "Ethanal" RELATED [KEGG_COMPOUND] synonym: "ethyl aldehyde" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:505984 {source="Beilstein"} xref: CAS:75-07-0 {source="NIST Chemistry WebBook"} xref: CAS:75-07-0 {source="ChemIDplus"} xref: CAS:75-07-0 {source="KEGG COMPOUND"} xref: Gmelin:779 {source="Gmelin"} xref: HMDB:HMDB0000990 xref: KEGG:C00084 xref: KNApSAcK:C00007392 xref: LINCS:LSM-37193 xref: PDBeChem:ACE xref: PMID:11058591 {source="Europe PMC"} xref: PMID:110589 {source="Europe PMC"} xref: PMID:11087437 {source="Europe PMC"} xref: PMID:11290854 {source="Europe PMC"} xref: PMID:15239123 {source="Europe PMC"} xref: PMID:15833031 {source="Europe PMC"} xref: PMID:16404561 {source="Europe PMC"} xref: PMID:16485909 {source="Europe PMC"} xref: PMID:18001279 {source="Europe PMC"} xref: PMID:19396661 {source="Europe PMC"} xref: PMID:2233695 {source="Europe PMC"} xref: PMID:24282063 {source="Europe PMC"} xref: PMID:24326678 {source="Europe PMC"} xref: PMID:24503565 {source="Europe PMC"} xref: PMID:4239189 {source="Europe PMC"} xref: PMID:5526694 {source="Europe PMC"} xref: PMID:6036728 {source="Europe PMC"} xref: PMID:7163973 {source="Europe PMC"} xref: PMID:9171333 {source="Europe PMC"} xref: Reaxys:505984 {source="Reaxys"} xref: UM-BBD_compID:c0160 {source="UM-BBD"} xref: Wikipedia:Acetaldehyde is_a: CHEBI:17478 ! aldehyde relationship: has_role CHEBI:17654 ! electron acceptor relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O/c1-2-3/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IKHGUXGNUITLKF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.05256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C)=O" xsd:string [Term] id: CHEBI:15347 name: acetone namespace: chebi_ontology alt_id: CHEBI:13708 alt_id: CHEBI:22182 alt_id: CHEBI:2398 alt_id: CHEBI:40571 def: "A methyl ketone that consists of propane bearing an oxo group at C2." [] subset: 3_STAR synonym: "2-Propanone" RELATED [KEGG_COMPOUND] synonym: "Aceton" RELATED [ChemIDplus] synonym: "ACETONE" EXACT [PDBeChem] synonym: "Acetone" EXACT [KEGG_COMPOUND] synonym: "acetone" EXACT [ChEBI] synonym: "acetone" EXACT [UniProt] synonym: "Azeton" RELATED [ChEBI] synonym: "beta-Ketopropane" RELATED [HMDB] synonym: "Dimethyl ketone" RELATED [KEGG_COMPOUND] synonym: "dimethylcetone" RELATED [ChEBI] synonym: "Dimethylketon" RELATED [ChEBI] synonym: "dimethylketone" RELATED [MetaCyc] synonym: "methyl ketone" RELATED [ChemIDplus] synonym: "propan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Propanon" RELATED [ChEBI] synonym: "propanone" RELATED [ChemIDplus] synonym: "Pyroacetic ether" RELATED [HMDB] xref: Beilstein:635680 {source="Beilstein"} xref: CAS:67-64-1 {source="NIST Chemistry WebBook"} xref: CAS:67-64-1 {source="ChemIDplus"} xref: CAS:67-64-1 {source="KEGG COMPOUND"} xref: Gmelin:1466 {source="Gmelin"} xref: HMDB:HMDB0001659 xref: KEGG:C00207 xref: KEGG:D02311 xref: LIPID_MAPS_instance:LMFA12000057 {source="LIPID MAPS"} xref: MetaCyc:ACETONE xref: PDBeChem:ACN xref: PMID:17190852 {source="Europe PMC"} xref: PMID:17347819 {source="Europe PMC"} xref: Reaxys:635680 {source="Reaxys"} xref: UM-BBD_compID:c0556 {source="UM-BBD"} xref: Wikipedia:Acetone is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:26292 ! propanones is_a: CHEBI:51867 ! methyl ketone is_a: CHEBI:73693 ! ketone body relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSCPPACGZOOCGX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.07914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=O" xsd:string [Term] id: CHEBI:15348 name: 2-hydroxy-2-methylpropanenitrile namespace: chebi_ontology alt_id: CHEBI:11581 alt_id: CHEBI:11597 alt_id: CHEBI:13709 alt_id: CHEBI:22184 alt_id: CHEBI:2399 alt_id: CHEBI:41622 subset: 3_STAR synonym: "2-Hydroxy-2-methylpropanenitrile" EXACT [KEGG_COMPOUND] synonym: "2-hydroxy-2-methylpropanenitrile" EXACT [UniProt] synonym: "2-hydroxy-2-methylpropanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxyisobutyronitrile" RELATED [KEGG_COMPOUND] synonym: "2-Methyllactonitrile" RELATED [KEGG_COMPOUND] synonym: "Acetone cyanhydrin" RELATED [KEGG_COMPOUND] synonym: "Acetone cyanohydrin" RELATED [KEGG_COMPOUND] synonym: "acetone-cyanohydrin" RELATED [ChEBI] synonym: "alpha-Hydroxyisobutyronitrile" RELATED [KEGG_COMPOUND] xref: CAS:75-86-5 {source="KEGG COMPOUND"} xref: DrugBank:DB02203 xref: KEGG:C02659 is_a: CHEBI:23437 ! cyanohydrin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWFMGBPGAXYFAR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.10452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.05276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(O)C#N" xsd:string [Term] id: CHEBI:15354 name: choline namespace: chebi_ontology alt_id: CHEBI:13985 alt_id: CHEBI:23212 alt_id: CHEBI:3665 alt_id: CHEBI:41524 def: "A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function." [] subset: 3_STAR synonym: "2-hydroxy-N,N,N-trimethylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "Bilineurine" RELATED [KEGG_COMPOUND] synonym: "Choline" EXACT [KEGG_COMPOUND] synonym: "choline" EXACT [UniProt] synonym: "CHOLINE ION" RELATED [PDBeChem] synonym: "N,N,N-trimethylethanol-ammonium" RELATED [ChEBI] synonym: "N-trimethylethanolamine" RELATED [ChEBI] synonym: "trimethylethanolamine" RELATED [ChEBI] xref: Beilstein:1736748 {source="Beilstein"} xref: CAS:62-49-7 {source="ChemIDplus"} xref: CAS:62-49-7 {source="KEGG COMPOUND"} xref: Drug_Central:3097 {source="DrugCentral"} xref: DrugBank:DB00122 xref: ECMDB:ECMDB00097 xref: Gmelin:324597 {source="Gmelin"} xref: HMDB:HMDB0000097 xref: KEGG:C00114 xref: KEGG:D07690 xref: KNApSAcK:C00007298 xref: MetaCyc:CHOLINE xref: PDBeChem:CHT xref: PMID:10930630 {source="Europe PMC"} xref: PMID:12826235 {source="Europe PMC"} xref: PMID:12946691 {source="Europe PMC"} xref: PMID:14972364 {source="Europe PMC"} xref: PMID:16210714 {source="Europe PMC"} xref: PMID:17087106 {source="Europe PMC"} xref: PMID:17283071 {source="Europe PMC"} xref: PMID:17344490 {source="Europe PMC"} xref: PMID:18204095 {source="Europe PMC"} xref: PMID:18230680 {source="Europe PMC"} xref: PMID:18786517 {source="Europe PMC"} xref: PMID:18786520 {source="Europe PMC"} xref: PMID:19246089 {source="Europe PMC"} xref: PMID:20038853 {source="Europe PMC"} xref: PMID:20446114 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22961562 {source="Europe PMC"} xref: PMID:23095202 {source="Europe PMC"} xref: PMID:23616508 {source="Europe PMC"} xref: PMID:23637565 {source="Europe PMC"} xref: PMID:23733158 {source="Europe PMC"} xref: PMID:6420466 {source="Europe PMC"} xref: PMID:7590654 {source="Europe PMC"} xref: PMID:9517478 {source="Europe PMC"} xref: Reaxys:1736748 {source="Reaxys"} xref: Wikipedia:Choline xref: YMDB:YMDB00227 is_a: CHEBI:23217 ! cholines relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:33284 ! nutrient relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H14NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEYIOHPDSNJKLS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.17080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.10699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCO" xsd:string [Term] id: CHEBI:15355 name: acetylcholine namespace: chebi_ontology alt_id: CHEBI:12686 alt_id: CHEBI:13715 alt_id: CHEBI:22197 alt_id: CHEBI:2416 alt_id: CHEBI:40559 def: "Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter." [] subset: 3_STAR synonym: "2-acetyloxy-N,N,N-trimethylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "ACETYLCHOLINE" EXACT [PDBeChem] synonym: "Acetylcholine" EXACT [KEGG_COMPOUND] synonym: "acetylcholine" EXACT [UniProt] synonym: "ACh" RELATED [ChemIDplus] synonym: "Azetylcholin" RELATED [ChEBI] synonym: "choline acetate" RELATED [ChemIDplus] synonym: "O-Acetylcholine" RELATED [KEGG_COMPOUND] xref: Beilstein:1764436 {source="ChemIDplus"} xref: CAS:51-84-3 {source="KEGG COMPOUND"} xref: CAS:51-84-3 {source="ChemIDplus"} xref: Drug_Central:65 {source="DrugCentral"} xref: DrugBank:DB03128 xref: Gmelin:326108 {source="Gmelin"} xref: KEGG:C01996 xref: LINCS:LSM-5888 xref: PDBeChem:ACH xref: PMID:14764638 {source="Europe PMC"} xref: PMID:15014918 {source="Europe PMC"} xref: PMID:15231705 {source="Europe PMC"} xref: PMID:15361288 {source="Europe PMC"} xref: PMID:18050502 {source="Europe PMC"} xref: PMID:18407448 {source="Europe PMC"} xref: PMID:19255787 {source="Europe PMC"} xref: PMID:20963497 {source="Europe PMC"} xref: PMID:21130809 {source="Europe PMC"} xref: PMID:21246223 {source="Europe PMC"} xref: PMID:21545631 {source="Europe PMC"} xref: PMID:21601579 {source="Europe PMC"} xref: Wikipedia:Acetylcholine is_a: CHEBI:35287 ! acylcholine is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:24621 ! hormone relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38325 ! muscarinic agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H16NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIPILFWXSMYKGL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.20748" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.11756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)OCC[N+](C)(C)C" xsd:string [Term] id: CHEBI:15356 name: cysteine namespace: chebi_ontology alt_id: CHEBI:14061 alt_id: CHEBI:23508 alt_id: CHEBI:4050 def: "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." [] subset: 3_STAR synonym: "2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "cisteina" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "Cystein" RELATED [ChEBI] synonym: "Cysteine" EXACT [KEGG_COMPOUND] synonym: "cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine" EXACT [ChEBI] synonym: "Hcys" RELATED [IUPAC] synonym: "Zystein" RELATED [ChEBI] xref: Beilstein:1721406 {source="Beilstein"} xref: CAS:3374-22-9 {source="ChemIDplus"} xref: CAS:3374-22-9 {source="NIST Chemistry WebBook"} xref: CAS:3374-22-9 {source="KEGG COMPOUND"} xref: Gmelin:2933 {source="Gmelin"} xref: KEGG:C00736 xref: KNApSAcK:C00001351 xref: KNApSAcK:C00007323 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:25181601 {source="Europe PMC"} xref: Reaxys:1721406 {source="Reaxys"} xref: Wikipedia:Cysteine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50326 ! sulfanylmethyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:35237 ! cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15365 name: acetylsalicylic acid namespace: chebi_ontology alt_id: CHEBI:22188 alt_id: CHEBI:22203 alt_id: CHEBI:2890 alt_id: CHEBI:40705 alt_id: CHEBI:71414 def: "A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity." [] subset: 3_STAR synonym: "2-(ACETYLOXY)BENZOIC ACID" RELATED [PDBeChem] synonym: "2-(acetyloxy)benzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Acetoxybenzenecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "2-acetoxybenzoic acid" RELATED [ChemIDplus] synonym: "Acetylsalicylate" RELATED [KEGG_COMPOUND] synonym: "Acetylsalicylic acid" EXACT [KEGG_COMPOUND] synonym: "Acetylsalicylsaeure" RELATED [ChemIDplus] synonym: "acide 2-(acetyloxy)benzoique" RELATED [IUPAC] synonym: "acide acetylsalicylique" RELATED INN [ChemIDplus] synonym: "acido acetilsalicilico" RELATED INN [NIST_Chemistry_WebBook] synonym: "acidum acetylsalicylicum" RELATED INN [NIST_Chemistry_WebBook] synonym: "ASA" RELATED [ChemIDplus] synonym: "Aspirin" RELATED [KEGG_COMPOUND] synonym: "Azetylsalizylsaeure" RELATED [ChEBI] synonym: "Easprin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "o-acetoxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "O-acetylsalicylic acid" RELATED [ChemIDplus] synonym: "o-carboxyphenyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "salicylic acid acetate" RELATED [ChemIDplus] xref: Beilstein:779271 {source="Beilstein"} xref: CAS:50-78-2 {source="ChemIDplus"} xref: CAS:50-78-2 {source="NIST Chemistry WebBook"} xref: CAS:50-78-2 {source="KEGG COMPOUND"} xref: Drug_Central:74 {source="DrugCentral"} xref: DrugBank:DB00945 xref: Gmelin:218864 {source="Gmelin"} xref: HMDB:HMDB0001879 xref: KEGG:C01405 xref: KEGG:D00109 xref: LINCS:LSM-5288 xref: MetaCyc:CPD-524 xref: PDBeChem:AIN xref: PMID:11203441 {source="Europe PMC"} xref: PMID:11402787 {source="Europe PMC"} xref: PMID:11597554 {source="Europe PMC"} xref: PMID:11733186 {source="Europe PMC"} xref: PMID:12852484 {source="Europe PMC"} xref: PMID:14753751 {source="Europe PMC"} xref: PMID:15542410 {source="Europe PMC"} xref: PMID:15590729 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:18226435 {source="Europe PMC"} xref: PMID:18335236 {source="Europe PMC"} xref: PMID:18631321 {source="Europe PMC"} xref: PMID:19010312 {source="Europe PMC"} xref: PMID:19386367 {source="Europe PMC"} xref: PMID:19706045 {source="Europe PMC"} xref: PMID:21699808 {source="Europe PMC"} xref: PMID:22866967 {source="Europe PMC"} xref: PMID:445303 {source="Europe PMC"} xref: Reaxys:779271 {source="Reaxys"} xref: Wikipedia:Aspirin is_a: CHEBI:140310 ! phenyl acetates is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:26596 ! salicylates relationship: has_functional_parent CHEBI:16914 ! salicylic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:49023 ! prostaglandin antagonist relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:73182 ! plant activator relationship: has_role CHEBI:77425 ! EC 1.1.1.188 (prostaglandin-F synthase) inhibitor relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:13719 ! acetylsalicylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSYNRYMUTXBXSQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Oc1ccccc1C(O)=O" xsd:string [Term] id: CHEBI:15366 name: acetic acid namespace: chebi_ontology alt_id: CHEBI:22169 alt_id: CHEBI:2387 alt_id: CHEBI:40486 def: "A simple monocarboxylic acid containing two carbons." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, preservative. subset: 3_STAR synonym: "ACETIC ACID" EXACT [PDBeChem] synonym: "Acetic acid" EXACT [KEGG_COMPOUND] synonym: "acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide acetique" RELATED [ChemIDplus] synonym: "AcOH" RELATED [ChEBI] synonym: "CH3-COOH" RELATED [IUPAC] synonym: "CH3CO2H" RELATED [ChEBI] synonym: "E 260" RELATED [ChEBI] synonym: "E-260" RELATED [ChEBI] synonym: "E260" RELATED [ChEBI] synonym: "Essigsaeure" RELATED [ChEBI] synonym: "Ethanoic acid" RELATED [KEGG_COMPOUND] synonym: "ethoic acid" RELATED [ChEBI] synonym: "Ethylic acid" RELATED [ChemIDplus] synonym: "HOAc" RELATED [ChEBI] synonym: "INS No. 260" RELATED [ChEBI] synonym: "MeCO2H" RELATED [ChEBI] synonym: "MeCOOH" RELATED [ChEBI] synonym: "Methanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:506007 {source="Beilstein"} xref: CAS:64-19-7 {source="ChemIDplus"} xref: CAS:64-19-7 {source="NIST Chemistry WebBook"} xref: CAS:64-19-7 {source="KEGG COMPOUND"} xref: Codex:\:260 xref: Drug_Central:4211 {source="DrugCentral"} xref: Europe:\:260 xref: Gmelin:1380 {source="Gmelin"} xref: HMDB:HMDB0000042 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2977 xref: KEGG:C00033 xref: KEGG:D00010 xref: KNApSAcK:C00001176 xref: LIPID_MAPS_instance:LMFA01010002 {source="LIPID MAPS"} xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PDBeChem:ACY xref: PMID:12005138 {source="Europe PMC"} xref: PMID:15107950 {source="Europe PMC"} xref: PMID:16630552 {source="Europe PMC"} xref: PMID:16774200 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:19416101 {source="Europe PMC"} xref: PMID:19469536 {source="Europe PMC"} xref: PMID:22153255 {source="Europe PMC"} xref: PMID:22173419 {source="Europe PMC"} xref: PPDB:1333 xref: Reaxys:506007 {source="Reaxys"} xref: Wikipedia:Acetic_acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:64049 ! food acidity regulator relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:30089 ! acetate property_value: hasSynonym "acetic acid, glacial" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=O" xsd:string property_value: IAO:0000118 "acetic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15367 name: all-trans-retinoic acid namespace: chebi_ontology alt_id: CHEBI:45376 alt_id: CHEBI:8815 def: "A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry." [] subset: 3_STAR synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid" RELATED [ChEBI] synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid" RELATED [ChemIDplus] synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid" RELATED [LIPID_MAPS] synonym: "Acide retinoique (French)" RELATED [KEGG_COMPOUND] synonym: "AGN 100335" RELATED [KEGG_COMPOUND] synonym: "all-(E)-retinoic acid" RELATED [KEGG_COMPOUND] synonym: "all-trans retinoic acid" RELATED [ChemIDplus] synonym: "all-trans-beta-Retinoic acid" RELATED [KEGG_COMPOUND] synonym: "all-trans-retinoic acid" EXACT [KEGG_COMPOUND] synonym: "all-trans-tretinoin" RELATED [KEGG_COMPOUND] synonym: "all-trans-vitamin A acid" RELATED [KEGG_COMPOUND] synonym: "all-trans-vitamin A1 acid" RELATED [KEGG_COMPOUND] synonym: "Altreno" RELATED BRAND_NAME [DrugBank] synonym: "Atralin" RELATED BRAND_NAME [ChemIDplus] synonym: "Avita" RELATED BRAND_NAME [ChemIDplus] synonym: "beta-Retinoic acid" RELATED [KEGG_COMPOUND] synonym: "Betarretin" RELATED BRAND_NAME [ChemIDplus] synonym: "Biacna" RELATED BRAND_NAME [DrugBank] synonym: "Cordes vas" RELATED BRAND_NAME [ChemIDplus] synonym: "Dermairol" RELATED BRAND_NAME [ChemIDplus] synonym: "Refissa" RELATED BRAND_NAME [ChemIDplus] synonym: "Renova" RELATED BRAND_NAME [DrugBank] synonym: "Retin-A" RELATED BRAND_NAME [DrugBank] synonym: "retinoic acid" RELATED [KEGG_COMPOUND] synonym: "Retisol-A" RELATED BRAND_NAME [DrugBank] synonym: "Ro 1-5488" RELATED [KEGG_COMPOUND] synonym: "Stieva-A" RELATED BRAND_NAME [DrugBank] synonym: "trans-retinoic acid" RELATED [KEGG_COMPOUND] synonym: "Tretin M" RELATED [KEGG_COMPOUND] synonym: "tretinoin" RELATED INN [WHO_MedNet] synonym: "tretinoina" RELATED INN [WHO_MedNet] synonym: "tretinoine" RELATED INN [WHO_MedNet] synonym: "tretinoinum" RELATED INN [WHO_MedNet] synonym: "Tri-luma" RELATED BRAND_NAME [DrugBank] synonym: "Veltin" RELATED BRAND_NAME [DrugBank] synonym: "Vesanoid" RELATED BRAND_NAME [DrugBank] synonym: "vitamin A acid" RELATED [KEGG_COMPOUND] xref: Beilstein:2057223 {source="Beilstein"} xref: CAS:302-79-4 {source="ChemIDplus"} xref: CAS:302-79-4 {source="KEGG COMPOUND"} xref: Drug_Central:2722 {source="DrugCentral"} xref: DrugBank:DB00755 xref: FooDB:FDB022710 xref: HMDB:HMDB0001852 xref: KEGG:C00777 xref: KEGG:D00094 xref: LIPID_MAPS_instance:LMPR01090019 {source="LIPID MAPS"} xref: PDBeChem:REA xref: PMID:10022884 {source="Europe PMC"} xref: PMID:10970886 {source="Europe PMC"} xref: PMID:11073974 {source="Europe PMC"} xref: PMID:11214352 {source="Europe PMC"} xref: PMID:11332619 {source="Europe PMC"} xref: PMID:11343416 {source="Europe PMC"} xref: PMID:11437362 {source="Europe PMC"} xref: PMID:11556813 {source="Europe PMC"} xref: PMID:11722649 {source="Europe PMC"} xref: PMID:11896294 {source="Europe PMC"} xref: PMID:11904404 {source="Europe PMC"} xref: PMID:12958591 {source="Europe PMC"} xref: PMID:14581379 {source="Europe PMC"} xref: PMID:14605492 {source="Europe PMC"} xref: PMID:14627725 {source="Europe PMC"} xref: PMID:14704332 {source="Europe PMC"} xref: PMID:14705145 {source="Europe PMC"} xref: PMID:14978018 {source="Europe PMC"} xref: PMID:15194426 {source="Europe PMC"} xref: PMID:15318809 {source="Europe PMC"} xref: PMID:15327395 {source="Europe PMC"} xref: PMID:15359008 {source="Europe PMC"} xref: PMID:15376324 {source="Europe PMC"} xref: PMID:15476854 {source="Europe PMC"} xref: PMID:15537748 {source="Europe PMC"} xref: PMID:15539337 {source="Europe PMC"} xref: PMID:15675886 {source="Europe PMC"} xref: PMID:15839997 {source="Europe PMC"} xref: PMID:16569247 {source="Europe PMC"} xref: PMID:16685080 {source="Europe PMC"} xref: PMID:16688769 {source="Europe PMC"} xref: PMID:16720557 {source="Europe PMC"} xref: PMID:16819260 {source="Europe PMC"} xref: PMID:16847436 {source="Europe PMC"} xref: PMID:16920920 {source="Europe PMC"} xref: PMID:17073551 {source="Europe PMC"} xref: PMID:17166212 {source="Europe PMC"} xref: PMID:17204142 {source="Europe PMC"} xref: PMID:17447762 {source="Europe PMC"} xref: PMID:18052213 {source="Europe PMC"} xref: PMID:18085670 {source="Europe PMC"} xref: PMID:18162363 {source="Europe PMC"} xref: PMID:18183617 {source="Europe PMC"} xref: PMID:18318655 {source="Europe PMC"} xref: PMID:18322276 {source="Europe PMC"} xref: PMID:18400206 {source="Europe PMC"} xref: PMID:18404486 {source="Europe PMC"} xref: PMID:18440196 {source="Europe PMC"} xref: PMID:18678272 {source="Europe PMC"} xref: PMID:18800767 {source="Europe PMC"} xref: PMID:18819820 {source="Europe PMC"} xref: PMID:18977311 {source="Europe PMC"} xref: PMID:19018099 {source="Europe PMC"} xref: PMID:19112091 {source="Europe PMC"} xref: PMID:19144697 {source="Europe PMC"} xref: PMID:19427305 {source="Europe PMC"} xref: PMID:19587328 {source="Europe PMC"} xref: PMID:19597529 {source="Europe PMC"} xref: PMID:19814868 {source="Europe PMC"} xref: PMID:19841174 {source="Europe PMC"} xref: PMID:21898109 {source="Europe PMC"} xref: PMID:21924320 {source="Europe PMC"} xref: PMID:21993673 {source="Europe PMC"} xref: PMID:22134377 {source="Europe PMC"} xref: PMID:22177959 {source="Europe PMC"} xref: PMID:22180426 {source="Europe PMC"} xref: PMID:22244299 {source="Europe PMC"} xref: PMID:22261335 {source="Europe PMC"} xref: PMID:22428994 {source="Europe PMC"} xref: PMID:22514600 {source="Europe PMC"} xref: PMID:22532966 {source="Europe PMC"} xref: PMID:22534100 {source="Europe PMC"} xref: PMID:22538278 {source="Europe PMC"} xref: PMID:22741806 {source="Europe PMC"} xref: PMID:27759097 {source="Europe PMC"} xref: PMID:29492455 {source="Europe PMC"} xref: PMID:33662750 {source="Europe PMC"} xref: PMID:33820492 {source="Europe PMC"} xref: PMID:34050114 {source="Europe PMC"} xref: PMID:34050360 {source="Europe PMC"} xref: PMID:34091189 {source="Europe PMC"} xref: PMID:7501014 {source="Europe PMC"} xref: PMID:7704533 {source="Europe PMC"} xref: PMID:7961949 {source="Europe PMC"} xref: Reaxys:2057223 {source="Reaxys"} xref: Wikipedia:Retinoic_acid xref: Wikipedia:Tretinoin is_a: CHEBI:12777 ! vitamin A is_a: CHEBI:26536 ! retinoic acid relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:63794 ! retinoid X receptor agonist relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:67198 ! retinoic acid receptor agonist relationship: has_role CHEBI:67199 ! AP-1 antagonist relationship: is_conjugate_acid_of CHEBI:35291 ! all-trans-retinoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-YCNIQYBTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.43512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O" xsd:string [Term] id: CHEBI:15368 name: acrolein is_a: CHEBI:51688 ! enal [Term] id: CHEBI:15369 name: actinomycin namespace: chebi_ontology alt_id: CHEBI:13723 alt_id: CHEBI:22220 alt_id: CHEBI:2445 def: "A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides." [] subset: 3_STAR synonym: "Actinomycin" EXACT [KEGG_COMPOUND] synonym: "actinomycins" RELATED [ChEBI] xref: CAS:1402-38-6 {source="KEGG COMPOUND"} xref: CAS:1402-38-6 {source="ChemIDplus"} xref: KEGG:C01775 is_a: CHEBI:23239 ! chromopeptide [Term] id: CHEBI:15377 name: water namespace: chebi_ontology alt_id: CHEBI:10743 alt_id: CHEBI:13352 alt_id: CHEBI:27313 alt_id: CHEBI:42043 alt_id: CHEBI:42857 alt_id: CHEBI:43228 alt_id: CHEBI:44292 alt_id: CHEBI:44701 alt_id: CHEBI:44819 alt_id: CHEBI:5585 def: "An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms" [] def: "An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms." [] subset: 3_STAR synonym: "[OH2]" RELATED [IUPAC] synonym: "acqua" RELATED [ChEBI] synonym: "agua" RELATED [ChEBI] synonym: "aqua" RELATED [ChEBI] synonym: "BOUND WATER" RELATED [PDBeChem] synonym: "dihydridooxygen" RELATED [IUPAC] synonym: "dihydrogen oxide" RELATED [IUPAC] synonym: "eau" RELATED [ChEBI] synonym: "H2O" RELATED [KEGG_COMPOUND] synonym: "H2O" RELATED [UniProt] synonym: "HOH" RELATED [ChEBI] synonym: "hydrogen hydroxide" RELATED [ChEBI] synonym: "oxidane" EXACT IUPAC_NAME [IUPAC] synonym: "Wasser" RELATED [ChEBI] synonym: "WATER" EXACT [PDBeChem] synonym: "Water" EXACT [KEGG_COMPOUND] synonym: "water" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587155 "Beilstein" xref: Beilstein:3587155 {source="Beilstein"} xref: CAS:7732-18-5 "KEGG COMPOUND" xref: CAS:7732-18-5 {source="NIST Chemistry WebBook"} xref: CAS:7732-18-5 {source="ChemIDplus"} xref: CAS:7732-18-5 {source="KEGG COMPOUND"} xref: Gmelin:117 "Gmelin" xref: Gmelin:117 {source="Gmelin"} xref: HMDB:HMDB0002111 xref: KEGG:C00001 xref: KEGG:D00001 xref: MetaCyc:WATER xref: MolBase:1 xref: PDBeChem:HOH xref: Reaxys:3587155 {source="Reaxys"} xref: Reaxys:3587155 "Reaxys" xref: Wikipedia:Water is_a: CDNO:0000001 ! dietary chemical component is_a: CHEBI:33693 ! oxygen hydride is_a: CHEBI:37176 ! mononuclear parent hydride is_a: CHEBI:52625 ! inorganic hydroxy compound relationship: has_role CHEBI:48360 ! amphiprotic solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16234 ! hydroxide relationship: is_conjugate_base_of CHEBI:29412 ! oxonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.01530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[H]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:15379 name: dioxygen namespace: chebi_ontology alt_id: CHEBI:10745 alt_id: CHEBI:13416 alt_id: CHEBI:23833 alt_id: CHEBI:25366 alt_id: CHEBI:30491 alt_id: CHEBI:44742 alt_id: CHEBI:7860 subset: 3_STAR synonym: "[OO]" RELATED [MolBase] synonym: "dioxygen" EXACT IUPAC_NAME [IUPAC] synonym: "dioxygene" RELATED [ChEBI] synonym: "Disauerstoff" RELATED [ChEBI] synonym: "E 948" RELATED [ChEBI] synonym: "E-948" RELATED [ChEBI] synonym: "E948" RELATED [ChEBI] synonym: "molecular oxygen" RELATED [ChEBI] synonym: "O2" RELATED [UniProt] synonym: "O2" RELATED [IUPAC] synonym: "O2" RELATED [KEGG_COMPOUND] synonym: "Oxygen" RELATED [KEGG_COMPOUND] synonym: "OXYGEN MOLECULE" RELATED [PDBeChem] xref: CAS:7782-44-7 {source="NIST Chemistry WebBook"} xref: CAS:7782-44-7 {source="ChemIDplus"} xref: CAS:7782-44-7 {source="KEGG COMPOUND"} xref: Gmelin:485 {source="Gmelin"} xref: HMDB:HMDB0001377 xref: KEGG:C00007 xref: KEGG:D00003 xref: MetaCyc:OXYGEN-MOLECULE xref: MolBase:750 xref: PDBeChem:OXY xref: PMID:10906528 {source="Europe PMC"} xref: PMID:16977326 {source="Europe PMC"} xref: PMID:18210929 {source="Europe PMC"} xref: PMID:18638417 {source="Europe PMC"} xref: PMID:19840863 {source="Europe PMC"} xref: PMID:7710549 {source="Europe PMC"} xref: PMID:9463773 {source="Europe PMC"} xref: Wikipedia:Oxygen is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:25362 ! elemental molecule is_a: CHEBI:33263 ! diatomic oxygen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77974 ! food packaging gas relationship: is_conjugate_base_of CHEBI:29793 ! hydridodioxygen(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2/c1-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYMOFIZGZYHOMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=O" xsd:string [Term] id: CHEBI:15407 name: (-)-ephedrine namespace: chebi_ontology alt_id: CHEBI:10776 alt_id: CHEBI:132176 alt_id: CHEBI:18483 alt_id: CHEBI:4801 def: "A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively." [] subset: 3_STAR synonym: "(-)-Ephedrine" EXACT [KEGG_COMPOUND] synonym: "(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane" RELATED [ChEBI] synonym: "(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Ephedrine" RELATED [KEGG_COMPOUND] synonym: "L(-)-ephedrine" RELATED [ChemIDplus] synonym: "L-Ephedrine" RELATED [KEGG_COMPOUND] synonym: "l-ephedrine" RELATED [ChemIDplus] synonym: "L-erythro-2-(methylamino)-1-phenylpropan-1-ol" RELATED [NIST_Chemistry_WebBook] xref: CAS:299-42-3 {source="NIST Chemistry WebBook"} xref: CAS:299-42-3 {source="ChemIDplus"} xref: CAS:299-42-3 {source="KEGG COMPOUND"} xref: Chemspider:4856 xref: Drug_Central:1024 {source="DrugCentral"} xref: DrugBank:DB01364 xref: Gmelin:261389 {source="Gmelin"} xref: KEGG:C01575 xref: KEGG:D00124 xref: KNApSAcK:C00001409 xref: PMID:13359219 {source="Europe PMC"} xref: PMID:13809594 {source="Europe PMC"} xref: PMID:21465337 {source="Europe PMC"} xref: PMID:25660335 {source="Europe PMC"} xref: PMID:27662264 {source="Europe PMC"} xref: PMID:27846433 {source="Europe PMC"} xref: Reaxys:2208730 {source="Reaxys"} xref: VSDB:2959 xref: Wikipedia:Ephedrine is_a: CHEBI:25990 ! phenylethanolamines is_a: CHEBI:38605 ! phenethylamine alkaloid relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50514 ! vasoconstrictor agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:77715 ! nasal decongestant relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:57295 ! (-)-ephedrinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGRBVOPPLSCSI-WPRPVWTQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.23220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.11536" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@@H](C)[C@H](O)c1ccccc1" xsd:string [Term] id: CHEBI:15422 name: ATP namespace: chebi_ontology alt_id: CHEBI:10789 alt_id: CHEBI:10841 alt_id: CHEBI:13236 alt_id: CHEBI:22249 alt_id: CHEBI:2359 alt_id: CHEBI:40938 def: "An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways." [] subset: 3_STAR synonym: "adenosine 5'-(tetrahydrogen triphosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Adenosine 5'-triphosphate" RELATED [KEGG_COMPOUND] synonym: "Adenosine triphosphate" RELATED [ChemIDplus] synonym: "ADENOSINE-5'-TRIPHOSPHATE" RELATED [PDBeChem] synonym: "ATP" EXACT [KEGG_COMPOUND] synonym: "H4atp" RELATED [IUPAC] xref: Beilstein:73010 {source="Beilstein"} xref: CAS:56-65-5 {source="ChemIDplus"} xref: CAS:56-65-5 {source="KEGG COMPOUND"} xref: Drug_Central:91 {source="DrugCentral"} xref: DrugBank:DB00171 xref: Gmelin:34857 {source="Gmelin"} xref: HMDB:HMDB0000538 xref: KEGG:C00002 xref: KEGG:D08646 xref: KNApSAcK:C00001491 xref: Patent:US3079379 xref: PDBeChem:ATP xref: Reaxys:73010 {source="Reaxys"} xref: Wikipedia:Adenosine_triphosphate is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:57299 ! ATP(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N5O13P3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKHQWZAMYRWXGA-KQYNXXCUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "507.18100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "506.99575" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:15428 name: glycine namespace: chebi_ontology alt_id: CHEBI:10792 alt_id: CHEBI:14344 alt_id: CHEBI:24368 alt_id: CHEBI:42964 alt_id: CHEBI:5460 def: "The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain." [] subset: 3_STAR synonym: "Aminoacetic acid" RELATED [KEGG_COMPOUND] synonym: "aminoacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Aminoessigsaeure" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [JCBN] synonym: "G" RELATED [ChEBI] synonym: "Gly" RELATED [KEGG_COMPOUND] synonym: "Glycin" RELATED [ChemIDplus] synonym: "GLYCINE" EXACT [PDBeChem] synonym: "Glycine" EXACT [KEGG_COMPOUND] synonym: "glycine" EXACT IUPAC_NAME [IUPAC] synonym: "Glycocoll" RELATED [ChemIDplus] synonym: "Glykokoll" RELATED [ChEBI] synonym: "Glyzin" RELATED [ChEBI] synonym: "H2N-CH2-COOH" RELATED [IUPAC] synonym: "Hgly" RELATED [IUPAC] synonym: "Leimzucker" RELATED [ChemIDplus] xref: Beilstein:635782 {source="Beilstein"} xref: CAS:56-40-6 {source="NIST Chemistry WebBook"} xref: CAS:56-40-6 {source="ChemIDplus"} xref: CAS:56-40-6 {source="KEGG COMPOUND"} xref: Drug_Central:1319 {source="DrugCentral"} xref: DrugBank:DB00145 xref: ECMDB:ECMDB00123 xref: Gmelin:1808 {source="Gmelin"} xref: HMDB:HMDB0000123 xref: KEGG:C00037 xref: KEGG:D00011 xref: KNApSAcK:C00001361 xref: MetaCyc:GLY xref: PDBeChem:GLY xref: PMID:10930630 {source="Europe PMC"} xref: PMID:11019925 {source="Europe PMC"} xref: PMID:11174716 {source="Europe PMC"} xref: PMID:11542461 {source="Europe PMC"} xref: PMID:11806864 {source="Europe PMC"} xref: PMID:12631515 {source="Europe PMC"} xref: PMID:12754315 {source="Europe PMC"} xref: PMID:12770151 {source="Europe PMC"} xref: PMID:12921899 {source="Europe PMC"} xref: PMID:15331688 {source="Europe PMC"} xref: PMID:15388434 {source="Europe PMC"} xref: PMID:15710237 {source="Europe PMC"} xref: PMID:16105183 {source="Europe PMC"} xref: PMID:16151895 {source="Europe PMC"} xref: PMID:16214212 {source="Europe PMC"} xref: PMID:16417482 {source="Europe PMC"} xref: PMID:16444815 {source="Europe PMC"} xref: PMID:16664855 {source="Europe PMC"} xref: PMID:16901953 {source="Europe PMC"} xref: PMID:16918424 {source="Europe PMC"} xref: PMID:16986325 {source="Europe PMC"} xref: PMID:16998855 {source="Europe PMC"} xref: PMID:17154252 {source="Europe PMC"} xref: PMID:17383967 {source="Europe PMC"} xref: PMID:17582620 {source="Europe PMC"} xref: PMID:17970719 {source="Europe PMC"} xref: PMID:18079355 {source="Europe PMC"} xref: PMID:18396796 {source="Europe PMC"} xref: PMID:18440992 {source="Europe PMC"} xref: PMID:18593588 {source="Europe PMC"} xref: PMID:18816054 {source="Europe PMC"} xref: PMID:18840508 {source="Europe PMC"} xref: PMID:19028609 {source="Europe PMC"} xref: PMID:19120667 {source="Europe PMC"} xref: PMID:19449910 {source="Europe PMC"} xref: PMID:19526731 {source="Europe PMC"} xref: PMID:19544666 {source="Europe PMC"} xref: PMID:19738917 {source="Europe PMC"} xref: PMID:19916621 {source="Europe PMC"} xref: PMID:19924257 {source="Europe PMC"} xref: PMID:21751272 {source="Europe PMC"} xref: PMID:22044190 {source="Europe PMC"} xref: PMID:22079563 {source="Europe PMC"} xref: PMID:22234938 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22293292 {source="Europe PMC"} xref: PMID:22401276 {source="Europe PMC"} xref: PMID:22434786 {source="Europe PMC"} xref: Reaxys:635782 {source="Reaxys"} xref: Wikipedia:Glycine xref: YMDB:YMDB00016 is_a: CHEBI:26650 ! serine family amino acid relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:62868 ! hepatoprotective agent relationship: has_role CHEBI:64570 ! EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor relationship: has_role CHEBI:64571 ! NMDA receptor agonist relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32508 ! glycinate relationship: is_conjugate_base_of CHEBI:32507 ! glycinium relationship: is_tautomer_of CHEBI:57305 ! glycine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)=O" xsd:string [Term] id: CHEBI:15440 name: squalene namespace: chebi_ontology alt_id: CHEBI:10795 alt_id: CHEBI:10843 alt_id: CHEBI:15104 alt_id: CHEBI:26746 alt_id: CHEBI:9245 def: "A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration." [] subset: 3_STAR synonym: "(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene" EXACT IUPAC_NAME [IUPAC] synonym: "(all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene" RELATED [NIST_Chemistry_WebBook] synonym: "Spinacene" RELATED [KEGG_COMPOUND] synonym: "Squalene" EXACT [KEGG_COMPOUND] synonym: "squalene" EXACT [UniProt] synonym: "Supraene" RELATED [KEGG_COMPOUND] xref: Beilstein:1728920 {source="Beilstein"} xref: CAS:111-02-4 {source="KEGG COMPOUND"} xref: CAS:111-02-4 {source="ChemIDplus"} xref: CAS:111-02-4 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0000256 xref: KEGG:C00751 xref: KNApSAcK:C00003755 xref: LIPID_MAPS_instance:LMPR0106010002 {source="LIPID MAPS"} xref: MetaCyc:SQUALENE xref: PDBeChem:SQL xref: PMID:16341241 {source="Europe PMC"} xref: PMID:23625688 {source="Europe PMC"} xref: PMID:24362891 {source="Europe PMC"} xref: PMID:25286851 {source="Europe PMC"} xref: PMID:25286853 {source="Europe PMC"} xref: PMID:25987292 {source="Europe PMC"} xref: Wikipedia:Squalene is_a: CHEBI:35191 ! triterpene relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H50" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YYGNTYWPHWGJRM-AAJYLUCBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.39125" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C=C(/C)CC\\C=C(/C)CCC=C(C)C" xsd:string [Term] id: CHEBI:15443 name: inulin namespace: chebi_ontology alt_id: CHEBI:10799 alt_id: CHEBI:10845 alt_id: CHEBI:169 alt_id: CHEBI:18519 alt_id: CHEBI:24854 subset: 3_STAR synonym: "(1,2-beta-D-Fructosyl)n" RELATED [] synonym: "(1,2-beta-D-fructosyl)n" RELATED [] synonym: "(2,1-beta-D-Fructosyl)n" RELATED [] synonym: "(2,1-beta-D-fructosyl)n" RELATED [] synonym: "(2->1)-beta-D-fructofuranan" EXACT [] synonym: "Inulin" EXACT [] xref: CAS:9005-80-5 xref: DrugBank:DB00638 xref: KEGG:C03323 xref: KEGG:D00171 xref: KEGG:G10497 is_a: CHEBI:28796 ! fructan property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H20O11)n" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:15570 name: D-alanine namespace: chebi_ontology alt_id: CHEBI:10840 alt_id: CHEBI:12899 alt_id: CHEBI:20893 alt_id: CHEBI:4087 alt_id: CHEBI:41756 alt_id: CHEBI:41798 alt_id: CHEBI:41848 alt_id: CHEBI:41877 def: "The D-enantiomer of alanine." [] subset: 3_STAR synonym: "(2R)-2-aminopropanoic acid" RELATED [IUPAC] synonym: "(R)-2-aminopropanoic acid" RELATED [ChEBI] synonym: "(R)-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "D-2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Ala" RELATED [KEGG_COMPOUND] synonym: "D-Alanin" RELATED [ChEBI] synonym: "D-Alanine" EXACT [KEGG_COMPOUND] synonym: "D-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "D-alpha-aminopropionic acid" RELATED [ChEBI] synonym: "DAL" RELATED [PDBeChem] xref: Beilstein:1720249 {source="Beilstein"} xref: CAS:338-69-2 {source="ChemIDplus"} xref: CAS:338-69-2 {source="NIST Chemistry WebBook"} xref: CAS:338-69-2 {source="KEGG COMPOUND"} xref: DrugBank:DB01786 xref: ECMDB:ECMDB01310 xref: Gmelin:82157 {source="Gmelin"} xref: HMDB:HMDB0001310 xref: KEGG:C00133 xref: KNApSAcK:C00019654 xref: MetaCyc:D-ALANINE xref: PDBeChem:DAL xref: PMID:10977898 {source="Europe PMC"} xref: PMID:1450921 {source="Europe PMC"} xref: PMID:22005737 {source="Europe PMC"} xref: PMID:22075031 {source="Europe PMC"} xref: PMID:22123251 {source="Europe PMC"} xref: PMID:22313760 {source="Europe PMC"} xref: PMID:3275662 {source="Europe PMC"} xref: Reaxys:1720249 {source="Reaxys"} xref: YMDB:YMDB00993 is_a: CHEBI:16449 ! alanine is_a: CHEBI:16733 ! D-alpha-amino acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor relationship: is_conjugate_acid_of CHEBI:32435 ! D-alaninate relationship: is_conjugate_base_of CHEBI:32436 ! D-alaninium relationship: is_enantiomer_of CHEBI:16977 ! L-alanine relationship: is_tautomer_of CHEBI:57416 ! D-alanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](N)C(O)=O" xsd:string [Term] id: CHEBI:15571 name: hydrazine namespace: chebi_ontology alt_id: CHEBI:10842 alt_id: CHEBI:14413 alt_id: CHEBI:24630 alt_id: CHEBI:5777 subset: 3_STAR synonym: "diamine" RELATED [ChemIDplus] synonym: "diazane" EXACT IUPAC_NAME [IUPAC] synonym: "H2NNH2" RELATED [IUPAC] synonym: "Hydrazin" RELATED [ChEBI] synonym: "Hydrazine" EXACT [KEGG_COMPOUND] synonym: "hydrazine" EXACT [UniProt] synonym: "hydrazine" EXACT IUPAC_NAME [IUPAC] synonym: "N2H4" RELATED [IUPAC] synonym: "nitrogen hydride" RELATED [ChemIDplus] xref: Beilstein:878137 {source="Beilstein"} xref: CAS:302-01-2 {source="ChemIDplus"} xref: CAS:302-01-2 {source="KEGG COMPOUND"} xref: Gmelin:190 {source="Gmelin"} xref: KEGG:C05361 xref: UM-BBD_compID:c0651 {source="UM-BBD"} is_a: CHEBI:24631 ! hydrazines is_a: CHEBI:35107 ! azane relationship: has_role CHEBI:77090 ! EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor relationship: is_conjugate_acid_of CHEBI:30095 ! hydrazinide relationship: is_conjugate_base_of CHEBI:35324 ! hydrazinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4N2/c1-2/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAKJQQAXSVQMHS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.04524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NN" xsd:string [Term] id: CHEBI:155837 name: tripeptide zwitterion namespace: chebi_ontology def: "A peptide zwitterion obtained from the tranfer of a proton from the carboxy group to the amino group of any tripeptide. It contains an equal number of positively-charged and negatively-charged functional groups. Major structure at pH 7.3." [] subset: 3_STAR synonym: "amino acid tripeptide zwitterion" RELATED [ChEBI] synonym: "amino acid tripeptide zwitterions" RELATED [ChEBI] synonym: "an L-amino acid tripeptide" RELATED [UniProt] synonym: "L-amino acid tripeptide zwitterion" RELATED [ChEBI] synonym: "L-amino acid tripeptide zwitterions" RELATED [ChEBI] is_a: CHEBI:60466 ! peptide zwitterion relationship: is_tautomer_of CHEBI:47923 ! tripeptide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N3O4R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.05148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)([C@@H]([NH3+])*)N[C@H](C(=O)N[C@H](C(=O)[O-])*)*" xsd:string [Term] id: CHEBI:155903 name: copper(II) phthalocyanine is_a: CHEBI:155908 ! copper tetrapyrrole is_a: CHEBI:51585 ! metallophthalocyanine [Term] id: CHEBI:155908 name: copper tetrapyrrole is_a: CHEBI:33909 ! metallotetrapyrrole is_a: CHEBI:37403 ! copper coordination entity [Term] id: CHEBI:156062 name: chlorinated naphthalene namespace: chebi_ontology def: "A group of compounds based on the naphthalene ring system where one or more hydrogen atoms have been replaced by chlorine. The generic molecular formula is C10H8-nCln, where n = 1-8. There are 75 possible chlorinated naphthalenes and they are commonly used in the electrical industry and as additives." [] subset: 3_STAR synonym: "Chlorierte Naphthaline" RELATED [ChEBI] synonym: "chlorinated naphthalenes" RELATED [ChemIDplus] synonym: "chloronaphthalene" RELATED [ChEBI] synonym: "chloronaphthalene derivative" RELATED [ChEBI] synonym: "chloronaphthalene derivatives" RELATED [ChEBI] synonym: "chloronaphthalenes" RELATED [ChEBI] synonym: "naphthalene, chloro derivative" RELATED [ChEBI] synonym: "naphthalene, chloro derivatives" RELATED [ChEBI] synonym: "naphthalene, chloro derivs" RELATED [ChemIDplus] synonym: "naphthalenes chlores" RELATED [ChEBI] xref: CAS:70776-03-3 {source="ChemIDplus"} xref: PMID:10697135 {source="Europe PMC"} xref: PMID:14668151 {source="Europe PMC"} xref: PMID:15683156 {source="Europe PMC"} xref: PMID:15939452 {source="Europe PMC"} xref: PMID:16134358 {source="Europe PMC"} xref: PMID:29710642 {source="Europe PMC"} is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:36683 ! organochlorine compound relationship: has_parent_hydride CHEBI:16482 ! naphthalene [Term] id: CHEBI:156132 name: L-thialysinium namespace: chebi_ontology def: "Major microspecies at pH 7.3." [] subset: 2_STAR synonym: "S-(2-aminoethyl)-L-cysteine" RELATED [UniProt] synonym: "S-(beta-aminoethyl)-L-cysteine" RELATED [SUBMITTER] xref: MetaCyc:S-2-AMINOETHYL-L-CYSTEINE {source="SUBMITTER"} xref: PMID:14766574 {source="SUBMITTER"} is_a: CHEBI:47910 ! S-substituted L-cysteine relationship: is_conjugate_acid_of CHEBI:497734 ! L-thialysine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H13N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHSJKUNUIHUPDF-BYPYZUCNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.06923" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([C@H](CSCC[NH3+])[NH3+])=O" xsd:string [Term] id: CHEBI:156473 name: cyclobutanes namespace: chebi_ontology def: "Cyclobutane and its derivatives formed by substitution." [] subset: 3_STAR is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:156548 name: kainate(1-) namespace: chebi_ontology def: "A dicarboxylate resulting from deprotonation of both carboxy groups of kainic acid, and protonation of its amine group. Major species at pH 7.3." [] subset: 2_STAR synonym: "kainate" RELATED [UniProt] xref: MetaCyc:CPD-22470 {source="SUBMITTER"} xref: PMID:16847640 {source="SUBMITTER"} xref: PMID:30995339 {source="SUBMITTER"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_base_of CHEBI:31746 ! kainic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-1/t6-,7+,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLSMHEGGTFMBBZ-OOZYFLPDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.09283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH2+]1C[C@@H]([C@@H]([C@H]1C(=O)[O-])CC(=O)[O-])C(=C)C" xsd:string [Term] id: CHEBI:15693 name: aldose namespace: chebi_ontology alt_id: CHEBI:13755 alt_id: CHEBI:22305 alt_id: CHEBI:2561 def: "Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals." [] subset: 3_STAR synonym: "Aldose" EXACT [KEGG_COMPOUND] synonym: "aldoses" RELATED [ChEBI] synonym: "an aldose" RELATED [UniProt] xref: KEGG:C01370 xref: Wikipedia:Aldose is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2(CH2O)n" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15699 name: L-homoserine namespace: chebi_ontology alt_id: CHEBI:13123 alt_id: CHEBI:21330 alt_id: CHEBI:43131 alt_id: CHEBI:6246 def: "The L-enantiomer of homoserine." [] subset: 3_STAR synonym: "(2S)-2-amino-4-hydroxybutanoic acid" RELATED [IUPAC] synonym: "2-Amino-4-hydroxybutanoic acid" RELATED [HMDB] synonym: "2-Amino-4-hydroxybutyric acid" RELATED [KEGG_COMPOUND] synonym: "Homoserine" RELATED [HMDB] synonym: "L-HOMOSERINE" EXACT [PDBeChem] synonym: "L-Homoserine" EXACT [KEGG_COMPOUND] synonym: "L-homoserine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1721681 {source="Beilstein"} xref: CAS:672-15-1 {source="ChemIDplus"} xref: CAS:672-15-1 {source="KEGG COMPOUND"} xref: DrugBank:DB04193 xref: HMDB:HMDB0000719 xref: KEGG:C00263 xref: KNApSAcK:C00001366 xref: MetaCyc:HOMO-SER xref: PDBeChem:HSE xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:1721681 {source="Reaxys"} xref: Wikipedia:Homoserine is_a: CHEBI:30653 ! homoserine relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_enantiomer_of CHEBI:30654 ! D-homoserine relationship: is_tautomer_of CHEBI:57476 ! L-homoserine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCO)C(O)=O" xsd:string [Term] id: CHEBI:15705 name: L-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:13072 alt_id: CHEBI:13243 alt_id: CHEBI:13797 alt_id: CHEBI:21224 alt_id: CHEBI:6175 def: "Any alpha-amino acid having L-configuration at the alpha-carbon." [] subset: 3_STAR synonym: "L-2-Amino acid" RELATED [KEGG_COMPOUND] synonym: "L-alpha-amino acid" EXACT [IUPAC] synonym: "L-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-amino acids" RELATED [ChEBI] synonym: "L-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00151 is_a: CHEBI:33704 ! alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59814 ! L-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59869 ! L-alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H]([*])C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15733 name: N-methylaniline namespace: chebi_ontology alt_id: CHEBI:12518 alt_id: CHEBI:21761 alt_id: CHEBI:7312 def: "A methylaniline that is aniline carrying a methyl substituent at the nitrogen atom." [] subset: 3_STAR synonym: "(Methylamino)benzene" RELATED [ChemIDplus] synonym: "Methylaniline" RELATED [ChemIDplus] synonym: "Methylphenylamine" RELATED [ChemIDplus] synonym: "Monomethylaniline" RELATED [ChemIDplus] synonym: "N-Methyl-N-phenylamine" RELATED [NIST_Chemistry_WebBook] synonym: "N-Methylaminobenzene" RELATED [ChemIDplus] synonym: "N-Methylaniline" EXACT [KEGG_COMPOUND] synonym: "N-methylaniline" EXACT [UniProt] synonym: "N-Methylbenzenamine" RELATED [KEGG_COMPOUND] synonym: "N-Methylphenylamine" RELATED [ChemIDplus] synonym: "N-Monomethylaniline" RELATED [ChemIDplus] synonym: "N-Phenylmethylamine" RELATED [ChemIDplus] xref: CAS:100-61-8 {source="ChemIDplus"} xref: CAS:100-61-8 {source="KEGG COMPOUND"} xref: KEGG:C02299 xref: PDBeChem:1MR xref: PMID:19223035 {source="Europe PMC"} xref: PMID:23357676 {source="Europe PMC"} xref: Reaxys:741982 {source="Reaxys"} xref: Wikipedia:N-Methylaniline is_a: CHEBI:25275 ! methylaniline is_a: CHEBI:32863 ! secondary amine is_a: CHEBI:60977 ! phenylalkylamine relationship: has_functional_parent CHEBI:17296 ! aniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFBPFSWMIHJQDM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.15310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNc1ccccc1" xsd:string [Term] id: CHEBI:15734 name: primary alcohol namespace: chebi_ontology alt_id: CHEBI:13676 alt_id: CHEBI:14887 alt_id: CHEBI:26262 alt_id: CHEBI:57489 alt_id: CHEBI:8406 def: "A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it." [] subset: 3_STAR synonym: "1-Alcohol" RELATED [KEGG_COMPOUND] synonym: "a primary alcohol" RELATED [UniProt] synonym: "Primary alcohol" EXACT [KEGG_COMPOUND] synonym: "primary alcohols" RELATED [ChEBI] xref: KEGG:C00226 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(O)([H])[H]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15738 name: staurosporine namespace: chebi_ontology alt_id: CHEBI:15106 alt_id: CHEBI:45788 alt_id: CHEBI:9252 subset: 3_STAR synonym: "(+)-Staurosporine" RELATED [ChemIDplus] synonym: "(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one" EXACT IUPAC_NAME [IUPAC] synonym: "AM-2282" RELATED [ChemIDplus] synonym: "antibiotic AM 2282" RELATED [ChemIDplus] synonym: "Staurosporin" RELATED [ChemIDplus] synonym: "Staurosporine" EXACT [KEGG_COMPOUND] synonym: "STS" RELATED [KEGG_COMPOUND] xref: CAS:62996-74-1 {source="ChemIDplus"} xref: CAS:62996-74-1 {source="KEGG COMPOUND"} xref: DrugBank:DB02010 xref: KEGG:C02079 xref: KNApSAcK:C00018127 xref: LINCS:LSM-1103 xref: PDBeChem:STU xref: PMID:15613975 {source="Europe PMC"} xref: PMID:15682296 {source="Europe PMC"} xref: PMID:18478334 {source="Europe PMC"} xref: PMID:22363408 {source="Europe PMC"} xref: PMID:32800439 {source="Europe PMC"} xref: PMID:34428735 {source="Europe PMC"} xref: Wikipedia:Staurosporine is_a: CHEBI:37697 ! indolocarbazole alkaloid is_a: CHEBI:38165 ! organic heterooctacyclic compound relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:37700 ! EC 2.7.11.13 (protein kinase C) inhibitor relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_base_of CHEBI:57491 ! staurosporinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H26N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKSZLNNOFSGOKW-FYTWVXJKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "466.541" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "466.20049" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O" xsd:string [Term] id: CHEBI:15739 name: isopropylamine namespace: chebi_ontology alt_id: CHEBI:14476 alt_id: CHEBI:24914 alt_id: CHEBI:6045 def: "A member of the class of alkylamines that is propane carrying an amino group at position 2." [] subset: 3_STAR synonym: "2-Aminopropane" RELATED [KEGG_COMPOUND] synonym: "2-aminopropane" RELATED [ChEBI] synonym: "2-Propanamine" RELATED [KEGG_COMPOUND] synonym: "2-propanamine" RELATED [ChEBI] synonym: "Isopropylamine" EXACT [KEGG_COMPOUND] synonym: "Monoisopropylamine" RELATED [KEGG_COMPOUND] synonym: "propan-2-amine" EXACT IUPAC_NAME [IUPAC] xref: CAS:75-31-0 {source="NIST Chemistry WebBook"} xref: CAS:75-31-0 {source="ChemIDplus"} xref: CAS:75-31-0 {source="KEGG COMPOUND"} xref: KEGG:C06748 xref: MetaCyc:ISOPROPYLAMINE xref: PMID:23897436 {source="Europe PMC"} xref: PMID:24365708 {source="Europe PMC"} xref: Reaxys:605259 {source="Reaxys"} xref: UM-BBD_compID:c0656 {source="UM-BBD"} xref: Wikipedia:Isopropylamine is_a: CHEBI:17062 ! primary aliphatic amine is_a: CHEBI:22331 ! alkylamines relationship: is_conjugate_base_of CHEBI:57492 ! isopropylaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JJWLVOIRVHMVIS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.11030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N" xsd:string [Term] id: CHEBI:15740 name: formate namespace: chebi_ontology alt_id: CHEBI:14276 alt_id: CHEBI:24081 def: "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "aminate" RELATED [ChEBI] synonym: "formate" EXACT IUPAC_NAME [IUPAC] synonym: "formate" EXACT [UniProt] synonym: "formiate" RELATED [ChEBI] synonym: "formic acid, ion(1-)" RELATED [ChemIDplus] synonym: "formylate" RELATED [ChEBI] synonym: "HCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylate" RELATED [ChEBI] synonym: "methanoate" RELATED [ChEBI] xref: Beilstein:1901205 {source="Beilstein"} xref: CAS:71-47-6 {source="ChemIDplus"} xref: CAS:71-47-6 {source="NIST Chemistry WebBook"} xref: Gmelin:1006 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: MetaCyc:FORMATE xref: PMID:17190852 {source="Europe PMC"} xref: PMID:3946945 {source="Europe PMC"} xref: Reaxys:1901205 {source="Reaxys"} xref: UM-BBD_compID:c0106 {source="UM-BBD"} xref: Wikipedia:Formate is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30751 ! formic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([O-])=O" xsd:string [Term] id: CHEBI:15743 name: butanal namespace: chebi_ontology alt_id: CHEBI:13923 alt_id: CHEBI:22938 alt_id: CHEBI:3233 def: "A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals." [] subset: 3_STAR synonym: "1-Butanal" RELATED [ChemIDplus] synonym: "1-Butanal" RELATED [HMDB] synonym: "Aldehyde butyrique" RELATED [ChemIDplus] synonym: "Aldeide butirrica" RELATED [ChemIDplus] synonym: "Butal" RELATED [ChemIDplus] synonym: "Butaldehyde" RELATED [ChemIDplus] synonym: "butan-1-al" RELATED [HMDB] synonym: "Butanal" EXACT [KEGG_COMPOUND] synonym: "butanal" EXACT IUPAC_NAME [IUPAC] synonym: "butanal" EXACT [UniProt] synonym: "Butanaldehyde" RELATED [ChemIDplus] synonym: "Butyl aldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Butylaldehyde" RELATED [ChemIDplus] synonym: "Butyral" RELATED [ChemIDplus] synonym: "Butyraldehyd" RELATED [ChemIDplus] synonym: "Butyraldehyde" RELATED [KEGG_COMPOUND] synonym: "Butyric aldehyde" RELATED [ChemIDplus] synonym: "Butyrylaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butanal" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butyl aldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butyraldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "n-C3H7CHO" RELATED [NIST_Chemistry_WebBook] xref: CAS:123-72-8 {source="KEGG COMPOUND"} xref: CAS:123-72-8 {source="ChemIDplus"} xref: CAS:123-72-8 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0003543 xref: KEGG:C01412 xref: MetaCyc:BUTANAL xref: PMID:16347493 {source="Europe PMC"} xref: PMID:20833537 {source="Europe PMC"} xref: Reaxys:506061 {source="Reaxys"} xref: Wikipedia:Butanal is_a: CHEBI:22939 ! butanals relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZTQSAGDEMFDKMZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.10572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)CCC" xsd:string [Term] id: CHEBI:15765 name: L-dopa namespace: chebi_ontology alt_id: CHEBI:11693 alt_id: CHEBI:13098 alt_id: CHEBI:1377 alt_id: CHEBI:19825 alt_id: CHEBI:41871 alt_id: CHEBI:49933 alt_id: CHEBI:75987 def: "An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease" [] subset: 3_STAR synonym: "(-)-3-(3,4-dihydroxyphenyl)-L-alanine" RELATED [ChemIDplus] synonym: "(-)-dopa" RELATED [ChemIDplus] synonym: "(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-Dihydroxy-L-phenylalanine" RELATED [KEGG_COMPOUND] synonym: "3,4-DIHYDROXYPHENYLALANINE" RELATED [PDBeChem] synonym: "3-Hydroxy-L-tyrosine" RELATED [KEGG_COMPOUND] synonym: "beta-(3,4-dihydroxyphenyl)-L-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "beta-(3,4-dihydroxyphenyl)alanine" RELATED [NIST_Chemistry_WebBook] synonym: "Dihydroxy-L-phenylalanine" RELATED [KEGG_COMPOUND] synonym: "Dopar" RELATED BRAND_NAME [KEGG_DRUG] synonym: "L-beta-(3,4-Dihydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "L-DOPA" EXACT [NIST_Chemistry_WebBook] synonym: "L-Dopa" EXACT [KEGG_COMPOUND] synonym: "L-dopa" EXACT IUPAC_NAME [IUPAC] synonym: "levodopa" RELATED INN [KEGG_DRUG] synonym: "levodopum" RELATED INN [ChemIDplus] xref: Beilstein:2215169 {source="Beilstein"} xref: Beilstein:6060047 {source="Beilstein"} xref: CAS:59-92-7 {source="NIST Chemistry WebBook"} xref: CAS:59-92-7 {source="ChemIDplus"} xref: CAS:59-92-7 {source="KEGG COMPOUND"} xref: COMe:MOL000169 xref: Drug_Central:1567 {source="DrugCentral"} xref: DrugBank:DB01235 xref: Gmelin:365846 {source="Gmelin"} xref: HMDB:HMDB0000181 xref: KEGG:C00355 xref: KEGG:D00059 xref: KNApSAcK:C00001357 xref: LINCS:LSM-5481 xref: MetaCyc:L-DIHYDROXY-PHENYLALANINE xref: PDBeChem:DAH_LFOH xref: PMID:18690870 {source="Europe PMC"} xref: PMID:22491024 {source="Europe PMC"} xref: PMID:22592937 {source="Europe PMC"} xref: PMID:23038403 {source="Europe PMC"} xref: PMID:23127496 {source="Europe PMC"} xref: PMID:23196068 {source="Europe PMC"} xref: PMID:23206800 {source="Europe PMC"} xref: PMID:23211937 {source="Europe PMC"} xref: PMID:23357114 {source="Europe PMC"} xref: PMID:23389842 {source="Europe PMC"} xref: PMID:23389938 {source="Europe PMC"} xref: PMID:23390548 {source="Europe PMC"} xref: PMID:29438107 {source="Europe PMC"} xref: PMID:8301021 {source="Europe PMC"} xref: Reaxys:2215169 {source="Reaxys"} xref: Wikipedia:L-DOPA xref: Wikipedia:Levodopa is_a: CHEBI:27177 ! L-tyrosine derivative is_a: CHEBI:49168 ! dopa is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid relationship: has_role CHEBI:35219 ! plant growth retardant relationship: has_role CHEBI:48407 ! antiparkinson drug relationship: has_role CHEBI:48560 ! dopaminergic agent relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:59174 ! hapten relationship: has_role CHEBI:62215 ! allelochemical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:67012 ! L-dopa(1-) relationship: is_enantiomer_of CHEBI:49169 ! D-dopa relationship: is_tautomer_of CHEBI:57504 ! L-dopa zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.18798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.06881" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O" xsd:string [Term] id: CHEBI:157668 name: carbocyclic fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion containing a ring composed of carbon atoms. Major microspecies at pH 7.3" [] subset: 2_STAR synonym: "carbocyclic fatty acid" RELATED [UniProt] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:35744 ! carbocyclic fatty acid [Term] id: CHEBI:15767 name: dichloromethane namespace: chebi_ontology alt_id: CHEBI:14139 alt_id: CHEBI:23701 alt_id: CHEBI:4504 def: "A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea." [] subset: 3_STAR synonym: "chlorure de methylene" RELATED [ChemIDplus] synonym: "DCM" RELATED [NIST_Chemistry_WebBook] synonym: "Dichlormethan" RELATED [ChEBI] synonym: "Dichloromethane" EXACT [KEGG_COMPOUND] synonym: "dichloromethane" EXACT IUPAC_NAME [IUPAC] synonym: "dichloromethane" EXACT [UniProt] synonym: "dichloromethane" EXACT [ChEBI] synonym: "methane dichloride" RELATED [NIST_Chemistry_WebBook] synonym: "Methylenchlorid" RELATED [ChEBI] synonym: "methylene bichloride" RELATED [NIST_Chemistry_WebBook] synonym: "Methylene chloride" RELATED [KEGG_COMPOUND] synonym: "Methylene dichloride" RELATED [KEGG_COMPOUND] xref: Beilstein:1730800 {source="Beilstein"} xref: CAS:75-09-2 {source="NIST Chemistry WebBook"} xref: CAS:75-09-2 {source="ChemIDplus"} xref: CAS:75-09-2 {source="KEGG COMPOUND"} xref: Gmelin:1302 {source="Gmelin"} xref: HMDB:HMDB0031548 xref: KEGG:C02271 xref: KEGG:D02330 xref: MetaCyc:CPD-681 xref: Patent:US2792435 xref: Patent:US2979541 xref: Patent:US3126419 xref: PMID:11884241 {source="Europe PMC"} xref: PMID:19091298 {source="Europe PMC"} xref: PMID:8465711 {source="Europe PMC"} xref: Reaxys:1730800 {source="Reaxys"} xref: UM-BBD_compID:c0233 {source="UM-BBD"} xref: Wikipedia:Dichloromethane is_a: CHEBI:23148 ! chloromethanes relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMWUJEATGCHHMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.93198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])(Cl)Cl" xsd:string [Term] id: CHEBI:157693 name: 3-(3,4-substituted-phenyl)-1,1-dimethylurea namespace: chebi_ontology def: "A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a phenyl group which carries two unspecified groups at positions 3 and 4 of the phenyl ring." [] subset: 3_STAR synonym: "3-(3,4-substituted-phenyl)-1,1-dimethylureas" RELATED [ChEBI] synonym: "a 1,1-dimethyl-3-phenylurea" RELATED [UniProt] synonym: "N'-(3,4-substituted-phenyl)-N,N-dimethylurea" RELATED [ChEBI] synonym: "N'-(3,4-substituted-phenyl)-N,N-dimethylureas" RELATED [ChEBI] xref: MetaCyc:11-Dimethyl-3-Phenylureas xref: PMID:24123738 {source="SUBMITTER"} is_a: CHEBI:134043 ! phenylureas property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10N2OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.07931" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)NC1=CC([*])=C([*])C=C1" xsd:string [Term] id: CHEBI:15773 name: cyclohexylamine namespace: chebi_ontology alt_id: CHEBI:14054 alt_id: CHEBI:23485 alt_id: CHEBI:4017 def: "A primary aliphatic amine consisting of cyclohexane carrying an amino substituent." [] subset: 3_STAR synonym: "Cyclohexanamine" RELATED [KEGG_COMPOUND] synonym: "cyclohexanamine" EXACT IUPAC_NAME [IUPAC] synonym: "Cyclohexylamine" EXACT [KEGG_COMPOUND] xref: CAS:108-91-8 {source="ChemIDplus"} xref: CAS:108-91-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031404 xref: KEGG:C00571 xref: MetaCyc:CPD-303 xref: PDBeChem:HAI xref: PMID:14726272 {source="Europe PMC"} xref: PMID:7766708 {source="Europe PMC"} xref: Reaxys:471175 {source="Reaxys"} xref: UM-BBD_compID:c0690 {source="UM-BBD"} xref: Wikipedia:Cyclohexylamine is_a: CHEBI:17062 ! primary aliphatic amine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:42939 ! cyclohexylammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAFZNILMFXTMIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "99.17416" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.10480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC1CCCCC1" xsd:string [Term] id: CHEBI:157770 name: short-chain primary fatty alcohol namespace: chebi_ontology def: "Any primary fatty alcohol with a chain length less than 6 carbons." [] subset: 2_STAR is_a: CHEBI:142622 ! primary fatty alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(O)*" xsd:string [Term] id: CHEBI:15778 name: N-acyl-D-amino acid namespace: chebi_ontology alt_id: CHEBI:12474 alt_id: CHEBI:21631 alt_id: CHEBI:7224 def: "Any N-acyl-amino acid in which the amino acid moiety has D configuration." [] subset: 3_STAR is_a: CHEBI:51569 ! N-acyl-amino acid is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: is_conjugate_acid_of CHEBI:59876 ! N-acyl-D-alpha-amino acid anion relationship: is_enantiomer_of CHEBI:21644 ! N-acyl-L-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:15792 name: malonate(2-) namespace: chebi_ontology alt_id: CHEBI:14563 alt_id: CHEBI:25130 alt_id: CHEBI:44151 def: "A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid." [] subset: 3_STAR synonym: "(-)OOC-CH2-COO(-)" RELATED [ChEBI] synonym: "malo" RELATED [IUPAC] synonym: "malonate" RELATED [UniProt] synonym: "MALONATE ION" RELATED [PDBeChem] synonym: "malonic acid, ion(2-)" RELATED [ChemIDplus] synonym: "propanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "propanedioic acid, ion(2-)" RELATED [ChemIDplus] xref: Beilstein:3904386 {source="Beilstein"} xref: CAS:156-80-9 {source="ChemIDplus"} xref: DrugBank:DB02201 xref: Gmelin:141932 {source="Gmelin"} xref: KEGG:C00383 xref: PDBeChem:MLI xref: Reaxys:3904386 {source="Reaxys"} is_a: CHEBI:133291 ! saturated dicarboxylic acid dianion(2-) relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30795 ! malonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFOBLEOULBTSOW-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.04558" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.99641" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CC([O-])=O" xsd:string [Term] id: CHEBI:15816 name: D-arginine namespace: chebi_ontology alt_id: CHEBI:12917 alt_id: CHEBI:20917 alt_id: CHEBI:4106 alt_id: CHEBI:41855 def: "A D-alpha-amino acid that is the D-isomer of arginine." [] subset: 3_STAR synonym: "(2R)-2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "(2R)-2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "(R)-2-amino-5-guanidinopentanoic acid" RELATED [ChEBI] synonym: "D-2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "D-Arginin" RELATED [ChEBI] synonym: "D-Arginine" EXACT [KEGG_COMPOUND] synonym: "D-arginine" EXACT IUPAC_NAME [IUPAC] synonym: "DAR" RELATED [PDBeChem] xref: Beilstein:1725412 {source="Beilstein"} xref: CAS:157-06-2 {source="NIST Chemistry WebBook"} xref: CAS:157-06-2 {source="ChemIDplus"} xref: CAS:157-06-2 {source="KEGG COMPOUND"} xref: DrugBank:DB04027 xref: Gmelin:364938 {source="Gmelin"} xref: HMDB:HMDB0003416 xref: KEGG:C00792 xref: MetaCyc:CPD-220 xref: PDBeChem:DAR xref: PMID:15540275 {source="Europe PMC"} xref: PMID:15723827 {source="Europe PMC"} xref: PMID:16912865 {source="Europe PMC"} xref: PMID:19651461 {source="Europe PMC"} xref: PMID:22518022 {source="Europe PMC"} xref: Reaxys:1725412 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:29016 ! arginine relationship: has_role CHEBI:65053 ! EC 4.1.1.19 (arginine decarboxylase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:32688 ! D-argininate relationship: is_conjugate_base_of CHEBI:32689 ! D-argininium(1+) relationship: is_enantiomer_of CHEBI:16467 ! L-arginine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.11168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCCNC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:15837 name: isoamylol namespace: chebi_ontology alt_id: CHEBI:11855 alt_id: CHEBI:1597 alt_id: CHEBI:20125 alt_id: CHEBI:43359 def: "An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group." [] subset: 3_STAR synonym: "1-HYDROXY-3-METHYLBUTANE" RELATED [PDBeChem] synonym: "2-methyl-4-butanol" RELATED [ChemIDplus] synonym: "3-methyl-1-butanol" RELATED [NIST_Chemistry_WebBook] synonym: "3-methylbutan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "3-Methylbutanol" RELATED [KEGG_COMPOUND] synonym: "3-methylbutanol" RELATED [UniProt] synonym: "alcool isoamylique" RELATED [ChemIDplus] synonym: "i-amyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Iso-amylalkohol" RELATED [ChemIDplus] synonym: "Isoamyl alcohol" RELATED [KEGG_COMPOUND] synonym: "isoamylol" EXACT [ChemIDplus] synonym: "isobutylcarbinol" RELATED [ChemIDplus] synonym: "isopentan-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "isopentanol" RELATED [ChemIDplus] synonym: "Isopentyl alcohol" RELATED [KEGG_COMPOUND] synonym: "Isopentylalkohol" RELATED [ChEBI] synonym: "primary isoamyl alcohol" RELATED [ChemIDplus] xref: Beilstein:1718835 {source="Beilstein"} xref: CAS:123-51-3 {source="NIST Chemistry WebBook"} xref: CAS:123-51-3 {source="ChemIDplus"} xref: CAS:123-51-3 {source="KEGG COMPOUND"} xref: DrugBank:DB02296 xref: Gmelin:49460 {source="Gmelin"} xref: HMDB:HMDB0006007 xref: KEGG:C07328 xref: PMID:23043843 {source="Europe PMC"} xref: PMID:23698045 {source="Europe PMC"} xref: PMID:24487533 {source="Europe PMC"} xref: PMID:24767042 {source="Europe PMC"} xref: PMID:24804072 {source="Europe PMC"} xref: PMID:24862930 {source="Europe PMC"} xref: Reaxys:1718835 {source="Reaxys"} xref: YMDB:YMDB00570 is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol relationship: has_parent_hydride CHEBI:30362 ! isopentane relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76206 ! xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHTQWCKDNZKARW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.14818" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCO" xsd:string [Term] id: CHEBI:15841 name: polypeptide namespace: chebi_ontology alt_id: CHEBI:14860 alt_id: CHEBI:8314 def: "A peptide containing ten or more amino acid residues." [] subset: 3_STAR synonym: "polipeptido" RELATED [ChEBI] synonym: "Polypeptid" RELATED [ChEBI] synonym: "Polypeptide" EXACT [KEGG_COMPOUND] synonym: "polypeptides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00403 is_a: CHEBI:16670 ! peptide is_a: CHEBI:33839 ! macromolecule property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2O3R2(C2H2NOR)n" xsd:string [Term] id: CHEBI:15843 name: arachidonic acid namespace: chebi_ontology alt_id: CHEBI:22608 alt_id: CHEBI:2799 alt_id: CHEBI:40501 def: "A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14." [] subset: 3_STAR synonym: "(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "AA" RELATED [ChEBI] synonym: "all-cis-5,8,11,14-eicosatetraenoic acid" RELATED [ChEBI] synonym: "ARA" RELATED [ChEBI] synonym: "Arachidonate" RELATED [KEGG_COMPOUND] synonym: "ARACHIDONIC ACID" EXACT [PDBeChem] synonym: "Arachidonic acid" EXACT [KEGG_COMPOUND] synonym: "Arachidonsaeure" RELATED [ChEBI] synonym: "cis-5,8,11,14-Eicosatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "cis-Delta(5,8,11,14)-eicosatetraenoic acid" RELATED [ChEBI] xref: Beilstein:1913991 {source="Beilstein"} xref: CAS:506-32-1 {source="KEGG COMPOUND"} xref: CAS:506-32-1 {source="ChemIDplus"} xref: CAS:506-32-1 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04557 xref: Gmelin:58972 {source="Gmelin"} xref: HMDB:HMDB0001043 xref: KEGG:C00219 xref: KNApSAcK:C00000388 xref: LIPID_MAPS_instance:LMFA01030001 {source="LIPID MAPS"} xref: MetaCyc:ARACHIDONIC_ACID xref: PDBeChem:ACD xref: PMID:15129302 {source="Europe PMC"} xref: PMID:18931599 {source="Europe PMC"} xref: PMID:18973997 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:2820055 {source="Europe PMC"} xref: Reaxys:1913991 {source="Reaxys"} xref: Wikipedia:Arachidonic_acid is_a: CHEBI:36009 ! omega-6 fatty acid is_a: CHEBI:36306 ! icosa-5,8,11,14-tetraenoic acid relationship: has_parent_hydride CHEBI:37834 ! (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite relationship: is_conjugate_acid_of CHEBI:32395 ! arachidonate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZXBAPSDXZZRGB-DOFZRALJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.46690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:15858 name: bromide namespace: chebi_ontology alt_id: CHEBI:13918 alt_id: CHEBI:3178 alt_id: CHEBI:49515 subset: 3_STAR synonym: "Br(-)" RELATED [IUPAC] synonym: "Br-" RELATED [KEGG_COMPOUND] synonym: "Bromide" EXACT [KEGG_COMPOUND] synonym: "bromide" EXACT [UniProt] synonym: "bromide" EXACT IUPAC_NAME [IUPAC] synonym: "BROMIDE ION" RELATED [PDBeChem] synonym: "bromide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "bromine anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3587179 {source="Beilstein"} xref: CAS:24959-67-9 {source="NIST Chemistry WebBook"} xref: CAS:24959-67-9 {source="ChemIDplus"} xref: CAS:24959-67-9 {source="KEGG COMPOUND"} xref: Gmelin:14908 {source="Gmelin"} xref: KEGG:C00720 xref: KEGG:C01324 xref: PDBeChem:BR is_a: CHEBI:16042 ! halide anion is_a: CHEBI:36896 ! monoatomic bromine relationship: is_conjugate_base_of CHEBI:47266 ! hydrogen bromide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CPELXLSAUQHCOX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.90400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91889" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br-]" xsd:string [Term] id: CHEBI:15862 name: ethylamine namespace: chebi_ontology alt_id: CHEBI:14228 alt_id: CHEBI:23998 alt_id: CHEBI:44361 alt_id: CHEBI:4897 def: "A two-carbon primary aliphatic amine." [] subset: 3_STAR synonym: "1-aminoethane" RELATED [NIST_Chemistry_WebBook] synonym: "aminoethane" RELATED [NIST_Chemistry_WebBook] synonym: "ETHANAMINE" RELATED [PDBeChem] synonym: "ethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "Ethylamine" EXACT [KEGG_COMPOUND] xref: Beilstein:505933 {source="Beilstein"} xref: CAS:75-04-7 {source="KEGG COMPOUND"} xref: CAS:75-04-7 {source="NIST Chemistry WebBook"} xref: CAS:75-04-7 {source="ChemIDplus"} xref: Gmelin:897 {source="Gmelin"} xref: HMDB:HMDB0013231 xref: KEGG:C00797 xref: MetaCyc:ETHANAMINE xref: PDBeChem:NEH xref: PMID:10930630 {source="Europe PMC"} xref: PMID:11074065 {source="Europe PMC"} xref: Reaxys:505933 {source="Reaxys"} xref: Wikipedia:Ethylamine is_a: CHEBI:17062 ! primary aliphatic amine relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:566789 ! ethylaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUSNBJAOOMFDIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.08370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN" xsd:string [Term] id: CHEBI:15882 name: phenol namespace: chebi_ontology alt_id: CHEBI:14777 alt_id: CHEBI:25966 alt_id: CHEBI:43543 alt_id: CHEBI:8071 def: "An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols." [] subset: 3_STAR synonym: "acide carbolique" RELATED [NIST_Chemistry_WebBook] synonym: "acide phenique" RELATED [ChEBI] synonym: "Benzenol" RELATED [KEGG_COMPOUND] synonym: "carbolic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Carbolsaeure" RELATED [ChEBI] synonym: "Hydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "Karbolsaeure" RELATED [ChEBI] synonym: "Oxybenzene" RELATED [HMDB] synonym: "Phenic acid" RELATED [HMDB] synonym: "Phenic acid" RELATED [KEGG_COMPOUND] synonym: "PHENOL" EXACT [PDBeChem] synonym: "Phenol" EXACT [KEGG_COMPOUND] synonym: "phenol" EXACT [UniProt] synonym: "phenol" EXACT [ChEBI] synonym: "phenol" EXACT IUPAC_NAME [IUPAC] synonym: "Phenylic acid" RELATED [KEGG_COMPOUND] synonym: "Phenylic alcohol" RELATED [HMDB] synonym: "PhOH" RELATED [ChemIDplus] xref: Beilstein:969616 {source="Beilstein"} xref: CAS:108-95-2 {source="NIST Chemistry WebBook"} xref: CAS:108-95-2 {source="ChemIDplus"} xref: CAS:108-95-2 {source="KEGG COMPOUND"} xref: Drug_Central:4266 {source="DrugCentral"} xref: DrugBank:DB03255 xref: Gmelin:2794 {source="Gmelin"} xref: HMDB:HMDB0000228 xref: KEGG:C00146 xref: KEGG:C15584 xref: KEGG:D00033 xref: KEGG:D06536 xref: KNApSAcK:C00002664 xref: PDBeChem:IPH xref: PMID:12058733 {source="Europe PMC"} xref: PMID:16953321 {source="Europe PMC"} xref: PMID:17852157 {source="Europe PMC"} xref: PMID:19029204 {source="Europe PMC"} xref: PMID:20886261 {source="Europe PMC"} xref: PMID:21492257 {source="Europe PMC"} xref: PMID:21689881 {source="Europe PMC"} xref: PMID:21809019 {source="Europe PMC"} xref: PMID:21822930 {source="Europe PMC"} xref: Reaxys:969616 {source="Reaxys"} xref: UM-BBD_compID:c0128 {source="UM-BBD"} xref: Wikipedia:Phenol is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:50526 ! phenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISWSIDIOOBJBQZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.11120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1" xsd:string [Term] id: CHEBI:15889 name: sterol namespace: chebi_ontology alt_id: CHEBI:13688 alt_id: CHEBI:15114 alt_id: CHEBI:26771 alt_id: CHEBI:9266 def: "Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain)." [] subset: 3_STAR synonym: "3-hydroxysteroids" RELATED [ChEBI] synonym: "a sterol" RELATED [UniProt] synonym: "Sterol" EXACT [KEGG_COMPOUND] synonym: "sterols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00370 xref: LIPID_MAPS_class:LMST01 {source="LIPID MAPS"} xref: MetaCyc:Sterols xref: Wikipedia:Sterol is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15903 name: beta-D-glucose namespace: chebi_ontology alt_id: CHEBI:10397 alt_id: CHEBI:12373 alt_id: CHEBI:22795 alt_id: CHEBI:41140 def: "D-Glucopyranose with beta configuration at the anomeric centre." [] subset: 3_STAR synonym: "beta-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "BETA-D-GLUCOSE" EXACT [PDBeChem] synonym: "beta-D-Glucose" EXACT [KEGG_COMPOUND] synonym: "beta-D-glucose" EXACT [UniProt] synonym: "WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/" RELATED [GlyTouCan] xref: Beilstein:1281607 {source="Beilstein"} xref: CAS:492-61-5 {source="NIST Chemistry WebBook"} xref: CAS:492-61-5 {source="ChemIDplus"} xref: CAS:492-61-5 {source="KEGG COMPOUND"} xref: Drug_Central:845 {source="DrugCentral"} xref: DrugBank:DB02379 xref: GlyGen:G71142DF xref: GlyTouCan:G71142DF xref: Gmelin:648637 {source="Gmelin"} xref: KEGG:C00221 xref: PDBeChem:BGC xref: PMID:19443021 {source="Europe PMC"} xref: PMID:25568069 {source="Europe PMC"} xref: PMID:31537530 {source="Europe PMC"} xref: PMID:32568414 {source="Europe PMC"} xref: Reaxys:1281607 {source="Reaxys"} is_a: CHEBI:4167 ! D-glucopyranose relationship: has_role CHEBI:53000 ! epitope relationship: is_enantiomer_of CHEBI:37631 ! beta-L-glucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQZGKKKJIJFFOK-VFUOTHLCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:15904 name: long-chain fatty acid namespace: chebi_ontology alt_id: CHEBI:13655 alt_id: CHEBI:14529 alt_id: CHEBI:25075 alt_id: CHEBI:6528 def: "A fatty acid with a chain length ranging from C13 to C22." [] subset: 3_STAR synonym: "Higher fatty acid" RELATED [KEGG_COMPOUND] synonym: "LCFA" RELATED [ChEBI] synonym: "LCFAs" RELATED [ChEBI] synonym: "Long-chain fatty acid" EXACT [KEGG_COMPOUND] synonym: "long-chain fatty acids" RELATED [ChEBI] xref: KEGG:C00638 is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:57560 ! long-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:15930 name: atrazine namespace: chebi_ontology alt_id: CHEBI:13865 alt_id: CHEBI:22672 alt_id: CHEBI:2916 alt_id: CHEBI:49479 def: "A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group." [] subset: 3_STAR synonym: "2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine" RELATED [IUBMB] synonym: "2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine" RELATED [ChemIDplus] synonym: "2-chloro-4-ethylamino-6-isopropylamino-s-triazine" RELATED [ChemIDplus] synonym: "2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE" RELATED [PDBeChem] synonym: "2-ethylamino-4-isopropylamino-6-chloro-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine" RELATED [IUPAC] synonym: "Atrazine" EXACT [KEGG_COMPOUND] synonym: "atrazine" EXACT [UniProt] xref: Beilstein:612020 {source="Beilstein"} xref: CAS:1912-24-9 {source="ChemIDplus"} xref: CAS:1912-24-9 {source="KEGG COMPOUND"} xref: CAS:1912-24-9 {source="NIST Chemistry WebBook"} xref: DrugBank:DB07392 xref: HMDB:HMDB0041830 xref: KEGG:C06551 xref: LINCS:LSM-18990 xref: MetaCyc:ATRAZINE xref: PDBeChem:ATZ xref: PMID:24211529 {source="Europe PMC"} xref: PMID:24239819 {source="Europe PMC"} xref: PMID:24246238 {source="Europe PMC"} xref: PPDB:43 xref: Reaxys:612020 {source="Reaxys"} xref: UM-BBD_compID:c0002 {source="UM-BBD"} xref: Wikipedia:Atrazine is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine relationship: has_functional_parent CHEBI:27726 ! 6-chloro-1,3,5-triazine-2,4-diamine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MXWJVTOOROXGIU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.68316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.09377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(NC(C)C)n1" xsd:string [Term] id: CHEBI:15940 name: nicotinic acid namespace: chebi_ontology alt_id: CHEBI:25538 alt_id: CHEBI:44319 alt_id: CHEBI:7559 def: "A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group." [] subset: 3_STAR synonym: "3-carboxylpyridine" RELATED [ChemIDplus] synonym: "3-carboxypyridine" RELATED [NIST_Chemistry_WebBook] synonym: "3-pyridinecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "3-Pyridylcarboxylic acid" RELATED [HMDB] synonym: "acide nicotinique" RELATED INN [WHO_MedNet] synonym: "acido nicotinico" RELATED INN [WHO_MedNet] synonym: "acidum nicotinicum" RELATED INN [WHO_MedNet] synonym: "anti-pellagra vitamin" RELATED [NIST_Chemistry_WebBook] synonym: "beta-pyridinecarboxylic acid" RELATED [ChEBI] synonym: "m-pyridinecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Niacin" RELATED [KEGG_COMPOUND] synonym: "niacin (b3)" RELATED [] synonym: "Niacor" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Niaspan" RELATED BRAND_NAME [KEGG_DRUG] synonym: "NICOTINIC ACID" EXACT [PDBeChem] synonym: "Nicotinic acid" EXACT [KEGG_COMPOUND] synonym: "nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "nicotinic acid" RELATED INN [WHO_MedNet] synonym: "Nicotinsaure" RELATED [ChemIDplus] synonym: "Nikotinsaeure" RELATED [ChEBI] synonym: "P.P. factor" RELATED [NIST_Chemistry_WebBook] synonym: "pellagra preventive factor" RELATED [NIST_Chemistry_WebBook] synonym: "PP factor" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pyridine-beta-carboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-carboxylique-3" RELATED [ChemIDplus] synonym: "vitamin B3" RELATED [ChEBI] xref: AGR:IND607088605 {source="Europe PMC"} xref: Beilstein:109591 {source="Beilstein"} xref: CAS:59-67-6 {source="KEGG COMPOUND"} xref: CAS:59-67-6 {source="ChemIDplus"} xref: CAS:59-67-6 {source="NIST Chemistry WebBook"} xref: Chemspider:913 xref: Drug_Central:2835 {source="DrugCentral"} xref: DrugBank:DB00627 xref: FooDB:FDB001014 xref: Gmelin:3340 {source="Gmelin"} xref: HMDB:HMDB0001488 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3757 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3772 xref: KEGG:C00253 xref: KEGG:D00049 xref: KNApSAcK:C00000208 xref: LINCS:LSM-4676 xref: MetaCyc:NIACINE xref: PDBeChem:NIO xref: PMID:10540864 {source="Europe PMC"} xref: PMID:113218 {source="Europe PMC"} xref: PMID:12563315 {source="Europe PMC"} xref: PMID:12789870 {source="Europe PMC"} xref: PMID:135660 {source="Europe PMC"} xref: PMID:14550884 {source="Europe PMC"} xref: PMID:15037193 {source="Europe PMC"} xref: PMID:15183629 {source="Europe PMC"} xref: PMID:15205990 {source="Europe PMC"} xref: PMID:15311728 {source="Europe PMC"} xref: PMID:15627518 {source="Europe PMC"} xref: PMID:15651982 {source="Europe PMC"} xref: PMID:16018787 {source="Europe PMC"} xref: PMID:16172771 {source="Europe PMC"} xref: PMID:16322787 {source="Europe PMC"} xref: PMID:16400392 {source="Europe PMC"} xref: PMID:16449845 {source="Europe PMC"} xref: PMID:16767301 {source="Europe PMC"} xref: PMID:16877271 {source="Europe PMC"} xref: PMID:16945375 {source="Europe PMC"} xref: PMID:18037924 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:186078 {source="Europe PMC"} xref: PMID:18993152 {source="Europe PMC"} xref: PMID:18996527 {source="Europe PMC"} xref: PMID:19369827 {source="Europe PMC"} xref: PMID:19592242 {source="Europe PMC"} xref: PMID:19678716 {source="Europe PMC"} xref: PMID:19779335 {source="Europe PMC"} xref: PMID:20979384 {source="Europe PMC"} xref: PMID:21632263 {source="Europe PMC"} xref: PMID:22116693 {source="Europe PMC"} xref: PMID:22155410 {source="Europe PMC"} xref: PMID:22229411 {source="Europe PMC"} xref: PMID:22366213 {source="Europe PMC"} xref: PMID:22458880 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24029555 {source="Europe PMC"} xref: PMID:24568240 {source="Europe PMC"} xref: PMID:24675661 {source="Europe PMC"} xref: PMID:24848081 {source="Europe PMC"} xref: PMID:24975217 {source="Europe PMC"} xref: PMID:25040591 {source="Europe PMC"} xref: PMID:25241762 {source="Europe PMC"} xref: PMID:25429652 {source="Europe PMC"} xref: PMID:32954525 {source="Europe PMC"} xref: PMID:33273654 {source="Europe PMC"} xref: PMID:33932650 {source="Europe PMC"} xref: PMID:34066686 {source="Europe PMC"} xref: PMID:34085526 {source="Europe PMC"} xref: PMID:34117670 {source="Europe PMC"} xref: PMID:4033386 {source="Europe PMC"} xref: PMID:4259917 {source="Europe PMC"} xref: PMID:582105 {source="Europe PMC"} xref: PMID:699281 {source="Europe PMC"} xref: PMID:7217784 {source="Europe PMC"} xref: PMID:7581845 {source="Europe PMC"} xref: PMID:8306147 {source="Europe PMC"} xref: PMID:8423912 {source="Europe PMC"} xref: PMID:8679452 {source="Europe PMC"} xref: PMID:9107536 {source="Europe PMC"} xref: Reaxys:109591 {source="Reaxys"} xref: Wikipedia:Niacin is_a: CHEBI:176839 ! vitamin B3 is_a: CHEBI:26416 ! pyridine alkaloid is_a: CHEBI:26420 ! pyridinemonocarboxylic acid relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35679 ! antilipemic drug relationship: has_role CHEBI:50247 ! antidote relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite relationship: has_role CHEBI:84264 ! EC 3.5.1.19 (nicotinamidase) inhibitor relationship: is_conjugate_acid_of CHEBI:32544 ! nicotinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.10944" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cccnc1" xsd:string property_value: IAO:0000118 "niacin" xsd:string property_value: IAO:0000118 "nicotinic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15948 name: lycopene namespace: chebi_ontology alt_id: CHEBI:14541 alt_id: CHEBI:26367 alt_id: CHEBI:43789 alt_id: CHEBI:6596 def: "An acyclic carotene commonly obtained from tomatoes and other red fruits." [] comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR synonym: "(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene" RELATED [] synonym: "all-trans-lycopene" RELATED [] synonym: "LYCOPENE" EXACT [] synonym: "Lycopene" EXACT [] synonym: "psi,psi-carotene" EXACT [] xref: Beilstein:1730097 xref: CAS:502-65-8 xref: Codex:\:160e xref: COMe:MOL000048 xref: Drug_Central:4617 xref: Europe:\:160d xref: HMDB:HMDB0003000 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3134 xref: KEGG:C05432 xref: KNApSAcK:C00000911 xref: LIPID_MAPS_instance:LMPR01070257 xref: MetaCyc:CPD1F-114 xref: PDBeChem:LYC xref: PMID:10443333 xref: PMID:10493308 xref: PMID:10620348 xref: PMID:10720168 xref: PMID:10837319 xref: PMID:11117277 xref: PMID:11137891 xref: PMID:12239422 xref: PMID:12726756 xref: PMID:12792623 xref: PMID:12910307 xref: PMID:13129444 xref: PMID:15054415 xref: PMID:15065899 xref: PMID:15341191 xref: PMID:1550343 xref: PMID:15830922 xref: PMID:16194683 xref: PMID:16549453 xref: PMID:24397737 xref: PMID:7616301 xref: PMID:9100211 xref: Reaxys:1730097 xref: Wikipedia:Lycopene is_a: CHEBI:35162 ! acyclic carotene property_value: hasSynonym "lycopenes" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAIJSZIZWZSQBC-GYZMGTAESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\C=C\\C(C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C=C\\C=C(/C)CCC=C(C)C" xsd:string property_value: IAO:0000118 "lycopene" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:15956 name: biotin namespace: chebi_ontology alt_id: CHEBI:13905 alt_id: CHEBI:22882 alt_id: CHEBI:22884 alt_id: CHEBI:3108 alt_id: CHEBI:41236 def: "An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins." [] subset: 3_STAR synonym: "(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid" RELATED [HMDB] synonym: "(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid" RELATED [HMDB] synonym: "5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid" RELATED [HMDB] synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "BIOTIN" EXACT [PDBeChem] synonym: "biotin" RELATED INN [WHO_MedNet] synonym: "biotina" RELATED INN [WHO_MedNet] synonym: "biotine" RELATED INN [WHO_MedNet] synonym: "biotinum" RELATED INN [WHO_MedNet] synonym: "cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid" RELATED [HMDB] synonym: "cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid" RELATED [HMDB] synonym: "cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid" RELATED [HMDB] synonym: "Coenzyme R" RELATED [KEGG_COMPOUND] synonym: "D-(+)-biotin" RELATED [NIST_Chemistry_WebBook] synonym: "D-Biotin" RELATED [KEGG_COMPOUND] synonym: "vitamin B7" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin H" RELATED [KEGG_COMPOUND] xref: Beilstein:86838 {source="Beilstein"} xref: CAS:58-85-5 {source="NIST Chemistry WebBook"} xref: CAS:58-85-5 {source="KEGG COMPOUND"} xref: CAS:58-85-5 {source="ChemIDplus"} xref: Chemspider:149962 xref: COMe:MOL000144 xref: Drug_Central:373 {source="DrugCentral"} xref: DrugBank:DB00121 xref: FooDB:FDB014510 xref: Gmelin:1918703 {source="Gmelin"} xref: HMDB:HMDB0000030 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3762 xref: KEGG:C00120 xref: KEGG:D00029 xref: KNApSAcK:C00000756 xref: LINCS:LSM-3994 xref: MetaCyc:BIOTIN xref: PDBeChem:BTN xref: PMCID:PMC8089577 {source="Europe PMC"} xref: PMID:10064317 {source="Europe PMC"} xref: PMID:10215065 {source="Europe PMC"} xref: PMID:10577274 {source="Europe PMC"} xref: PMID:11435506 {source="Europe PMC"} xref: PMID:11481419 {source="Europe PMC"} xref: PMID:11800048 {source="Europe PMC"} xref: PMID:12055344 {source="Europe PMC"} xref: PMID:12070309 {source="Europe PMC"} xref: PMID:12603856 {source="Europe PMC"} xref: PMID:12803839 {source="Europe PMC"} xref: PMID:15012185 {source="Europe PMC"} xref: PMID:15202718 {source="Europe PMC"} xref: PMID:15272000 {source="Europe PMC"} xref: PMID:15690449 {source="Europe PMC"} xref: PMID:15863846 {source="Europe PMC"} xref: PMID:15899401 {source="Europe PMC"} xref: PMID:15992684 {source="Europe PMC"} xref: PMID:16011464 {source="Europe PMC"} xref: PMID:16195795 {source="Europe PMC"} xref: PMID:16419467 {source="Europe PMC"} xref: PMID:16676358 {source="Europe PMC"} xref: PMID:16677798 {source="Europe PMC"} xref: PMID:16704206 {source="Europe PMC"} xref: PMID:16769720 {source="Europe PMC"} xref: PMID:17297119 {source="Europe PMC"} xref: PMID:1814646 {source="Europe PMC"} xref: PMID:18202531 {source="Europe PMC"} xref: PMID:18452485 {source="Europe PMC"} xref: PMID:18509457 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19319844 {source="Europe PMC"} xref: PMID:19727438 {source="Europe PMC"} xref: PMID:19928962 {source="Europe PMC"} xref: PMID:20967359 {source="Europe PMC"} xref: PMID:20974274 {source="Europe PMC"} xref: PMID:2100006 {source="Europe PMC"} xref: PMID:21248194 {source="Europe PMC"} xref: PMID:21356565 {source="Europe PMC"} xref: PMID:21373679 {source="Europe PMC"} xref: PMID:21596550 {source="Europe PMC"} xref: PMID:21871906 {source="Europe PMC"} xref: PMID:25515858 {source="Europe PMC"} xref: PMID:33346513 {source="Europe PMC"} xref: PMID:33461365 {source="Europe PMC"} xref: PMID:34077272 {source="Europe PMC"} xref: PMID:8333586 {source="Europe PMC"} xref: PMID:8750932 {source="Europe PMC"} xref: PMID:9022537 {source="Europe PMC"} xref: PMID:9038855 {source="Europe PMC"} xref: PMID:9094878 {source="Europe PMC"} xref: PMID:9164991 {source="Europe PMC"} xref: PMID:9176832 {source="Europe PMC"} xref: PMID:9371938 {source="Europe PMC"} xref: PMID:9416479 {source="Europe PMC"} xref: Reaxys:86838 {source="Reaxys"} xref: Wikipedia:Biotin is_a: CHEBI:176841 ! vitamin B7 is_a: CHEBI:51570 ! biotins relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:26348 ! prosthetic group relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:57586 ! biotinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.31172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.08816" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2" xsd:string property_value: IAO:0000118 "biotin" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:15964 name: cyclohexylsulfamic acid namespace: chebi_ontology alt_id: CHEBI:14055 alt_id: CHEBI:23486 alt_id: CHEBI:4018 def: "A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent." [] subset: 3_STAR synonym: "Cyclohexylamide sulfate" RELATED [KEGG_COMPOUND] synonym: "cyclohexylaminesulphonic acid" RELATED [ChEBI] synonym: "Cyclohexylsulfamate" RELATED [KEGG_COMPOUND] synonym: "Cyclohexylsulfamic acid" EXACT [KEGG_COMPOUND] synonym: "cyclohexylsulfamic acid" EXACT [UniProt] synonym: "cyclohexylsulfamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Cylamic acid" RELATED [KEGG_COMPOUND] xref: CAS:100-88-9 {source="KEGG COMPOUND"} xref: CAS:100-88-9 {source="ChemIDplus"} xref: CAS:100-88-9 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0031340 xref: KEGG:C02824 xref: KEGG:D02442 xref: PMID:23559823 {source="Europe PMC"} xref: PMID:4199201 {source="Europe PMC"} xref: PMID:973466 {source="Europe PMC"} xref: Reaxys:2208885 {source="Reaxys"} xref: UM-BBD_compID:c0689 {source="UM-BBD"} xref: Wikipedia:Cyclamic_acid is_a: CHEBI:35719 ! sulfamic acids relationship: has_functional_parent CHEBI:9330 ! sulfamic acid relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:57592 ! cyclohexylsulfamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCAJEUSONLESMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.23836" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.06161" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(=O)(=O)NC1CCCCC1" xsd:string [Term] id: CHEBI:15966 name: D-glutamic acid namespace: chebi_ontology alt_id: CHEBI:21023 alt_id: CHEBI:4183 def: "An optically active form of glutamic acid having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "D-2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "D-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutaminsaeure" RELATED [ChEBI] synonym: "DGL" RELATED [PDBeChem] synonym: "glutamic acid D-form" RELATED [ChemIDplus] xref: Beilstein:1723800 {source="Beilstein"} xref: CAS:6893-26-1 {source="NIST Chemistry WebBook"} xref: CAS:6893-26-1 {source="ChemIDplus"} xref: CAS:6893-26-1 {source="KEGG COMPOUND"} xref: DrugBank:DB02517 xref: Gmelin:201189 {source="Gmelin"} xref: HMDB:HMDB0003339 xref: KEGG:C00217 xref: KNApSAcK:C00019577 xref: MetaCyc:D-GLT xref: PDBeChem:DGL xref: Reaxys:1723800 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:18237 ! glutamic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:16015 ! L-glutamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:15986 name: polynucleotide namespace: chebi_ontology alt_id: CHEBI:13672 alt_id: CHEBI:14859 alt_id: CHEBI:8312 def: "A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues." [] subset: 3_STAR synonym: "Polynucleotide" EXACT [KEGG_COMPOUND] synonym: "polynucleotides" RELATED [ChEBI] xref: KEGG:C00419 is_a: CHEBI:33695 ! information biomacromolecule is_a: CHEBI:61120 ! nucleobase-containing molecular entity relationship: has_part CHEBI:50319 ! nucleotide residue property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8O6PR)n.C10H17O10PR2" xsd:string [Term] id: CHEBI:16000 name: ethanolamine namespace: chebi_ontology alt_id: CHEBI:14223 alt_id: CHEBI:23979 alt_id: CHEBI:272066 alt_id: CHEBI:42323 alt_id: CHEBI:4880 def: "A member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol." [] subset: 3_STAR synonym: "1-amino-2-hydroxyethane" RELATED [ChemIDplus] synonym: "2-amino-1-ethanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Amino-ethanol" RELATED [ChEMBL] synonym: "2-aminoethan-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "2-aminoethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-aminoethyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Hydroxyethylamine" RELATED [KEGG_COMPOUND] synonym: "Aethanolamin" RELATED [ChemIDplus] synonym: "Aminoethanol" RELATED [KEGG_COMPOUND] synonym: "beta-aminoethanol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-aminoethyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-ethanolamine" RELATED [NIST_Chemistry_WebBook] synonym: "beta-hydroxyethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "colamine" RELATED [ChemIDplus] synonym: "ETA" RELATED [ChEBI] synonym: "Ethanolamine" EXACT [KEGG_COMPOUND] synonym: "glycinol" RELATED [ChemIDplus] synonym: "Hea" RELATED [IUPAC] synonym: "MEA" RELATED [ChemIDplus] synonym: "MONOETHANOLAMINE" RELATED [ChEMBL] synonym: "monoethanolamine" RELATED [ChemIDplus] xref: Beilstein:505944 {source="Beilstein"} xref: CAS:141-43-5 {source="ChemIDplus"} xref: CAS:141-43-5 {source="NIST Chemistry WebBook"} xref: CAS:141-43-5 {source="KEGG COMPOUND"} xref: DrugBank:DB03994 xref: Gmelin:1650 {source="Gmelin"} xref: HMDB:HMDB0000149 xref: KEGG:C00189 xref: KEGG:D05074 xref: KNApSAcK:C00007279 xref: PDBeChem:ETA xref: PMID:10930630 {source="Europe PMC"} xref: PMID:12834252 {source="Europe PMC"} xref: PMID:15149650 {source="ChEMBL"} xref: PMID:24023812 {source="Europe PMC"} xref: PMID:3654008 {source="Europe PMC"} xref: PMID:6196640 {source="Europe PMC"} xref: PMID:6708049 {source="ChEMBL"} xref: Reaxys:505944 {source="Reaxys"} xref: UM-BBD_compID:c0594 {source="UM-BBD"} xref: Wikipedia:Ethanolamine is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:32877 ! primary amine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:57603 ! ethanolaminium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZAXFHJVJLSVMW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.08312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.05276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCO" xsd:string [Term] id: CHEBI:16004 name: (R)-lactate namespace: chebi_ontology alt_id: CHEBI:11001 alt_id: CHEBI:18684 def: "An optically active form of lactate having (R)-configuration." [] subset: 3_STAR synonym: "(2R)-2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-lactate" EXACT [UniProt] synonym: "D-2-hydroxypropanoate" RELATED [ChEBI] synonym: "D-2-hydroxypropionate" RELATED [ChEBI] synonym: "D-lactate" RELATED [ChEBI] xref: Beilstein:4655978 {source="Beilstein"} xref: Gmelin:362716 {source="Gmelin"} xref: KEGG:C00256 xref: MetaCyc:D-LACTATE xref: Reaxys:4655978 {source="Reaxys"} is_a: CHEBI:24996 ! lactate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:42111 ! (R)-lactic acid relationship: is_enantiomer_of CHEBI:16651 ! (S)-lactate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-UWTATZPHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](O)C([O-])=O" xsd:string [Term] id: CHEBI:16005 name: methylarsonate(2-) namespace: chebi_ontology alt_id: CHEBI:14596 alt_id: CHEBI:25277 subset: 3_STAR synonym: "[As(CH3)O3](2-)" RELATED [ChEBI] synonym: "MeAsO3(2-)" RELATED [ChEBI] synonym: "methylarsonate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:324080 {source="Gmelin"} xref: KEGG:C07294 xref: UM-BBD_compID:c0752 {source="UM-BBD"} is_a: CHEBI:50956 ! organoarsonic acid anion relationship: is_conjugate_base_of CHEBI:33409 ! methylarsonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3AsO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYPPRTNMGCREIM-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.95432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.93091" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As]([O-])([O-])=O" xsd:string [Term] id: CHEBI:16007 name: methanethiol namespace: chebi_ontology alt_id: CHEBI:14586 alt_id: CHEBI:25225 alt_id: CHEBI:6814 subset: 3_STAR synonym: "Methanethiol" EXACT [KEGG_COMPOUND] synonym: "methanethiol" EXACT [UniProt] synonym: "Methylmercaptan" RELATED [KEGG_COMPOUND] xref: CAS:74-93-1 {source="KEGG COMPOUND"} xref: KEGG:C00409 xref: KNApSAcK:C00001258 xref: PDBeChem:MEE xref: UM-BBD_compID:c0238 {source="UM-BBD"} is_a: CHEBI:47908 ! alkanethiol relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4S/c1-2/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSDPWZHWYPCBBB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "48.10846" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "48.00337" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS" xsd:string [Term] id: CHEBI:16015 name: L-glutamic acid namespace: chebi_ontology alt_id: CHEBI:21304 alt_id: CHEBI:42825 alt_id: CHEBI:6224 def: "An optically active form of glutamic acid having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "(S)-glutamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "acide glutamique" RELATED INN [ChEBI] synonym: "acido glutamico" RELATED INN [ChEBI] synonym: "acidum glutamicum" RELATED INN [ChEBI] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "GLUTAMIC ACID" RELATED [PDBeChem] synonym: "glutamic acid" RELATED INN [ChEBI] synonym: "L-Glu" RELATED [ChEBI] synonym: "L-Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "L-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "L-Glutaminsaeure" RELATED [ChEBI] xref: Beilstein:1723801 {source="Beilstein"} xref: BPDB:2297 xref: CAS:56-86-0 {source="NIST Chemistry WebBook"} xref: CAS:56-86-0 {source="ChemIDplus"} xref: CAS:56-86-0 {source="KEGG COMPOUND"} xref: Drug_Central:1310 {source="DrugCentral"} xref: DrugBank:DB00142 xref: Gmelin:3502 {source="Gmelin"} xref: HMDB:HMDB0000148 xref: KEGG:C00025 xref: KEGG:D00007 xref: KNApSAcK:C00001358 xref: LINCS:LSM-36375 xref: MetaCyc:GLT xref: PDBeChem:GLU_LFOH xref: PMID:15739367 {source="Europe PMC"} xref: PMID:15930465 {source="Europe PMC"} xref: PMID:16719819 {source="Europe PMC"} xref: PMID:16892196 {source="Europe PMC"} xref: PMID:19581495 {source="Europe PMC"} xref: PMID:22219301 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:1723801 {source="Reaxys"} xref: Wikipedia:L-Glutamic_Acid is_a: CHEBI:18237 ! glutamic acid is_a: CHEBI:24318 ! glutamine family amino acid relationship: has_role CHEBI:173085 ! ferroptosis inducer relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29985 ! L-glutamate(1-) relationship: is_enantiomer_of CHEBI:15966 ! D-glutamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:160246 name: aminophenazone namespace: chebi_ontology def: "A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties." [] subset: 3_STAR synonym: "(Dimethylamino)phenazone" RELATED [NIST_Chemistry_WebBook] synonym: "1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone" RELATED [ChemIDplus] synonym: "1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone" RELATED [NIST_Chemistry_WebBook] synonym: "1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one" RELATED [ChemIDplus] synonym: "2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone" RELATED [ChemIDplus] synonym: "3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole" RELATED [ChemIDplus] synonym: "4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one" RELATED [ChemIDplus] synonym: "4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" RELATED [NIST_Chemistry_WebBook] synonym: "4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-(Dimethylamino)antipyrine" RELATED [ChemIDplus] synonym: "4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone" RELATED [ChemIDplus] synonym: "4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one" RELATED [ChemIDplus] synonym: "4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone" RELATED [ChemIDplus] synonym: "4-Dimethylaminoantipyrine" RELATED [KEGG_COMPOUND] synonym: "4-Dimethylaminophenazone" RELATED [ChemIDplus] synonym: "aminofenazona" RELATED INN [ChemIDplus] synonym: "Aminofenazone" RELATED [ChemIDplus] synonym: "Aminophenazon" RELATED [ChEBI] synonym: "aminophenazone" RELATED INN [KEGG_DRUG] synonym: "aminophenazonum" RELATED INN [ChemIDplus] synonym: "Aminopyrine" RELATED [KEGG_DRUG] synonym: "Dimethylaminoantipyrine" RELATED [ChemIDplus] synonym: "Dimethylaminoazophene" RELATED [ChemIDplus] synonym: "Dimethylaminophenazon" RELATED [ChemIDplus] synonym: "Dimethylaminophenazone" RELATED [ChemIDplus] synonym: "Dimethylaminophenyldimethylpyrazolone" RELATED [ChemIDplus] synonym: "Dipyrine" RELATED [DrugBank] xref: Beilstein:222626 {source="Beilstein"} xref: CAS:58-15-1 {source="KEGG DRUG"} xref: CAS:58-15-1 {source="KEGG COMPOUND"} xref: CAS:58-15-1 {source="ChemIDplus"} xref: CAS:58-15-1 {source="NIST Chemistry WebBook"} xref: CAS:58-15-1 {source="DrugBank"} xref: Drug_Central:171 {source="DrugCentral"} xref: DrugBank:DB01424 xref: Gmelin:103164 {source="Gmelin"} xref: HMDB:HMDB0015493 xref: KEGG:C07539 xref: KEGG:D00556 xref: LINCS:LSM-20000 xref: PMID:23603897 {source="Europe PMC"} xref: PMID:23727364 {source="Europe PMC"} xref: PMID:24428683 {source="Europe PMC"} xref: Reaxys:222626 {source="Reaxys"} xref: Wikipedia:Aminophenazone is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:83328 ! pyrazolone relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H17N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMMXTBMQSGEXHJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "231.29360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.13716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O" xsd:string [Term] id: CHEBI:16037 name: 2-nitropropane namespace: chebi_ontology alt_id: CHEBI:11632 alt_id: CHEBI:1226 alt_id: CHEBI:19727 alt_id: CHEBI:44443 def: "A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120degreeC)." [] subset: 3_STAR synonym: "2-Nitropropane" EXACT [KEGG_COMPOUND] synonym: "2-nitropropane" EXACT IUPAC_NAME [IUPAC] synonym: "dimethylnitromethane" RELATED [NIST_Chemistry_WebBook] synonym: "i-C3H7NO2" RELATED [NIST_Chemistry_WebBook] synonym: "isonitropropane" RELATED [NIST_Chemistry_WebBook] synonym: "sec-nitropropane" RELATED [NIST_Chemistry_WebBook] xref: CAS:79-46-9 {source="KEGG COMPOUND"} xref: CAS:79-46-9 {source="NIST Chemistry WebBook"} xref: KEGG:C02116 xref: MetaCyc:CPD-244 xref: PDBeChem:NIS xref: PMID:1934149 {source="Europe PMC"} xref: PMID:21860502 {source="Europe PMC"} xref: PMID:22319232 {source="Europe PMC"} xref: PMID:25892624 {source="Europe PMC"} xref: Reaxys:1740684 {source="Reaxys"} xref: UM-BBD_compID:c0555 {source="UM-BBD"} xref: Wikipedia:2-Nitropropane is_a: CHEBI:139218 ! secondary nitroalkane relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FGLBSLMDCBOPQK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[N+]([O-])=O" xsd:string [Term] id: CHEBI:16040 name: cytosine namespace: chebi_ontology alt_id: CHEBI:14066 alt_id: CHEBI:23531 alt_id: CHEBI:4072 alt_id: CHEBI:41732 def: "An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4." [] subset: 3_STAR synonym: "4-amino-2(1H)-pyrimidinone" RELATED [NIST_Chemistry_WebBook] synonym: "4-amino-2-hydroxypyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "4-aminopyrimidin-2(1H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "Cyt" RELATED [CBN] synonym: "Cytosin" RELATED [ChEBI] synonym: "Cytosine" EXACT [KEGG_COMPOUND] synonym: "cytosine" EXACT [UniProt] synonym: "Zytosin" RELATED [ChEBI] xref: Beilstein:2637 {source="Beilstein"} xref: CAS:71-30-7 {source="KEGG COMPOUND"} xref: CAS:71-30-7 {source="NIST Chemistry WebBook"} xref: CAS:71-30-7 {source="ChemIDplus"} xref: Gmelin:82472 {source="Gmelin"} xref: HMDB:HMDB0000630 xref: KEGG:C00380 xref: KNApSAcK:C00001498 xref: MetaCyc:CYTOSINE xref: PDBeChem:CYT xref: PMID:14253484 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:7877593 {source="Europe PMC"} xref: Reaxys:2637 {source="Reaxys"} xref: Wikipedia:Cytosine is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone is_a: CHEBI:38338 ! aminopyrimidine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OPTASPLRGRRNAP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "111.10212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.04326" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1cc[nH]c(=O)n1" xsd:string [Term] id: CHEBI:16042 name: halide anion namespace: chebi_ontology alt_id: CHEBI:14384 alt_id: CHEBI:5605 def: "A monoatomic monoanion resulting from the addition of an electron to any halogen atom." [] subset: 3_STAR synonym: "a halide anion" RELATED [UniProt] synonym: "Halide" RELATED [KEGG_COMPOUND] synonym: "halide anions" RELATED [ChEBI] synonym: "halide ions" EXACT IUPAC_NAME [IUPAC] synonym: "halide(1-)" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] synonym: "halogen anion" RELATED [ChEBI] synonym: "HX" RELATED [KEGG_COMPOUND] xref: KEGG:C00462 is_a: CHEBI:33429 ! monoatomic monoanion is_a: CHEBI:79389 ! monovalent inorganic anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "X" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:16052 name: propene namespace: chebi_ontology alt_id: CHEBI:14906 alt_id: CHEBI:26309 alt_id: CHEBI:8486 def: "An alkene that is propane with a double bond at position 1." [] subset: 3_STAR synonym: "1-propene" RELATED [NIST_Chemistry_WebBook] synonym: "1-propylene" RELATED [NIST_Chemistry_WebBook] synonym: "CH2=CH-CH3" RELATED [IUPAC] synonym: "methylethene" RELATED [NIST_Chemistry_WebBook] synonym: "methylethylene" RELATED [NIST_Chemistry_WebBook] synonym: "prop-1-ene" EXACT IUPAC_NAME [IUPAC] synonym: "Propene" EXACT [KEGG_COMPOUND] synonym: "propene" EXACT [UniProt] synonym: "propylene" RELATED [NIST_Chemistry_WebBook] synonym: "R-1270" RELATED [ChEBI] xref: Beilstein:1696878 {source="Beilstein"} xref: CAS:115-07-1 {source="KEGG COMPOUND"} xref: CAS:115-07-1 {source="NIST Chemistry WebBook"} xref: CAS:115-07-1 {source="ChemIDplus"} xref: Gmelin:852 {source="Gmelin"} xref: KEGG:C11505 xref: MetaCyc:PROPENE xref: PMID:24242248 {source="Europe PMC"} xref: PMID:24504669 {source="Europe PMC"} xref: Reaxys:1696878 {source="Reaxys"} xref: UM-BBD_compID:c0067 {source="UM-BBD"} xref: Wikipedia:Propene is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:32878 ! alkene relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQONPFPTGQHPMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.07974" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC=C" xsd:string [Term] id: CHEBI:16066 name: 11-cis-retinal namespace: chebi_ontology alt_id: CHEBI:11311 alt_id: CHEBI:19119 alt_id: CHEBI:727 def: "A retinal having 2E,4Z,6E,8E-double bond geometry." [] subset: 3_STAR synonym: "(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal" RELATED [IUPAC] synonym: "11-cis-Retinal" EXACT [KEGG_COMPOUND] synonym: "11-cis-retinal" EXACT IUPAC_NAME [IUPAC] synonym: "11-cis-retinal" EXACT [ChEBI] synonym: "11-cis-retinal" EXACT [UniProt] synonym: "11-cis-Retinene" RELATED [KEGG_COMPOUND] synonym: "11-cis-retinene" RELATED [ChEBI] synonym: "11-cis-Vitamin A aldehyde" RELATED [KEGG_COMPOUND] synonym: "11-cis-vitamin A aldehyde" RELATED [ChEBI] xref: CAS:564-87-4 {source="HMDB"} xref: HMDB:HMDB0002152 xref: KEGG:C02110 xref: LIPID_MAPS_instance:LMPR01090003 {source="LIPID MAPS"} xref: MetaCyc:CPD-881 xref: PMID:10655150 {source="Europe PMC"} xref: PMID:11161734 {source="Europe PMC"} xref: PMID:11390257 {source="Europe PMC"} xref: PMID:16026160 {source="Europe PMC"} xref: PMID:17003450 {source="Europe PMC"} xref: PMID:18370404 {source="Europe PMC"} xref: PMID:18563917 {source="Europe PMC"} xref: PMID:18606814 {source="Europe PMC"} xref: PMID:19339306 {source="Europe PMC"} xref: PMID:19830653 {source="Europe PMC"} xref: PMID:2440575 {source="Europe PMC"} xref: Reaxys:1914181 {source="Reaxys"} is_a: CHEBI:15035 ! retinal relationship: has_role CHEBI:23240 ! chromophore relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCYCYZXNIZJOKI-IOUUIBBYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.43570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.21402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(/C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C\\C=O" xsd:string [Term] id: CHEBI:16101 name: ethylbenzene namespace: chebi_ontology alt_id: CHEBI:14229 alt_id: CHEBI:23999 alt_id: CHEBI:45136 alt_id: CHEBI:4898 def: "An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum." [] subset: 3_STAR synonym: "Aethylbenzol" RELATED [ChEBI] synonym: "alpha-methyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylbenzene" EXACT [KEGG_COMPOUND] synonym: "ethylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "ethylbenzene" EXACT [UniProt] synonym: "Ethylbenzol" RELATED [KEGG_COMPOUND] synonym: "Ethylenzene" RELATED [KEGG_COMPOUND] synonym: "PHENYLETHANE" RELATED [PDBeChem] synonym: "Phenylethane" RELATED [KEGG_COMPOUND] xref: Beilstein:1901871 {source="Beilstein"} xref: CAS:100-41-4 {source="NIST Chemistry WebBook"} xref: CAS:100-41-4 {source="KEGG COMPOUND"} xref: DrugBank:DB01722 xref: Gmelin:2990 {source="Gmelin"} xref: HMDB:HMDB0059905 xref: KEGG:C07111 xref: MetaCyc:ETHYLBENZENE xref: Reaxys:1901871 {source="Reaxys"} xref: UM-BBD_compID:c0116 {source="UM-BBD"} xref: Wikipedia:Ethylbenzene is_a: CHEBI:38976 ! alkylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNQLUTRBYVCPMQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.16500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1ccccc1" xsd:string [Term] id: CHEBI:16113 name: cholesterol namespace: chebi_ontology alt_id: CHEBI:13982 alt_id: CHEBI:23204 alt_id: CHEBI:3659 alt_id: CHEBI:41564 def: "A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group." [] subset: 3_STAR synonym: "(3beta,14beta,17alpha)-cholest-5-en-3-ol" RELATED [IUPAC] synonym: "Cholest-5-en-3beta-ol" RELATED [KEGG_COMPOUND] synonym: "cholest-5-en-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Cholesterin" RELATED [NIST_Chemistry_WebBook] synonym: "CHOLESTEROL" EXACT [PDBeChem] synonym: "Cholesterol" EXACT [KEGG_COMPOUND] synonym: "cholesterol" EXACT [UniProt] xref: Beilstein:2060565 {source="Beilstein"} xref: CAS:57-88-5 {source="KEGG COMPOUND"} xref: CAS:57-88-5 {source="NIST Chemistry WebBook"} xref: CAS:57-88-5 {source="ChemIDplus"} xref: DrugBank:DB04540 xref: Gmelin:550297 {source="Gmelin"} xref: HMDB:HMDB0000067 xref: KEGG:C00187 xref: KEGG:D00040 xref: KNApSAcK:C00003648 xref: LIPID_MAPS_instance:LMST01010001 {source="LIPID MAPS"} xref: MetaCyc:CHOLESTEROL xref: PDBeChem:CLR xref: PMID:10901445 {source="Europe PMC"} xref: PMID:11412894 {source="Europe PMC"} xref: PMID:16341241 {source="Europe PMC"} xref: PMID:24287311 {source="Europe PMC"} xref: PMID:25308664 {source="Europe PMC"} xref: PMID:25451949 {source="Europe PMC"} xref: PMID:25522988 {source="Europe PMC"} xref: PMID:25658343 {source="Europe PMC"} xref: PMID:25977713 {source="Europe PMC"} xref: PMID:4696527 {source="Europe PMC"} xref: PMID:8838010 {source="Europe PMC"} xref: Reaxys:2060565 {source="Reaxys"} xref: Wikipedia:Cholesterol is_a: CHEBI:131619 ! C27-steroid is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid is_a: CHEBI:35348 ! 3beta-sterol is_a: CHEBI:50401 ! cholestanoid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVYWMOMLDIMFJA-DPAQBDIFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "386.655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "386.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16130 name: DDT namespace: chebi_ontology alt_id: CHEBI:11129 alt_id: CHEBI:18849 alt_id: CHEBI:472 def: "A chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide." [] subset: 3_STAR synonym: "1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]" RELATED [UM-BBD] synonym: "1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane" RELATED [KEGG_COMPOUND] synonym: "1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane" RELATED [UniProt] synonym: "1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane" RELATED [KEGG_COMPOUND] synonym: "1,1-bis(4-chlorophenyl)-2,2,2-trichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-DDT" RELATED [ChemIDplus] synonym: "alpha,alpha-bis(p-chlorophenyl)-beta,beta,beta-trichlorethane" RELATED [NIST_Chemistry_WebBook] synonym: "Clofenotane" RELATED [KEGG_COMPOUND] synonym: "clofenotane" RELATED [ChemIDplus] synonym: "DDT" EXACT [KEGG_COMPOUND] synonym: "Dichlorodiphenyltrichloroethane" RELATED [KEGG_COMPOUND] synonym: "dichlorodiphenyltrichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "p,p'-DDT" RELATED [ChemIDplus] synonym: "p,p'-dichlorodiphenyltrichloroethane" RELATED [ChemIDplus] xref: Beilstein:1882657 {source="ChemIDplus"} xref: CAS:50-29-3 {source="KEGG COMPOUND"} xref: CAS:50-29-3 {source="NIST Chemistry WebBook"} xref: CAS:50-29-3 {source="ChemIDplus"} xref: Drug_Central:4396 {source="DrugCentral"} xref: Gmelin:509864 {source="Gmelin"} xref: HMDB:HMDB0032127 xref: KEGG:C04623 xref: KEGG:D07367 xref: LINCS:LSM-19015 xref: MetaCyc:CPD-43 xref: PMID:17949680 {source="Europe PMC"} xref: PMID:24328540 {source="Europe PMC"} xref: PPDB:3140 xref: Reaxys:1882657 {source="Reaxys"} xref: UM-BBD_compID:c0384 {source="UM-BBD"} xref: Wikipedia:DDT is_a: CHEBI:23154 ! chlorophenylethane is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:28763 ! 4,4'-dichlorodiphenylmethane relationship: has_functional_parent CHEBI:39161 ! 1,1,1-trichloro-2,2-diphenylethane relationship: has_role CHEBI:138015 ! endocrine disruptor relationship: has_role CHEBI:39412 ! bridged diphenyl acaricide relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H9Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVGGHNCTFXOJCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "354.48476" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "351.91469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:16134 name: ammonia namespace: chebi_ontology alt_id: CHEBI:13405 alt_id: CHEBI:13406 alt_id: CHEBI:13407 alt_id: CHEBI:13771 alt_id: CHEBI:22533 alt_id: CHEBI:44269 alt_id: CHEBI:44284 alt_id: CHEBI:44404 alt_id: CHEBI:7434 def: "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." [] subset: 3_STAR synonym: "[NH3]" RELATED [MolBase] synonym: "AMMONIA" EXACT [PDBeChem] synonym: "Ammonia" EXACT [KEGG_COMPOUND] synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] synonym: "ammoniac" RELATED [ChEBI] synonym: "Ammoniak" RELATED [ChemIDplus] synonym: "amoniaco" RELATED [ChEBI] synonym: "azane" EXACT IUPAC_NAME [IUPAC] synonym: "NH3" RELATED [IUPAC] synonym: "NH3" RELATED [KEGG_COMPOUND] synonym: "NH3" RELATED [UniProt] synonym: "R-717" RELATED [ChEBI] synonym: "spirit of hartshorn" RELATED [ChemIDplus] xref: Beilstein:3587154 "Beilstein" xref: Beilstein:3587154 {source="Beilstein"} xref: CAS:7664-41-7 "NIST Chemistry WebBook" xref: CAS:7664-41-7 {source="ChemIDplus"} xref: CAS:7664-41-7 {source="KEGG COMPOUND"} xref: CAS:7664-41-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:4625 "DrugCentral" xref: Drug_Central:4625 {source="DrugCentral"} xref: Gmelin:79 "Gmelin" xref: Gmelin:79 {source="Gmelin"} xref: HMDB:HMDB0000051 xref: KEGG:C00014 xref: KEGG:D02916 xref: KNApSAcK:C00007267 xref: MetaCyc:AMMONIA xref: MolBase:930 xref: PDBeChem:NH3 xref: PMID:110589 "Europe PMC" xref: PMID:110589 {source="Europe PMC"} xref: PMID:11139349 "Europe PMC" xref: PMID:11139349 {source="Europe PMC"} xref: PMID:11540049 "Europe PMC" xref: PMID:11540049 {source="Europe PMC"} xref: PMID:11746427 "Europe PMC" xref: PMID:11746427 {source="Europe PMC"} xref: PMID:11783653 "Europe PMC" xref: PMID:11783653 {source="Europe PMC"} xref: PMID:13753780 "Europe PMC" xref: PMID:13753780 {source="Europe PMC"} xref: PMID:14663195 "Europe PMC" xref: PMID:14663195 {source="Europe PMC"} xref: PMID:15092448 "Europe PMC" xref: PMID:15092448 {source="Europe PMC"} xref: PMID:15094021 "Europe PMC" xref: PMID:15094021 {source="Europe PMC"} xref: PMID:15554424 "Europe PMC" xref: PMID:15554424 {source="Europe PMC"} xref: PMID:15969015 "Europe PMC" xref: PMID:15969015 {source="Europe PMC"} xref: PMID:16008360 "Europe PMC" xref: PMID:16008360 {source="Europe PMC"} xref: PMID:16050680 "Europe PMC" xref: PMID:16050680 {source="Europe PMC"} xref: PMID:16348008 "Europe PMC" xref: PMID:16348008 {source="Europe PMC"} xref: PMID:16349403 "Europe PMC" xref: PMID:16349403 {source="Europe PMC"} xref: PMID:16614889 "Europe PMC" xref: PMID:16614889 {source="Europe PMC"} xref: PMID:16664306 "Europe PMC" xref: PMID:16664306 {source="Europe PMC"} xref: PMID:16842901 "Europe PMC" xref: PMID:16842901 {source="Europe PMC"} xref: PMID:17025297 "Europe PMC" xref: PMID:17025297 {source="Europe PMC"} xref: PMID:17439666 "Europe PMC" xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17569513 "Europe PMC" xref: PMID:17569513 {source="Europe PMC"} xref: PMID:17737668 "Europe PMC" xref: PMID:17737668 {source="Europe PMC"} xref: PMID:18670398 "Europe PMC" xref: PMID:18670398 {source="Europe PMC"} xref: PMID:22002069 "Europe PMC" xref: PMID:22002069 {source="Europe PMC"} xref: PMID:22081570 "Europe PMC" xref: PMID:22081570 {source="Europe PMC"} xref: PMID:22088435 "Europe PMC" xref: PMID:22088435 {source="Europe PMC"} xref: PMID:22100291 "Europe PMC" xref: PMID:22100291 {source="Europe PMC"} xref: PMID:22130175 "Europe PMC" xref: PMID:22130175 {source="Europe PMC"} xref: PMID:22150211 "Europe PMC" xref: PMID:22150211 {source="Europe PMC"} xref: PMID:22240068 "Europe PMC" xref: PMID:22240068 {source="Europe PMC"} xref: PMID:22290316 "Europe PMC" xref: PMID:22290316 {source="Europe PMC"} xref: PMID:22342082 "Europe PMC" xref: PMID:22342082 {source="Europe PMC"} xref: PMID:22385337 "Europe PMC" xref: PMID:22385337 {source="Europe PMC"} xref: PMID:22443779 "Europe PMC" xref: PMID:22443779 {source="Europe PMC"} xref: PMID:22560242 "Europe PMC" xref: PMID:22560242 {source="Europe PMC"} xref: Reaxys:3587154 {source="Reaxys"} xref: Reaxys:3587154 "Reaxys" xref: Wikipedia:Ammonia is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:35107 ! azane is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:59740 ! nucleophilic reagent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor relationship: has_role CHEBI:78433 ! refrigerant relationship: is_conjugate_acid_of CHEBI:29337 ! azanide relationship: is_conjugate_base_of CHEBI:28938 ! ammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.03056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[H]" xsd:string [Term] id: CHEBI:16136 name: hydrogen sulfide namespace: chebi_ontology alt_id: CHEBI:13356 alt_id: CHEBI:14414 alt_id: CHEBI:24639 alt_id: CHEBI:43058 alt_id: CHEBI:45489 alt_id: CHEBI:5787 def: "A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen." [] subset: 3_STAR synonym: "[SH2]" RELATED [MolBase] synonym: "acide sulfhydrique" RELATED [ChemIDplus] synonym: "dihydridosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen monosulfide" RELATED [NIST_Chemistry_WebBook] synonym: "dihydrogen sulfide" RELATED [NIST_Chemistry_WebBook] synonym: "dihydrogen(sulfide)" EXACT IUPAC_NAME [IUPAC] synonym: "H2S" RELATED [IUPAC] synonym: "H2S" RELATED [KEGG_COMPOUND] synonym: "hydrogen monosulfide" RELATED [NIST_Chemistry_WebBook] synonym: "Hydrogen sulfide" EXACT [KEGG_COMPOUND] synonym: "hydrogen sulfide" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen sulphide" RELATED [ChemIDplus] synonym: "Hydrogen-sulfide" RELATED [KEGG_COMPOUND] synonym: "hydrogene sulfure" RELATED [ChemIDplus] synonym: "HYDROSULFURIC ACID" RELATED [PDBeChem] synonym: "Schwefelwasserstoff" RELATED [ChemIDplus] synonym: "sulfane" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfide" RELATED [KEGG_COMPOUND] synonym: "sulfure d'hydrogene" RELATED [ChEBI] xref: Beilstein:3535004 {source="Beilstein"} xref: CAS:7783-06-4 {source="NIST Chemistry WebBook"} xref: CAS:7783-06-4 {source="ChemIDplus"} xref: CAS:7783-06-4 {source="KEGG COMPOUND"} xref: Drug_Central:4260 {source="DrugCentral"} xref: Gmelin:303 {source="Gmelin"} xref: KEGG:C00283 xref: KNApSAcK:C00007266 xref: MolBase:1709 xref: PDBeChem:H2S xref: PMID:11788560 {source="Europe PMC"} xref: PMID:14654297 {source="Europe PMC"} xref: PMID:15003943 {source="Europe PMC"} xref: PMID:15607739 {source="Europe PMC"} xref: PMID:16446402 {source="Europe PMC"} xref: PMID:18098324 {source="Europe PMC"} xref: PMID:18524810 {source="Europe PMC"} xref: PMID:18948540 {source="Europe PMC"} xref: PMID:19695225 {source="Europe PMC"} xref: PMID:22004989 {source="Europe PMC"} xref: PMID:22378060 {source="Europe PMC"} xref: PMID:22448627 {source="Europe PMC"} xref: PMID:22473176 {source="Europe PMC"} xref: PMID:22486842 {source="Europe PMC"} xref: PMID:22520971 {source="Europe PMC"} xref: PMID:22787557 {source="Europe PMC"} xref: UM-BBD_compID:c0239 {source="UM-BBD"} xref: Wikipedia:Hydrogen_sulfide is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:33405 ! hydracid is_a: CHEBI:33535 ! sulfur hydride is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29919 ! hydrosulfide relationship: is_conjugate_base_of CHEBI:30488 ! sulfonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2S/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSOTUBLDIXVET-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "34.08188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "33.98772" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S[H]" xsd:string [Term] id: CHEBI:16150 name: benzoate namespace: chebi_ontology alt_id: CHEBI:13879 alt_id: CHEBI:22717 def: "The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1." [] subset: 3_STAR synonym: "Benzenecarboxylate" RELATED [HMDB] synonym: "Benzeneformate" RELATED [HMDB] synonym: "Benzenemethanoate" RELATED [HMDB] synonym: "benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "benzoate" EXACT [UniProt] synonym: "benzoate anion" RELATED [NIST_Chemistry_WebBook] synonym: "benzoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Phenylcarboxylate" RELATED [HMDB] synonym: "Phenylformate" RELATED [HMDB] xref: Beilstein:1862486 {source="Beilstein"} xref: CAS:766-76-7 {source="NIST Chemistry WebBook"} xref: CAS:766-76-7 {source="ChemIDplus"} xref: Gmelin:2945 {source="Gmelin"} xref: HMDB:HMDB0001870 xref: KEGG:C00180 xref: MetaCyc:BENZOATE xref: Reaxys:1862486 {source="Reaxys"} xref: UM-BBD_compID:c0121 {source="UM-BBD"} is_a: CHEBI:22718 ! benzoates relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:30746 ! benzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WPYMKLBDIGXBTP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.11340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1ccccc1" xsd:string [Term] id: CHEBI:16158 name: steroid sulfate namespace: chebi_ontology alt_id: CHEBI:15110 alt_id: CHEBI:26760 alt_id: CHEBI:9264 def: "A sulfuric ester obtained by the formal condensation of a hydroxy group of any steroid with sulfuric acid." [] subset: 3_STAR synonym: "Phenolic steroid O-sulfate" RELATED [KEGG_COMPOUND] synonym: "Steroid O-sulfate" RELATED [KEGG_COMPOUND] synonym: "steroid O-sulfates" RELATED [ChEBI] synonym: "steroid sulfates" RELATED [ChEBI] xref: KEGG:C02590 is_a: CHEBI:25704 ! organic sulfate is_a: CHEBI:26819 ! sulfuric ester is_a: CHEBI:47880 ! steroid ester [Term] id: CHEBI:16162 name: o-orsellinate namespace: chebi_ontology alt_id: CHEBI:11441 alt_id: CHEBI:14700 alt_id: CHEBI:25724 def: "A dihydroxybenzoate that is the conjugate base of o-orsellinic acid." [] subset: 3_STAR synonym: "2,4-dihydroxy-6-methylbenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "orsellinate" RELATED [UniProt] xref: MetaCyc:CPD-47 xref: Reaxys:14405027 {source="Reaxys"} is_a: CHEBI:36084 ! dihydroxybenzoate relationship: is_conjugate_base_of CHEBI:32807 ! o-orsellinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H7O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMKYESDOVDKZKV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.13878" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.03498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(O)cc(O)c1C([O-])=O" xsd:string [Term] id: CHEBI:16183 name: methane namespace: chebi_ontology alt_id: CHEBI:14585 alt_id: CHEBI:25220 alt_id: CHEBI:6811 def: "A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC)." [] subset: 3_STAR synonym: "CH4" RELATED [IUPAC] synonym: "marsh gas" RELATED [NIST_Chemistry_WebBook] synonym: "metano" RELATED [ChEBI] synonym: "Methan" RELATED [ChEBI] synonym: "Methane" EXACT [KEGG_COMPOUND] synonym: "methane" EXACT IUPAC_NAME [IUPAC] synonym: "methane" EXACT [UniProt] synonym: "methane" EXACT [ChEBI] synonym: "methyl hydride" RELATED [ChemIDplus] synonym: "tetrahydridocarbon" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1718732 {source="ChemIDplus"} xref: CAS:74-82-8 {source="NIST Chemistry WebBook"} xref: CAS:74-82-8 {source="ChemIDplus"} xref: CAS:74-82-8 {source="KEGG COMPOUND"} xref: Gmelin:59 {source="Gmelin"} xref: HMDB:HMDB0002714 xref: KEGG:C01438 xref: MetaCyc:CH4 xref: Patent:FR994032 xref: Patent:US2583090 xref: PMID:17791569 {source="Europe PMC"} xref: PMID:23104415 {source="Europe PMC"} xref: PMID:23353606 {source="Europe PMC"} xref: PMID:23376302 {source="Europe PMC"} xref: PMID:23397538 {source="Europe PMC"} xref: PMID:23718889 {source="Europe PMC"} xref: PMID:23739479 {source="Europe PMC"} xref: PMID:23742231 {source="Europe PMC"} xref: PMID:23756351 {source="Europe PMC"} xref: PMID:24132456 {source="Europe PMC"} xref: PMID:24161402 {source="Europe PMC"} xref: PMID:24259373 {source="Europe PMC"} xref: Reaxys:1718732 {source="Reaxys"} xref: UM-BBD_compID:c0095 {source="UM-BBD"} xref: Wikipedia:Methane is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane is_a: CHEBI:37176 ! mononuclear parent hydride is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35230 ! fossil fuel relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:29438 ! methanide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4/h1H4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VNWKTOKETHGBQD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.04246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.03130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([H])[H]" xsd:string [Term] id: CHEBI:16189 name: sulfate namespace: chebi_ontology alt_id: CHEBI:15135 alt_id: CHEBI:45687 alt_id: CHEBI:9335 def: "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid." [] subset: 3_STAR synonym: "[SO4](2-)" RELATED [IUPAC] synonym: "SO4(2-)" RELATED [IUPAC] synonym: "Sulfate" EXACT [KEGG_COMPOUND] synonym: "sulfate" EXACT [UniProt] synonym: "sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfate anion(2-)" RELATED [HMDB] synonym: "Sulfate dianion" RELATED [HMDB] synonym: "SULFATE ION" RELATED [PDBeChem] synonym: "Sulfate(2-)" RELATED [HMDB] synonym: "Sulfuric acid ion(2-)" RELATED [HMDB] synonym: "sulphate" RELATED [ChEBI] synonym: "sulphate ion" RELATED [ChEBI] synonym: "tetraoxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3648446 {source="Beilstein"} xref: CAS:14808-79-8 {source="ChemIDplus"} xref: CAS:14808-79-8 {source="NIST Chemistry WebBook"} xref: Gmelin:2120 {source="Gmelin"} xref: HMDB:HMDB0001448 xref: KEGG:C00059 xref: KEGG:D05963 xref: MetaCyc:SULFATE xref: PDBeChem:SO4 xref: PMID:11200094 {source="Europe PMC"} xref: PMID:11452993 {source="Europe PMC"} xref: PMID:11581495 {source="Europe PMC"} xref: PMID:11798107 {source="Europe PMC"} xref: PMID:12166931 {source="Europe PMC"} xref: PMID:12668033 {source="Europe PMC"} xref: PMID:14597181 {source="Europe PMC"} xref: PMID:15093386 {source="Europe PMC"} xref: PMID:15984785 {source="Europe PMC"} xref: PMID:16186560 {source="Europe PMC"} xref: PMID:16345535 {source="Europe PMC"} xref: PMID:16347366 {source="Europe PMC"} xref: PMID:16348007 {source="Europe PMC"} xref: PMID:16483812 {source="Europe PMC"} xref: PMID:16534979 {source="Europe PMC"} xref: PMID:16656509 {source="Europe PMC"} xref: PMID:16742508 {source="Europe PMC"} xref: PMID:16742518 {source="Europe PMC"} xref: PMID:17120760 {source="Europe PMC"} xref: PMID:17420092 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17709180 {source="Europe PMC"} xref: PMID:18398178 {source="Europe PMC"} xref: PMID:18815700 {source="Europe PMC"} xref: PMID:18846414 {source="Europe PMC"} xref: PMID:19047345 {source="Europe PMC"} xref: PMID:19244483 {source="Europe PMC"} xref: PMID:19544990 {source="Europe PMC"} xref: PMID:19628332 {source="Europe PMC"} xref: PMID:19812358 {source="Europe PMC"} xref: PMID:30398859 {source="Europe PMC"} xref: Reaxys:3648446 {source="Reaxys"} xref: Wikipedia:Sulfate is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:45696 ! hydrogensulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:16196 name: oleic acid namespace: chebi_ontology alt_id: CHEBI:104361 alt_id: CHEBI:25664 alt_id: CHEBI:44741 alt_id: CHEBI:7741 def: "An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry." [] subset: 3_STAR synonym: "(9Z)-octadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z)-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-Octadec-9-enoic acid" RELATED [KEGG_COMPOUND] synonym: "18:1 n-9" RELATED [ChEBI] synonym: "18:1Delta9cis" RELATED [ChEBI] synonym: "C18:1 n-9" RELATED [ChEBI] synonym: "cis-9-octadecenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-Delta(9)-octadecenoic acid" RELATED [ChemIDplus] synonym: "cis-oleic acid" RELATED [ChEBI] synonym: "FA 18:1" RELATED [ChEBI] synonym: "Octadec-9-enoic acid" RELATED [ChEMBL] synonym: "Oelsaeure" RELATED [ChEBI] synonym: "Oleate" RELATED [KEGG_COMPOUND] synonym: "OLEIC ACID" EXACT [PDBeChem] synonym: "Oleic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1726542 {source="Beilstein"} xref: CAS:112-80-1 {source="KEGG COMPOUND"} xref: CAS:112-80-1 {source="NIST Chemistry WebBook"} xref: CAS:112-80-1 {source="ChemIDplus"} xref: Drug_Central:3400 {source="DrugCentral"} xref: DrugBank:DB04224 xref: ECMDB:ECMDB21348 xref: Gmelin:109551 {source="Gmelin"} xref: Gmelin:57556 {source="Gmelin"} xref: HMDB:HMDB0000207 xref: KEGG:C00712 xref: KEGG:D02315 xref: KNApSAcK:C00001232 xref: LIPID_MAPS_instance:LMFA01030002 {source="LIPID MAPS"} xref: PDBeChem:OLA xref: PMID:11304127 {source="Europe PMC"} xref: PMID:15325315 {source="Europe PMC"} xref: PMID:15723125 {source="Europe PMC"} xref: PMID:18772370 {source="Europe PMC"} xref: PMID:19761868 {source="Europe PMC"} xref: PMID:23844805 {source="Europe PMC"} xref: PMID:24819471 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:25794012 {source="Europe PMC"} xref: PMID:5332408 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} xref: Reaxys:1726542 {source="Reaxys"} xref: Wikipedia:Oleic_acid is_a: CHEBI:36021 ! octadec-9-enoic acid relationship: has_parent_hydride CHEBI:37604 ! cis-octadec-9-ene relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite relationship: is_conjugate_acid_of CHEBI:30823 ! oleate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.46140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:16199 name: urea namespace: chebi_ontology alt_id: CHEBI:15292 alt_id: CHEBI:27218 alt_id: CHEBI:46379 alt_id: CHEBI:9888 def: "A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O)." [] comment: LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. subset: 3_STAR synonym: "1728" RELATED [PPDB] synonym: "Carbamide" RELATED [KEGG_COMPOUND] synonym: "carbamide" RELATED INN [ChEBI] synonym: "carbonyldiamide" RELATED [NIST_Chemistry_WebBook] synonym: "E927b" RELATED [ChEBI] synonym: "H2NC(O)NH2" RELATED [ChEBI] synonym: "Harnstoff" RELATED [NIST_Chemistry_WebBook] synonym: "Karbamid" RELATED [ChEBI] synonym: "ur" RELATED [IUPAC] synonym: "UREA" EXACT [PDBeChem] synonym: "Urea" EXACT [KEGG_COMPOUND] synonym: "urea" EXACT [UniProt] synonym: "urea" EXACT IUPAC_NAME [IUPAC] synonym: "uree" RELATED [ChEBI] xref: Beilstein:635724 {source="Beilstein"} xref: CAS:57-13-6 {source="ChemIDplus"} xref: CAS:57-13-6 {source="NIST Chemistry WebBook"} xref: CAS:57-13-6 {source="KEGG COMPOUND"} xref: Codex:\:927b xref: Drug_Central:4264 {source="DrugCentral"} xref: DrugBank:DB03904 xref: ECMDB:ECMDB04172 xref: Europe:\:927b xref: Gmelin:1378 {source="Gmelin"} xref: HMDB:HMDB0000294 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3058 xref: KEGG:C00086 xref: KEGG:D00023 xref: KNApSAcK:C00007314 xref: MetaCyc:UREA xref: PDBeChem:URE xref: PMID:18037357 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PPDB:1728 xref: Reaxys:635724 {source="Reaxys"} xref: UM-BBD_compID:c0165 {source="UM-BBD"} xref: Wikipedia:Urea xref: YMDB:YMDB00003 is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:28976 ! carbonic acid relationship: has_role CHEBI:33287 ! fertilizer relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_tautomer_of CHEBI:48376 ! carbamimidic acid property_value: hasSynonym "urea (carbamide)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=O" xsd:string property_value: IAO:0000118 "carbamide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16215 name: phosphonate(2-) namespace: chebi_ontology alt_id: CHEBI:14820 alt_id: CHEBI:39856 alt_id: CHEBI:8154 def: "A divalent inorganic anion obtained by removal of both protons from phosphonic acid" [] subset: 3_STAR synonym: "[PHO3](2-)" RELATED [IUPAC] synonym: "hydridotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydridotrioxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "PHO3(2-)" RELATED [IUPAC] synonym: "PHOSPHONATE" RELATED [PDBeChem] synonym: "Phosphonate" RELATED [KEGG_COMPOUND] synonym: "phosphonate" RELATED [UniProt] synonym: "phosphonate" RELATED [IUPAC] xref: Gmelin:1618 {source="Gmelin"} xref: KEGG:C06701 xref: MetaCyc:PHOSPHONATE xref: PDBeChem:2PO is_a: CHEBI:33461 ! phosphorus oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:33462 ! phosphonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABLZXFCXXLZCGV-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.96743" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]P([O-])([O-])=O" xsd:string [Term] id: CHEBI:16223 name: dimethylarsinate namespace: chebi_ontology alt_id: CHEBI:14171 alt_id: CHEBI:23807 alt_id: CHEBI:4619 alt_id: CHEBI:48763 def: "The arsenic oxoanion that is the conjugate base of dimethylarsinic acid." [] subset: 3_STAR synonym: "[As(CH3)2O2](-)" RELATED [ChEBI] synonym: "CACODYLATE ION" RELATED [PDBeChem] synonym: "Dimethylarsinate" EXACT [KEGG_COMPOUND] synonym: "dimethylarsinate" EXACT [UniProt] synonym: "dimethylarsinate" EXACT IUPAC_NAME [IUPAC] synonym: "DMA" RELATED [ChEBI] synonym: "Kakodylat" RELATED [ChEBI] synonym: "Me2AsO2(-)" RELATED [ChEBI] xref: KEGG:C07308 xref: PDBeChem:CAC xref: PMID:19657532 {source="Europe PMC"} xref: PMID:21093857 {source="Europe PMC"} xref: UM-BBD_compID:c0753 {source="UM-BBD"} is_a: CHEBI:35776 ! arsenic oxoanion relationship: has_functional_parent CHEBI:29846 ! arsinate relationship: is_conjugate_base_of CHEBI:48765 ! dimethylarsinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6AsO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGGXGZAMXPVRFZ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.98944" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.95892" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As](C)([O-])=O" xsd:string [Term] id: CHEBI:16227 name: pyridine namespace: chebi_ontology alt_id: CHEBI:14974 alt_id: CHEBI:26415 alt_id: CHEBI:8662 def: "An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines." [] subset: 3_STAR synonym: "Azabenzene" RELATED [KEGG_COMPOUND] synonym: "py" RELATED [IUPAC] synonym: "Pyridine" EXACT [KEGG_COMPOUND] synonym: "pyridine" EXACT [UniProt] synonym: "pyridine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:103233 {source="Beilstein"} xref: CAS:110-86-1 {source="ChemIDplus"} xref: CAS:110-86-1 {source="KEGG COMPOUND"} xref: CAS:110-86-1 {source="NIST Chemistry WebBook"} xref: Gmelin:1996 {source="Gmelin"} xref: HMDB:HMDB0000926 xref: KEGG:C00747 xref: PDBeChem:0PY xref: PMID:24364496 {source="Europe PMC"} xref: PMID:24425539 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:103233 {source="Reaxys"} xref: Wikipedia:Pyridine is_a: CHEBI:26421 ! pyridines is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:38179 ! monocyclic heteroarene is_a: CHEBI:50893 ! azaarene relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.09990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccncc1" xsd:string [Term] id: CHEBI:16234 name: hydroxide namespace: chebi_ontology alt_id: CHEBI:13365 alt_id: CHEBI:13419 alt_id: CHEBI:44641 alt_id: CHEBI:5594 subset: 3_STAR synonym: "HO-" RELATED [KEGG_COMPOUND] synonym: "hydridooxygenate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROXIDE ION" RELATED [PDBeChem] synonym: "Hydroxide ion" RELATED [KEGG_COMPOUND] synonym: "OH(-)" RELATED [IUPAC] synonym: "OH-" RELATED [KEGG_COMPOUND] synonym: "oxidanide" EXACT IUPAC_NAME [IUPAC] xref: CAS:14280-30-9 "NIST Chemistry WebBook" xref: CAS:14280-30-9 {source="ChemIDplus"} xref: CAS:14280-30-9 {source="NIST Chemistry WebBook"} xref: Gmelin:24714 "Gmelin" xref: Gmelin:24714 {source="Gmelin"} xref: KEGG:C01328 xref: PDBeChem:OH is_a: CHEBI:33693 ! oxygen hydride relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_base_of CHEBI:15377 ! water property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.00734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00329" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][H]" xsd:string [Term] id: CHEBI:16235 name: guanine namespace: chebi_ontology alt_id: CHEBI:14371 alt_id: CHEBI:14372 alt_id: CHEBI:24443 alt_id: CHEBI:42948 alt_id: CHEBI:5563 def: "A 2-aminopurine carrying a 6-oxo substituent." [] subset: 3_STAR synonym: "2-amino-1,9-dihydro-6H-purin-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-6-hydroxypurine" RELATED [KEGG_COMPOUND] synonym: "2-amino-6-oxopurine" RELATED [ChEBI] synonym: "G" RELATED [ChEBI] synonym: "Gua" RELATED [CBN] synonym: "GUANINE" EXACT [PDBeChem] synonym: "Guanine" EXACT [KEGG_COMPOUND] synonym: "guanine" EXACT [UniProt] xref: Beilstein:147911 {source="Beilstein"} xref: CAS:73-40-5 {source="NIST Chemistry WebBook"} xref: CAS:73-40-5 {source="ChemIDplus"} xref: CAS:73-40-5 {source="KEGG COMPOUND"} xref: DrugBank:DB02377 xref: Gmelin:431879 {source="Gmelin"} xref: HMDB:HMDB0000132 xref: KEGG:C00242 xref: KNApSAcK:C00001501 xref: MetaCyc:GUANINE xref: PDBeChem:GUN xref: PMID:22770225 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:147911 {source="Reaxys"} xref: Wikipedia:Guanine is_a: CHEBI:20702 ! 2-aminopurines is_a: CHEBI:25810 ! oxopurine is_a: CHEBI:26386 ! purine nucleobase relationship: has_parent_hydride CHEBI:35589 ! 9H-purine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UYTPUPDQBNUYGX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.04941" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(N=C(NC1=O)N)NC=N2" xsd:string [Term] id: CHEBI:16236 name: ethanol namespace: chebi_ontology alt_id: CHEBI:14222 alt_id: CHEBI:23978 alt_id: CHEBI:30878 alt_id: CHEBI:30880 alt_id: CHEBI:42377 alt_id: CHEBI:44594 alt_id: CHEBI:4879 def: "A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group." [] subset: 3_STAR synonym: "1-hydroxyethane" RELATED [ChemIDplus] synonym: "[CH2Me(OH)]" RELATED [MolBase] synonym: "[OEtH]" RELATED [MolBase] synonym: "Aethanol" RELATED [ChemIDplus] synonym: "Aethylalkohol" RELATED [ChemIDplus] synonym: "alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "alcohol etilico" RELATED [ChEBI] synonym: "alcool ethylique" RELATED [ChemIDplus] synonym: "Alkohol" RELATED [ChemIDplus] synonym: "C2H5OH" RELATED [ChEBI] synonym: "Dehydrated ethanol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "etanol" RELATED [ChEBI] synonym: "ETHANOL" EXACT [PDBeChem] synonym: "Ethanol" EXACT [KEGG_COMPOUND] synonym: "ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "ethanol" EXACT [UniProt] synonym: "ethanol" EXACT [ChEBI] synonym: "Ethyl alcohol" RELATED [KEGG_COMPOUND] synonym: "EtOH" RELATED [ChemIDplus] synonym: "hydroxyethane" RELATED [ChemIDplus] synonym: "Methylcarbinol" RELATED [KEGG_COMPOUND] synonym: "spiritus vini" RELATED [ChEBI] xref: Beilstein:1718733 "Beilstein" xref: Beilstein:1718733 {source="Beilstein"} xref: CAS:64-17-5 "KEGG COMPOUND" xref: CAS:64-17-5 {source="ChemIDplus"} xref: CAS:64-17-5 {source="NIST Chemistry WebBook"} xref: CAS:64-17-5 {source="KEGG COMPOUND"} xref: Drug_Central:1076 "DrugCentral" xref: Drug_Central:1076 {source="DrugCentral"} xref: DrugBank:DB00898 xref: Gmelin:787 "Gmelin" xref: Gmelin:787 {source="Gmelin"} xref: HMDB:HMDB0000108 xref: KEGG:C00469 xref: KEGG:D00068 xref: KEGG:D06542 xref: KNApSAcK:C00019560 xref: MetaCyc:ETOH xref: MolBase:858 xref: MolBase:859 xref: PDBeChem:EOH xref: PMID:11046114 "Europe PMC" xref: PMID:11046114 {source="Europe PMC"} xref: PMID:11090978 "Europe PMC" xref: PMID:11090978 {source="Europe PMC"} xref: PMID:11198720 "Europe PMC" xref: PMID:11198720 {source="Europe PMC"} xref: PMID:11200745 "Europe PMC" xref: PMID:11200745 {source="Europe PMC"} xref: PMID:11262320 "Europe PMC" xref: PMID:11262320 {source="Europe PMC"} xref: PMID:11303910 "Europe PMC" xref: PMID:11303910 {source="Europe PMC"} xref: PMID:11333032 "Europe PMC" xref: PMID:11333032 {source="Europe PMC"} xref: PMID:11505026 "Europe PMC" xref: PMID:11505026 {source="Europe PMC"} xref: PMID:11590970 "Europe PMC" xref: PMID:11590970 {source="Europe PMC"} xref: PMID:11728426 "Europe PMC" xref: PMID:11728426 {source="Europe PMC"} xref: PMID:11750186 "Europe PMC" xref: PMID:11750186 {source="Europe PMC"} xref: PMID:11754521 "Europe PMC" xref: PMID:11754521 {source="Europe PMC"} xref: PMID:11810019 "Europe PMC" xref: PMID:11810019 {source="Europe PMC"} xref: PMID:11826039 "Europe PMC" xref: PMID:11826039 {source="Europe PMC"} xref: PMID:11981228 "Europe PMC" xref: PMID:11981228 {source="Europe PMC"} xref: PMID:12824058 "Europe PMC" xref: PMID:12824058 {source="Europe PMC"} xref: PMID:12829422 "Europe PMC" xref: PMID:12829422 {source="Europe PMC"} xref: PMID:12888778 "Europe PMC" xref: PMID:12888778 {source="Europe PMC"} xref: PMID:12946583 "Europe PMC" xref: PMID:12946583 {source="Europe PMC"} xref: PMID:14674846 "Europe PMC" xref: PMID:14674846 {source="Europe PMC"} xref: PMID:15019421 "Europe PMC" xref: PMID:15019421 {source="Europe PMC"} xref: PMID:15239123 "Europe PMC" xref: PMID:15239123 {source="Europe PMC"} xref: PMID:15285839 "Europe PMC" xref: PMID:15285839 {source="Europe PMC"} xref: PMID:15464411 "Europe PMC" xref: PMID:15464411 {source="Europe PMC"} xref: PMID:15465973 "Europe PMC" xref: PMID:15465973 {source="Europe PMC"} xref: PMID:15749123 "Europe PMC" xref: PMID:15749123 {source="Europe PMC"} xref: PMID:15900217 "Europe PMC" xref: PMID:15900217 {source="Europe PMC"} xref: PMID:15902919 "Europe PMC" xref: PMID:15902919 {source="Europe PMC"} xref: PMID:16084479 "Europe PMC" xref: PMID:16084479 {source="Europe PMC"} xref: PMID:16133132 "Europe PMC" xref: PMID:16133132 {source="Europe PMC"} xref: PMID:16352430 "Europe PMC" xref: PMID:16352430 {source="Europe PMC"} xref: PMID:16390872 "Europe PMC" xref: PMID:16390872 {source="Europe PMC"} xref: PMID:16737463 "Europe PMC" xref: PMID:16737463 {source="Europe PMC"} xref: PMID:16891664 "Europe PMC" xref: PMID:16891664 {source="Europe PMC"} xref: PMID:16934862 "Europe PMC" xref: PMID:16934862 {source="Europe PMC"} xref: PMID:17043811 "Europe PMC" xref: PMID:17043811 {source="Europe PMC"} xref: PMID:17190852 "Europe PMC" xref: PMID:17190852 {source="Europe PMC"} xref: PMID:17663926 "Europe PMC" xref: PMID:17663926 {source="Europe PMC"} xref: PMID:17687877 "Europe PMC" xref: PMID:17687877 {source="Europe PMC"} xref: PMID:18095657 "Europe PMC" xref: PMID:18095657 {source="Europe PMC"} xref: PMID:18249266 "Europe PMC" xref: PMID:18249266 {source="Europe PMC"} xref: PMID:18320157 "Europe PMC" xref: PMID:18320157 {source="Europe PMC"} xref: PMID:18347649 "Europe PMC" xref: PMID:18347649 {source="Europe PMC"} xref: PMID:18408978 "Europe PMC" xref: PMID:18408978 {source="Europe PMC"} xref: PMID:18411066 "Europe PMC" xref: PMID:18411066 {source="Europe PMC"} xref: PMID:18456322 "Europe PMC" xref: PMID:18456322 {source="Europe PMC"} xref: PMID:18513832 "Europe PMC" xref: PMID:18513832 {source="Europe PMC"} xref: PMID:18922656 "Europe PMC" xref: PMID:18922656 {source="Europe PMC"} xref: PMID:18925476 "Europe PMC" xref: PMID:18925476 {source="Europe PMC"} xref: PMID:19280886 "Europe PMC" xref: PMID:19280886 {source="Europe PMC"} xref: PMID:19359288 "Europe PMC" xref: PMID:19359288 {source="Europe PMC"} xref: PMID:19384566 "Europe PMC" xref: PMID:19384566 {source="Europe PMC"} xref: PMID:19458312 "Europe PMC" xref: PMID:19458312 {source="Europe PMC"} xref: PMID:19851413 "Europe PMC" xref: PMID:19851413 {source="Europe PMC"} xref: PMID:19901811 "Europe PMC" xref: PMID:19901811 {source="Europe PMC"} xref: PMID:21600756 "Europe PMC" xref: PMID:21600756 {source="Europe PMC"} xref: PMID:21762181 "Europe PMC" xref: PMID:21762181 {source="Europe PMC"} xref: PMID:21881875 "Europe PMC" xref: PMID:21881875 {source="Europe PMC"} xref: PMID:21967628 "Europe PMC" xref: PMID:21967628 {source="Europe PMC"} xref: PMID:22019193 "Europe PMC" xref: PMID:22019193 {source="Europe PMC"} xref: PMID:22222864 "Europe PMC" xref: PMID:22222864 {source="Europe PMC"} xref: PMID:22261437 "Europe PMC" xref: PMID:22261437 {source="Europe PMC"} xref: PMID:22286266 "Europe PMC" xref: PMID:22286266 {source="Europe PMC"} xref: PMID:22306018 "Europe PMC" xref: PMID:22306018 {source="Europe PMC"} xref: PMID:22331491 "Europe PMC" xref: PMID:22331491 {source="Europe PMC"} xref: PMID:22336593 "Europe PMC" xref: PMID:22336593 {source="Europe PMC"} xref: PPDB:1373 xref: Reaxys:1718733 {source="Reaxys"} xref: Reaxys:1718733 "Reaxys" xref: UM-BBD_compID:c0038 {source="UM-BBD"} xref: UM-BBD_compID:c0038 "UM-BBD" xref: Wikipedia:Ethanol is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23982 ! ethanols is_a: CHEBI:50584 ! alkyl alcohol relationship: has_role CHEBI:35488 ! central nervous system depressant relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:48354 ! polar solvent relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:64018 ! protein kinase C agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:52092 ! ethoxide relationship: part_of FOODON:00001579 ! alcoholic beverage property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.06844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCO" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16240 name: hydrogen peroxide namespace: chebi_ontology alt_id: CHEBI:13354 alt_id: CHEBI:13355 alt_id: CHEBI:24637 alt_id: CHEBI:44812 alt_id: CHEBI:5586 def: "An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond." [] subset: 3_STAR synonym: "[OH(OH)]" RELATED [MolBase] synonym: "bis(hydridooxygen)(O--O)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen dioxide" RELATED [IUPAC] synonym: "dihydrogen peroxide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen(peroxide)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxidane" EXACT IUPAC_NAME [IUPAC] synonym: "H2O2" RELATED [UniProt] synonym: "H2O2" RELATED [KEGG_COMPOUND] synonym: "HOOH" RELATED [IUPAC] synonym: "HYDROGEN PEROXIDE" EXACT [PDBeChem] synonym: "Hydrogen peroxide" EXACT [KEGG_COMPOUND] synonym: "hydrogen peroxide" EXACT IUPAC_NAME [IUPAC] synonym: "Oxydol" RELATED [KEGG_COMPOUND] synonym: "perhydrol" RELATED [MetaCyc] xref: Beilstein:3587191 {source="Beilstein"} xref: CAS:7722-84-1 {source="KEGG COMPOUND"} xref: CAS:7722-84-1 {source="NIST Chemistry WebBook"} xref: CAS:7722-84-1 {source="ChemIDplus"} xref: Drug_Central:3281 {source="DrugCentral"} xref: Gmelin:509 {source="Gmelin"} xref: HMDB:HMDB0003125 xref: KEGG:C00027 xref: KEGG:D00008 xref: MetaCyc:HYDROGEN-PEROXIDE xref: MolBase:932 xref: PDBeChem:PEO xref: PMID:10455187 {source="Europe PMC"} xref: PMID:10557015 {source="Europe PMC"} xref: PMID:10849784 {source="Europe PMC"} xref: PMID:11033421 {source="Europe PMC"} xref: PMID:11105916 {source="Europe PMC"} xref: PMID:11318558 {source="Europe PMC"} xref: PMID:11387393 {source="Europe PMC"} xref: PMID:11809417 {source="Europe PMC"} xref: PMID:11864786 {source="Europe PMC"} xref: PMID:11893576 {source="Europe PMC"} xref: PMID:12867293 {source="Europe PMC"} xref: PMID:12934880 {source="Europe PMC"} xref: PMID:14679422 {source="Europe PMC"} xref: PMID:15028418 {source="Europe PMC"} xref: PMID:15133946 {source="Europe PMC"} xref: PMID:15298493 {source="Europe PMC"} xref: PMID:16337875 {source="Europe PMC"} xref: PMID:16463018 {source="Europe PMC"} xref: PMID:16864869 {source="Europe PMC"} xref: PMID:17020896 {source="Europe PMC"} xref: PMID:17179007 {source="Europe PMC"} xref: PMID:17610934 {source="Europe PMC"} xref: PMID:17948137 {source="Europe PMC"} xref: PMID:18179203 {source="Europe PMC"} xref: PMID:18182702 {source="Europe PMC"} xref: PMID:18306736 {source="Europe PMC"} xref: PMID:18443210 {source="Europe PMC"} xref: PMID:18592736 {source="Europe PMC"} xref: PMID:19107210 {source="Europe PMC"} xref: PMID:19229032 {source="Europe PMC"} xref: PMID:19297450 {source="Europe PMC"} xref: PMID:19509065 {source="Europe PMC"} xref: PMID:26352695 {source="Europe PMC"} xref: PMID:26365231 {source="Europe PMC"} xref: PMID:7548021 {source="Europe PMC"} xref: PMID:7581816 {source="Europe PMC"} xref: PMID:8048546 {source="Europe PMC"} xref: PMID:8375042 {source="Europe PMC"} xref: PMID:8451754 {source="Europe PMC"} xref: PMID:9051670 {source="Europe PMC"} xref: PMID:9100841 {source="Europe PMC"} xref: PMID:9168257 {source="Europe PMC"} xref: PMID:9202721 {source="Europe PMC"} xref: PMID:9558114 {source="Europe PMC"} xref: PPDB:387 xref: Reaxys:3587191 {source="Reaxys"} xref: Wikipedia:Hydrogen_peroxide is_a: CHEBI:24837 ! inorganic peroxide is_a: CHEBI:26523 ! reactive oxygen species relationship: has_role CHEBI:132717 ! bleaching agent relationship: has_role CHEBI:149552 ! emetic relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:63490 ! explosive relationship: has_role CHEBI:65259 ! GABA antagonist relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29192 ! hydrogenperoxide(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O2/c1-2/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MHAJPDPJQMAIIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "34.01468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OO[H]" xsd:string [Term] id: CHEBI:16243 name: quercetin namespace: chebi_ontology alt_id: CHEBI:11704 alt_id: CHEBI:14991 alt_id: CHEBI:26472 alt_id: CHEBI:45280 alt_id: CHEBI:8696 def: "A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one" EXACT [] synonym: "3,3',4',5,7-pentahydroxyflavone" RELATED [] synonym: "3,5,7,3',4'-PENTAHYDROXYFLAVONE" RELATED [] synonym: "3,5,7,3',4'-Pentahydroxyflavone" RELATED [] synonym: "Quercetin" EXACT [] synonym: "sophoretin" RELATED [] synonym: "xanthaurine" RELATED [] xref: Beilstein:317313 xref: CAS:117-39-5 xref: Drug_Central:3514 xref: DrugBank:DB04216 xref: FooDB:FDB011904 xref: Gmelin:579210 xref: HMDB:HMDB0005794 xref: KEGG:C00389 xref: KNApSAcK:C00004631 xref: LINCS:LSM-4199 xref: LIPID_MAPS_instance:LMPK12110004 xref: MetaCyc:CPD-520 xref: Patent:KR20120121684 xref: Patent:US2013012577 xref: PDBeChem:QUE xref: PMID:16226777 xref: PMID:17015250 xref: PMID:17135030 xref: PMID:17426744 xref: PMID:18096136 xref: PMID:18484521 xref: PMID:18549926 xref: PMID:18564899 xref: PMID:18579649 xref: PMID:18785622 xref: PMID:19043800 xref: PMID:19461927 xref: PMID:22920589 xref: PMID:23342112 xref: PMID:23359794 xref: PMID:27565033 xref: PMID:27589790 xref: PMID:27591927 xref: PMID:27704720 xref: Reaxys:317313 xref: Wikipedia:Quercetin is_a: CHEBI:28802 ! flavonols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REFJWTPEDVJJIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.04265" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16247 name: phospholipid namespace: chebi_ontology alt_id: CHEBI:14816 alt_id: CHEBI:26063 alt_id: CHEBI:8150 def: "A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides." [] subset: 3_STAR synonym: "a phospholipid derivative" RELATED [UniProt] synonym: "Phospholipid" EXACT [KEGG_COMPOUND] synonym: "phospholipids" RELATED [ChEBI] xref: KEGG:C00865 is_a: CHEBI:18059 ! lipid is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester relationship: is_conjugate_acid_of CHEBI:62643 ! anionic phospholipid [Term] id: CHEBI:16260 name: 2-nitrophenol namespace: chebi_ontology alt_id: CHEBI:11631 alt_id: CHEBI:1225 alt_id: CHEBI:19726 def: "A member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is ortho to the hydroxy group has been replaced by a nitro group." [] subset: 3_STAR synonym: "2-hydroxynitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "2-Nitrophenol" EXACT [KEGG_COMPOUND] synonym: "2-nitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "o-hydroxynitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "o-nitrophenol" RELATED [ChemIDplus] xref: Beilstein:775403 {source="Beilstein"} xref: CAS:88-75-5 {source="KEGG COMPOUND"} xref: CAS:88-75-5 {source="NIST Chemistry WebBook"} xref: CAS:88-75-5 {source="ChemIDplus"} xref: Gmelin:101867 {source="Gmelin"} xref: KEGG:C01988 xref: MetaCyc:CPD-258 xref: PMID:23796307 {source="Europe PMC"} xref: PMID:24347320 {source="Europe PMC"} xref: Reaxys:775403 {source="Reaxys"} is_a: CHEBI:86421 ! 2-nitrophenols relationship: is_conjugate_acid_of CHEBI:57703 ! 2-nitrophenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQUPABOKLQSFBK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "139.10880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "139.02694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:16268 name: nitroethane namespace: chebi_ontology alt_id: CHEBI:116697 alt_id: CHEBI:14659 alt_id: CHEBI:25554 alt_id: CHEBI:7589 def: "A nitroalkane that is ethane substituted by a nitro group." [] subset: 3_STAR synonym: "1-nitroethane" RELATED [NIST_Chemistry_WebBook] synonym: "Nitroethan" RELATED [ChEBI] synonym: "Nitroethane" EXACT [KEGG_COMPOUND] synonym: "nitroethane" EXACT [UniProt] synonym: "nitroethane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1209324 {source="Beilstein"} xref: CAS:79-24-3 {source="NIST Chemistry WebBook"} xref: CAS:79-24-3 {source="KEGG COMPOUND"} xref: CAS:79-24-3 {source="ChemIDplus"} xref: Gmelin:68639 {source="Gmelin"} xref: KEGG:C01837 xref: MetaCyc:CPD-12077 xref: PDBeChem:NIE xref: PMID:18491914 {source="Europe PMC"} xref: PMID:24963606 {source="Europe PMC"} xref: Reaxys:1209324 {source="Reaxys"} xref: Wikipedia:Nitroethane is_a: CHEBI:133972 ! primary nitroalkane relationship: is_tautomer_of CHEBI:77894 ! aci-nitroethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MCSAJNNLRCFZED-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[N+]([O-])=O" xsd:string [Term] id: CHEBI:16269 name: N,N-dimethylaniline namespace: chebi_ontology alt_id: CHEBI:12423 alt_id: CHEBI:21452 alt_id: CHEBI:7074 def: "A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups." [] subset: 3_STAR synonym: "Dimethylaminobenzene" RELATED [KEGG_COMPOUND] synonym: "Dimethylaniline" RELATED [ChemIDplus] synonym: "Dimethylphenylamine" RELATED [ChemIDplus] synonym: "N,N-Dimethyl-N-phenylamine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-Dimethylaniline" EXACT [KEGG_COMPOUND] synonym: "N,N-dimethylaniline" EXACT [UniProt] synonym: "N,N-Dimethylbenzenamine" RELATED [KEGG_COMPOUND] synonym: "N,N-Dimethylbenzeneamine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-Dimethylphenylamine" RELATED [ChemIDplus] xref: CAS:121-69-7 {source="ChemIDplus"} xref: CAS:121-69-7 {source="NIST Chemistry WebBook"} xref: CAS:121-69-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0001020 xref: KEGG:C02846 xref: MetaCyc:NN-DIMETHYLANILINE xref: PMID:24315030 {source="Europe PMC"} xref: Reaxys:507140 {source="Reaxys"} xref: Wikipedia:Dimethylaniline is_a: CHEBI:23806 ! dimethylaniline is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLTDJTHDQAWBAV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.17968" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1ccccc1" xsd:string [Term] id: CHEBI:16277 name: haloacetic acid namespace: chebi_ontology alt_id: CHEBI:14385 alt_id: CHEBI:24467 alt_id: CHEBI:5608 def: "A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a halogen atom." [] subset: 3_STAR xref: KEGG:C01812 is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: is_conjugate_acid_of CHEBI:85638 ! haloacetate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2X" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C*" xsd:string [Term] id: CHEBI:16301 name: nitrite namespace: chebi_ontology alt_id: CHEBI:14658 alt_id: CHEBI:44396 alt_id: CHEBI:7585 def: "The nitrogen oxoanion formed by loss of a proton from nitrous acid." [] subset: 3_STAR synonym: "[NO2](-)" RELATED [IUPAC] synonym: "dioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxonitrate(III)" EXACT IUPAC_NAME [IUPAC] synonym: "Nitrit" RELATED [ChEBI] synonym: "Nitrite" EXACT [KEGG_COMPOUND] synonym: "nitrite" EXACT [UniProt] synonym: "nitrite" EXACT IUPAC_NAME [IUPAC] synonym: "nitrite anion" RELATED [ChemIDplus] synonym: "NITRITE ION" RELATED [PDBeChem] synonym: "nitrite(1-)" RELATED [ChemIDplus] synonym: "nitrous acid, ion(1-)" RELATED [ChemIDplus] synonym: "NO2" RELATED [ChEBI] synonym: "NO2(-)" RELATED [IUPAC] xref: CAS:14797-65-0 {source="ChemIDplus"} xref: CAS:14797-65-0 {source="NIST Chemistry WebBook"} xref: Gmelin:977 {source="Gmelin"} xref: KEGG:C00088 xref: PDBeChem:NO2 xref: Wikipedia:Nitrite is_a: CHEBI:33458 ! nitrogen oxoanion is_a: CHEBI:62764 ! reactive nitrogen species is_a: CHEBI:79389 ! monovalent inorganic anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:25567 ! nitrous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IOVCWXUNBOPUCH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.00554" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.99345" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]N=O" xsd:string [Term] id: CHEBI:16313 name: D-proline namespace: chebi_ontology alt_id: CHEBI:13008 alt_id: CHEBI:21070 alt_id: CHEBI:42012 alt_id: CHEBI:42129 alt_id: CHEBI:42213 alt_id: CHEBI:4226 alt_id: CHEBI:45156 def: "The D-enantiomer of proline." [] subset: 3_STAR synonym: "(2R)-pyrrolidine-2-carboxylic acid" RELATED [IUPAC] synonym: "(R)-2-Carboxypyrrolidine" RELATED [HMDB] synonym: "(R)-pyrrolidine-2-carboxylic acid" RELATED [ChEBI] synonym: "D-Prolin" RELATED [ChEBI] synonym: "D-PROLINE" EXACT [PDBeChem] synonym: "D-Proline" EXACT [KEGG_COMPOUND] synonym: "D-proline" EXACT IUPAC_NAME [IUPAC] synonym: "DPR" RELATED [PDBeChem] xref: Beilstein:80811 {source="Beilstein"} xref: CAS:344-25-2 {source="ChemIDplus"} xref: CAS:344-25-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02853 xref: Gmelin:833984 {source="Gmelin"} xref: HMDB:HMDB0003411 xref: KEGG:C00763 xref: MetaCyc:D-PROLINE xref: PDBeChem:DPR xref: PMID:19023642 {source="Europe PMC"} xref: PMID:20023020 {source="Europe PMC"} xref: PMID:20959625 {source="Europe PMC"} xref: PMID:21374575 {source="Europe PMC"} xref: PMID:21563681 {source="Europe PMC"} xref: PMID:22475019 {source="Europe PMC"} xref: PMID:22479580 {source="Europe PMC"} xref: Reaxys:80811 {source="Reaxys"} xref: Wikipedia:D-proline is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:26271 ! proline relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:32867 ! D-prolinate relationship: is_conjugate_base_of CHEBI:32868 ! D-prolinium relationship: is_enantiomer_of CHEBI:17203 ! L-proline relationship: is_tautomer_of CHEBI:57726 ! D-proline zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@H]1CCCN1" xsd:string [Term] id: CHEBI:16335 name: adenosine namespace: chebi_ontology alt_id: CHEBI:13734 alt_id: CHEBI:22237 alt_id: CHEBI:2472 alt_id: CHEBI:40558 alt_id: CHEBI:40825 alt_id: CHEBI:40906 def: "A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond." [] subset: 3_STAR synonym: "(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" RELATED [DrugBank] synonym: "6-Amino-9-beta-D-ribofuranosyl-9H-purine" RELATED [ChemIDplus] synonym: "9-beta-D-Ribofuranosidoadenine" RELATED [ChemIDplus] synonym: "9-beta-D-Ribofuranosyl-9H-purin-6-amine" RELATED [ChemIDplus] synonym: "9-beta-D-ribofuranosyl-9H-purin-6-amine" RELATED [ChEBI] synonym: "Ade-Rib" RELATED [CBN] synonym: "Adenine Deoxyribonucleoside" RELATED [DrugBank] synonym: "Adenocard" RELATED BRAND_NAME [DrugBank] synonym: "Adenocor" RELATED BRAND_NAME [DrugBank] synonym: "Adenoscan" RELATED BRAND_NAME [DrugBank] synonym: "Adenosin" RELATED [ChEBI] synonym: "ADENOSINE" EXACT [PDBeChem] synonym: "Adenosine" EXACT [KEGG_COMPOUND] synonym: "adenosine" EXACT IUPAC_NAME [IUPAC] synonym: "adenosine" EXACT [UniProt] synonym: "Adenyldeoxyriboside" RELATED [DrugBank] synonym: "Ado" RELATED [CBN] synonym: "beta-D-Adenosine" RELATED [ChemIDplus] synonym: "Deoxyadenosine" RELATED [DrugBank] synonym: "Desoxyadenosine" RELATED [DrugBank] xref: Beilstein:93029 {source="Beilstein"} xref: CAS:58-61-7 {source="ChemIDplus"} xref: CAS:58-61-7 {source="NIST Chemistry WebBook"} xref: CAS:58-61-7 {source="KEGG COMPOUND"} xref: Drug_Central:90 {source="DrugCentral"} xref: DrugBank:DB00640 xref: ECMDB:ECMDB00050 xref: Gmelin:53385 {source="Gmelin"} xref: HMDB:HMDB0000050 xref: KEGG:C00212 xref: KEGG:D00045 xref: KNApSAcK:C00007444 xref: LINCS:LSM-28568 xref: MetaCyc:ADENOSINE xref: PDBeChem:ADN xref: PMID:11213237 {source="Europe PMC"} xref: PMID:11820865 {source="Europe PMC"} xref: PMID:11978011 {source="Europe PMC"} xref: PMID:16183671 {source="Europe PMC"} xref: PMID:16917093 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:18000974 {source="Europe PMC"} xref: PMID:323854 {source="Europe PMC"} xref: Reaxys:93029 {source="Reaxys"} xref: Wikipedia:Adenosine xref: YMDB:YMDB00058 is_a: CHEBI:142355 ! purines D-ribonucleoside is_a: CHEBI:22260 ! adenosines relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N5O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIRDTQYFTABQOQ-KQYNXXCUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "267.24152" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "267.09675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:16356 name: 3',5'-cyclic GMP namespace: chebi_ontology alt_id: CHEBI:11675 alt_id: CHEBI:1327 alt_id: CHEBI:14377 alt_id: CHEBI:19829 alt_id: CHEBI:39915 alt_id: CHEBI:44955 alt_id: CHEBI:44957 def: "A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine." [] subset: 3_STAR synonym: "3',5'-Cyclic GMP" EXACT [KEGG_COMPOUND] synonym: "cGMP" RELATED [KEGG_COMPOUND] synonym: "Cyclic GMP" RELATED [KEGG_COMPOUND] synonym: "guanosine 3',5'-(hydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "Guanosine 3',5'-cyclic monophosphate" RELATED [KEGG_COMPOUND] synonym: "Guanosine 3',5'-cyclic phosphate" RELATED [KEGG_COMPOUND] synonym: "Guanosine cyclic monophosphate" RELATED [ChemIDplus] xref: CAS:7665-99-8 {source="KEGG COMPOUND"} xref: CAS:7665-99-8 {source="ChemIDplus"} xref: DrugBank:DB02315 xref: HMDB:HMDB0001314 xref: KEGG:C00942 xref: KNApSAcK:C00019673 xref: PDBeChem:35G xref: PDBeChem:PCG xref: PMID:24591051 {source="Europe PMC"} xref: PMID:24705918 {source="Europe PMC"} xref: Reaxys:586222 {source="Reaxys"} is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide is_a: CHEBI:61295 ! guanyl ribonucleotide relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:57746 ! 3',5'-cyclic GMP(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N5O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOOGRGPOEVQQDX-UUOKFMHZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "345.20554" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "345.04743" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O" xsd:string [Term] id: CHEBI:16374 name: menaquinone namespace: chebi_ontology alt_id: CHEBI:14582 alt_id: CHEBI:25184 alt_id: CHEBI:6749 def: "Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position." [] subset: 3_STAR synonym: "a menaquinone" RELATED [] synonym: "Menaquinone" EXACT [] synonym: "menaquinone-n" RELATED [] synonym: "Menatetrenone" RELATED [] synonym: "MK-n" RELATED [] synonym: "vitamin K2" RELATED [] xref: CAS:11032-49-8 xref: KEGG:C00828 xref: Wikipedia:Vitamin_K2 is_a: CHEBI:28384 ! vitamin K property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)nC11H8O2" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16375 name: D-cysteine namespace: chebi_ontology alt_id: CHEBI:12919 alt_id: CHEBI:20921 alt_id: CHEBI:4111 alt_id: CHEBI:41887 def: "An optically active form of cysteine having D-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2S)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(S)-2-amino-3-mercaptopropanoic acid" RELATED [ChEBI] synonym: "D-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Cystein" RELATED [ChEBI] synonym: "D-CYSTEINE" EXACT [PDBeChem] synonym: "D-Cysteine" EXACT [KEGG_COMPOUND] synonym: "D-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "D-Zystein" RELATED [ChEBI] synonym: "DCY" RELATED [PDBeChem] xref: Beilstein:1721407 {source="Beilstein"} xref: CAS:921-01-7 {source="KEGG COMPOUND"} xref: CAS:921-01-7 {source="ChemIDplus"} xref: DrugBank:DB03201 xref: ECMDB:ECMDB03417 xref: Gmelin:363236 {source="Gmelin"} xref: HMDB:HMDB0003417 xref: KEGG:C00793 xref: KNApSAcK:C00007323 xref: PDBeChem:DCY xref: PMID:13761469 {source="Europe PMC"} xref: PMID:23340406 {source="Europe PMC"} xref: PMID:24800864 {source="Europe PMC"} xref: Reaxys:1721407 {source="Reaxys"} xref: YMDB:YMDB00913 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:16733 ! D-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:17561 ! L-cysteine relationship: is_tautomer_of CHEBI:35236 ! D-cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:16385 name: organic sulfide namespace: chebi_ontology alt_id: CHEBI:13694 alt_id: CHEBI:26960 alt_id: CHEBI:9340 def: "Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers." [] subset: 3_STAR synonym: "organic sulfides" RELATED [ChEBI] synonym: "RSR" RELATED [IUPAC] synonym: "Sulfide" RELATED [KEGG_COMPOUND] synonym: "sulfides" EXACT IUPAC_NAME [IUPAC] synonym: "Thioether" RELATED [KEGG_COMPOUND] synonym: "thioethers" RELATED [IUPAC] xref: KEGG:C00297 is_a: CHEBI:26822 ! sulfide is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string [Term] id: CHEBI:16389 name: ubiquinones def: "Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants." [] is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:26255 ! prenylquinone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16397 name: formamide namespace: chebi_ontology alt_id: CHEBI:14275 alt_id: CHEBI:24078 alt_id: CHEBI:40895 alt_id: CHEBI:5143 def: "The simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes." [] subset: 3_STAR synonym: "Ameisensaeureamid" RELATED [ChEBI] synonym: "carbamaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Formamid" RELATED [ChEBI] synonym: "FORMAMIDE" EXACT [PDBeChem] synonym: "Formamide" EXACT [KEGG_COMPOUND] synonym: "formamide" EXACT [UniProt] synonym: "formamide" EXACT IUPAC_NAME [IUPAC] synonym: "formimidic acid" RELATED [ChemIDplus] synonym: "Methanamid" RELATED [ChEBI] synonym: "Methanamide" RELATED [KEGG_COMPOUND] xref: Beilstein:505995 {source="Beilstein"} xref: CAS:75-12-7 {source="ChemIDplus"} xref: CAS:75-12-7 {source="NIST Chemistry WebBook"} xref: CAS:75-12-7 {source="KEGG COMPOUND"} xref: Gmelin:824 {source="Gmelin"} xref: HMDB:HMDB0001536 xref: KEGG:C00488 xref: MetaCyc:FORMAMIDE xref: PDBeChem:ARF xref: PMID:11282235 {source="Europe PMC"} xref: PMID:11545392 {source="Europe PMC"} xref: PMID:12115814 {source="Europe PMC"} xref: PMID:14750843 {source="Europe PMC"} xref: PMID:15082074 {source="Europe PMC"} xref: PMID:17184725 {source="Europe PMC"} xref: PMID:19334838 {source="Europe PMC"} xref: PMID:21215846 {source="Europe PMC"} xref: PMID:21229996 {source="Europe PMC"} xref: PMID:21573300 {source="Europe PMC"} xref: PMID:21647491 {source="Europe PMC"} xref: PMID:21647492 {source="Europe PMC"} xref: PMID:21769603 {source="Europe PMC"} xref: PMID:21932847 {source="Europe PMC"} xref: Reaxys:505995 {source="Reaxys"} xref: UM-BBD_compID:c0796 {source="UM-BBD"} xref: Wikipedia:Formamide is_a: CHEBI:24079 ! formamides is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:30751 ! formic acid relationship: has_role CHEBI:46787 ! solvent relationship: is_tautomer_of CHEBI:48431 ! formimidic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZHNUHDYFZUAESO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.04066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.02146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(N)=O" xsd:string [Term] id: CHEBI:16412 name: lipopolysaccharide namespace: chebi_ontology alt_id: CHEBI:14520 alt_id: CHEBI:25062 alt_id: CHEBI:6494 def: "Liposaccharide natural compounds consisting of a trisaccharide repeating unit (two heptose units and octulosonic acid) with oligosaccharide side chains and 3-hydroxytetradecanoic acid units (they are a major constituent of the cell walls of Gram-negative bacteria)." [] subset: 3_STAR synonym: "Lipopolysaccharide" EXACT [KEGG_COMPOUND] synonym: "lipopolysaccharides" RELATED [ChEBI] synonym: "LPS" RELATED [KEGG_COMPOUND] xref: KEGG:C00338 xref: PMID:15589368 {source="Europe PMC"} xref: PMID:24186868 {source="Europe PMC"} xref: PMID:24506665 {source="Europe PMC"} xref: PMID:24642373 {source="Europe PMC"} xref: PMID:24659348 {source="Europe PMC"} is_a: CHEBI:35740 ! liposaccharide is_a: CHEBI:65212 ! polysaccharide derivative relationship: has_part CHEBI:64637 ! O-polysaccharide [Term] id: CHEBI:16414 name: L-valine namespace: chebi_ontology alt_id: CHEBI:13186 alt_id: CHEBI:21417 alt_id: CHEBI:46282 alt_id: CHEBI:46376 alt_id: CHEBI:46418 alt_id: CHEBI:46484 alt_id: CHEBI:6321 def: "The L-enantiomer of valine." [] subset: 3_STAR synonym: "(2S)-2-amino-3-methylbutanoic acid" RELATED [IUPAC] synonym: "(S)-valine" RELATED [ChemIDplus] synonym: "2-Amino-3-methylbutyric acid" RELATED [KEGG_COMPOUND] synonym: "L-(+)-alpha-Aminoisovaleric acid" RELATED [HMDB] synonym: "L-alpha-Amino-beta-methylbutyric acid" RELATED [HMDB] synonym: "L-Valin" RELATED [ChEBI] synonym: "L-Valine" EXACT [KEGG_COMPOUND] synonym: "L-valine" EXACT IUPAC_NAME [IUPAC] synonym: "V" RELATED [ChEBI] synonym: "Val" RELATED [ChEBI] synonym: "VALINE" RELATED [PDBeChem] xref: Beilstein:1721136 {source="Beilstein"} xref: CAS:72-18-4 {source="ChemIDplus"} xref: CAS:72-18-4 {source="NIST Chemistry WebBook"} xref: CAS:72-18-4 {source="KEGG COMPOUND"} xref: Drug_Central:4128 {source="DrugCentral"} xref: DrugBank:DB00161 xref: Gmelin:2827 {source="Gmelin"} xref: HMDB:HMDB0000883 xref: KEGG:C00183 xref: KEGG:D00039 xref: KNApSAcK:C00001398 xref: MetaCyc:VAL xref: PDBeChem:VAL xref: PMID:14608070 {source="Europe PMC"} xref: PMID:17670823 {source="Europe PMC"} xref: PMID:21706252 {source="Europe PMC"} xref: PMID:22138982 {source="Europe PMC"} xref: PMID:22287678 {source="Europe PMC"} xref: PMID:22585822 {source="Europe PMC"} xref: Reaxys:1721136 {source="Reaxys"} xref: Wikipedia:L-valine is_a: CHEBI:26463 ! pyruvate family amino acid is_a: CHEBI:27266 ! valine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32851 ! L-valinate relationship: is_conjugate_base_of CHEBI:32852 ! L-valinium relationship: is_enantiomer_of CHEBI:27477 ! D-valine relationship: is_tautomer_of CHEBI:57762 ! L-valine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:164200 name: triclosan namespace: chebi_ontology alt_id: CHEBI:29697 alt_id: CHEBI:47700 def: "An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes." [] subset: 3_STAR synonym: "2,4,4'-Trichloro-2'-hydroxydiphenyl ether" RELATED [ChemIDplus] synonym: "5-Chloro-2-(2,4-dichloro-phenoxy)-phenol" RELATED [ChEMBL] synonym: "5-chloro-2-(2,4-dichlorophenoxy)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "Triclosan" EXACT [KEGG_COMPOUND] synonym: "triclosan" RELATED INN [ChemIDplus] synonym: "triclosan" RELATED INN [WHO_MedNet] synonym: "triclosanum" RELATED INN [ChemIDplus] xref: Beilstein:2057142 {source="Beilstein"} xref: CAS:3380-34-5 {source="KEGG COMPOUND"} xref: CAS:3380-34-5 {source="ChemIDplus"} xref: Drug_Central:3631 {source="DrugCentral"} xref: DrugBank:DB08604 xref: KEGG:C12059 xref: KEGG:D06226 xref: LINCS:LSM-2929 xref: Patent:NL6401526 xref: Patent:US3506720 xref: Patent:US3629477 xref: PDBeChem:TCL xref: PMID:11175846 {source="Europe PMC"} xref: PMID:11418506 {source="Europe PMC"} xref: PMID:15269185 {source="Europe PMC"} xref: PMID:17567585 {source="Europe PMC"} xref: PMID:18837732 {source="Europe PMC"} xref: PMID:18937596 {source="Europe PMC"} xref: PMID:19388793 {source="Europe PMC"} xref: PMID:21094257 {source="Europe PMC"} xref: PMID:21166831 {source="Europe PMC"} xref: PMID:21833630 {source="Europe PMC"} xref: PMID:22105314 {source="Europe PMC"} xref: PMID:22561896 {source="Europe PMC"} xref: PMID:22746545 {source="Europe PMC"} xref: PMID:23146048 {source="Europe PMC"} xref: PMID:23161706 {source="Europe PMC"} xref: PMID:23192912 {source="Europe PMC"} xref: PMID:23282071 {source="Europe PMC"} xref: PMID:23313217 {source="Europe PMC"} xref: PMID:23320506 {source="Europe PMC"} xref: PMID:23368947 {source="Europe PMC"} xref: PMID:23435526 {source="Europe PMC"} xref: PMID:23561013 {source="Europe PMC"} xref: PMID:23592331 {source="Europe PMC"} xref: PMID:23614034 {source="Europe PMC"} xref: PMID:23648333 {source="Europe PMC"} xref: PMID:23791346 {source="Europe PMC"} xref: PMID:23831729 {source="Europe PMC"} xref: PMID:23890965 {source="Europe PMC"} xref: PMID:23927454 {source="Europe PMC"} xref: PMID:24079913 {source="Europe PMC"} xref: PMID:25179274 {source="Europe PMC"} xref: PMID:28236114 {source="Europe PMC"} xref: PMID:28339349 {source="Europe PMC"} xref: PMID:28632490 {source="Europe PMC"} xref: PMID:28741979 {source="Europe PMC"} xref: PMID:29030459 {source="Europe PMC"} xref: PMID:29067681 {source="Europe PMC"} xref: PMID:29100157 {source="Europe PMC"} xref: PMID:29109308 {source="Europe PMC"} xref: PMID:29111213 {source="Europe PMC"} xref: PMID:29111444 {source="Europe PMC"} xref: PMID:29131715 {source="Europe PMC"} xref: PMID:29150338 {source="Europe PMC"} xref: PMID:29154092 {source="Europe PMC"} xref: PMID:29172042 {source="Europe PMC"} xref: PMID:29175687 {source="Europe PMC"} xref: PMID:29197580 {source="Europe PMC"} xref: PMID:29205483 {source="Europe PMC"} xref: PMID:29214481 {source="Europe PMC"} xref: PMID:29232866 {source="Europe PMC"} xref: PMID:29277667 {source="Europe PMC"} xref: PMID:29332277 {source="Europe PMC"} xref: PMID:29340711 {source="Europe PMC"} xref: PMID:29348637 {source="Europe PMC"} xref: Reaxys:2057142 {source="Reaxys"} xref: Wikipedia:Triclosan is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:33853 ! phenols is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:139512 ! EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38068 ! antimalarial relationship: has_role CHEBI:50683 ! EC 1.5.1.3 (dihydrofolate reductase) inhibitor relationship: has_role CHEBI:77853 ! persistent organic pollutant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEFQLINVKFYRCS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "289.54200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.95116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:16449 name: alanine namespace: chebi_ontology alt_id: CHEBI:13748 alt_id: CHEBI:22277 alt_id: CHEBI:2539 def: "An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "A" RELATED [ChEBI] synonym: "ALA" RELATED [ChEBI] synonym: "Alanin" RELATED [ChEBI] synonym: "alanina" RELATED [ChEBI] synonym: "Alanine" EXACT [KEGG_COMPOUND] synonym: "alanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:635807 {source="Beilstein"} xref: CAS:302-72-7 {source="ChemIDplus"} xref: CAS:302-72-7 {source="NIST Chemistry WebBook"} xref: CAS:302-72-7 {source="KEGG COMPOUND"} xref: Drug_Central:4306 {source="DrugCentral"} xref: Gmelin:2449 {source="Gmelin"} xref: KEGG:C01401 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:635807 {source="Reaxys"} xref: Wikipedia:Alanine is_a: CHEBI:33704 ! alpha-amino acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32439 ! alaninate relationship: is_conjugate_base_of CHEBI:32440 ! alaninium relationship: is_tautomer_of CHEBI:66916 ! alanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(N)C(O)=O" xsd:string [Term] id: CHEBI:16454 name: pantothenate namespace: chebi_ontology alt_id: CHEBI:14739 alt_id: CHEBI:25846 def: "A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate" RELATED [ChEBI] synonym: "pantothenate" EXACT [UniProt] xref: PMID:21463532 {source="Europe PMC"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_base_of CHEBI:7916 ! pantothenic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.22700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.10340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)C(O)C(=O)NCCC([O-])=O" xsd:string [Term] id: CHEBI:16467 name: L-arginine namespace: chebi_ontology alt_id: CHEBI:13077 alt_id: CHEBI:21235 alt_id: CHEBI:42927 alt_id: CHEBI:6185 def: "An L-alpha-amino acid that is the L-isomer of arginine." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "(2S)-2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "(S)-2-amino-5-guanidinopentanoic acid" RELATED [ChEBI] synonym: "(S)-2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Arg" RELATED [DrugBank] synonym: "arginine" RELATED INN [KEGG_DRUG] synonym: "L-(+)-arginine" RELATED [NIST_Chemistry_WebBook] synonym: "L-Arg" RELATED [DrugBank] synonym: "L-Arginin" RELATED [ChEBI] synonym: "L-Arginine" EXACT [KEGG_COMPOUND] synonym: "L-arginine" EXACT IUPAC_NAME [IUPAC] synonym: "R" RELATED [MetaCyc] xref: Beilstein:1725413 {source="ChemIDplus"} xref: CAS:74-79-3 {source="KEGG COMPOUND"} xref: CAS:74-79-3 {source="NIST Chemistry WebBook"} xref: CAS:74-79-3 {source="ChemIDplus"} xref: Drug_Central:1549 {source="DrugCentral"} xref: DrugBank:DB00125 xref: ECMDB:ECMDB00517 xref: Gmelin:83283 {source="Gmelin"} xref: HMDB:HMDB0000517 xref: KEGG:C00062 xref: KEGG:D02982 xref: KNApSAcK:C00001340 xref: MetaCyc:ARG xref: PDBeChem:ARG xref: PDBeChem:GND xref: PMID:10848923 {source="Europe PMC"} xref: PMID:11139824 {source="Europe PMC"} xref: PMID:11300497 {source="Europe PMC"} xref: PMID:11898853 {source="Europe PMC"} xref: PMID:12812828 {source="Europe PMC"} xref: PMID:15016745 {source="Europe PMC"} xref: PMID:15465805 {source="Europe PMC"} xref: PMID:16056256 {source="Europe PMC"} xref: PMID:16416365 {source="Europe PMC"} xref: PMID:17168727 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:19030957 {source="Europe PMC"} xref: PMID:21600268 {source="Europe PMC"} xref: PMID:21814794 {source="Europe PMC"} xref: PMID:22179117 {source="Europe PMC"} xref: PMID:22243793 {source="Europe PMC"} xref: PMID:22251130 {source="Europe PMC"} xref: PMID:22361732 {source="Europe PMC"} xref: PMID:22425811 {source="Europe PMC"} xref: PMID:22428068 {source="Europe PMC"} xref: PMID:22439203 {source="Europe PMC"} xref: PMID:22553931 {source="Europe PMC"} xref: PMID:22619480 {source="Europe PMC"} xref: PMID:22626826 {source="Europe PMC"} xref: PMID:22652429 {source="Europe PMC"} xref: PMID:22667467 {source="Europe PMC"} xref: PMID:22709481 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:1725413 {source="Reaxys"} xref: Wikipedia:L-arginine xref: YMDB:YMDB00592 is_a: CHEBI:24318 ! glutamine family amino acid is_a: CHEBI:29016 ! arginine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:32681 ! L-argininate relationship: is_conjugate_base_of CHEBI:32682 ! L-argininium(1+) relationship: is_enantiomer_of CHEBI:15816 ! D-arginine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.11168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCCNC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:16469 name: 17beta-estradiol namespace: chebi_ontology alt_id: CHEBI:14219 alt_id: CHEBI:23963 alt_id: CHEBI:42475 alt_id: CHEBI:4864 def: "The 17beta-isomer of estradiol." [] subset: 3_STAR synonym: "(17beta)-estra-1,3,5(10)-triene-3,17-diol" RELATED [ChemIDplus] synonym: "17beta oestradiol" RELATED [ChEBI] synonym: "17beta-estra-1,3,5(10)-triene-3,17-diol" RELATED [NIST_Chemistry_WebBook] synonym: "17beta-estradiol" EXACT [UniProt] synonym: "17beta-estradiol" EXACT [NIST_Chemistry_WebBook] synonym: "17beta-oestradiol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-Estradiol" RELATED [KEGG_COMPOUND] synonym: "cis-estradiol" RELATED [NIST_Chemistry_WebBook] synonym: "estra-1,3,5(10)-triene-3,17beta-diol" EXACT IUPAC_NAME [IUPAC] synonym: "ESTRADIOL" RELATED [PDBeChem] synonym: "Estradiol" RELATED [KEGG_COMPOUND] synonym: "Estradiol-17beta" RELATED [KEGG_COMPOUND] xref: Beilstein:1914275 {source="Beilstein"} xref: CAS:50-28-2 {source="KEGG COMPOUND"} xref: CAS:50-28-2 {source="NIST Chemistry WebBook"} xref: CAS:50-28-2 {source="ChemIDplus"} xref: Chemspider:5554 xref: Drug_Central:1057 {source="DrugCentral"} xref: DrugBank:DB00783 xref: Gmelin:290805 {source="Gmelin"} xref: HMDB:HMDB0000151 xref: KEGG:C00951 xref: KEGG:D00105 xref: LINCS:LSM-2421 xref: LIPID_MAPS_instance:LMST02010001 {source="LIPID MAPS"} xref: PDBeChem:EST xref: PMID:10438974 {source="Europe PMC"} xref: PMID:10585175 {source="Europe PMC"} xref: PMID:10843196 {source="Europe PMC"} xref: PMID:11703424 {source="Europe PMC"} xref: PMID:14681337 {source="Europe PMC"} xref: PMID:16313478 {source="Europe PMC"} xref: PMID:17124377 {source="Europe PMC"} xref: PMID:1777462 {source="Europe PMC"} xref: PMID:23901460 {source="Europe PMC"} xref: PMID:24134630 {source="Europe PMC"} xref: PMID:24449492 {source="Europe PMC"} xref: PMID:3621671 {source="Europe PMC"} xref: PMID:8098802 {source="Europe PMC"} xref: PMID:8567793 {source="Europe PMC"} xref: Reaxys:1914275 {source="Reaxys"} xref: Wikipedia:Estradiol is_a: CHEBI:23965 ! estradiol is_a: CHEBI:35343 ! 17beta-hydroxy steroid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:62872 ! EC 1.2.3.1 (aldehyde oxidase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VOXZDWNPVJITMN-ZBRFXRBCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.38200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21" xsd:string [Term] id: CHEBI:16472 name: pentan-2-one namespace: chebi_ontology alt_id: CHEBI:14748 alt_id: CHEBI:25886 alt_id: CHEBI:7978 def: "A pentanone carrying an oxo substituent at position 2." [] subset: 3_STAR synonym: "2-Pentanone" RELATED [KEGG_COMPOUND] synonym: "2-pentanone" RELATED [ChEBI] synonym: "Methyl propyl ketone" RELATED [KEGG_COMPOUND] synonym: "Pentan-2-one" EXACT [KEGG_COMPOUND] synonym: "pentan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "pentan-2-one" EXACT [UniProt] xref: AGR:IND500714276 {source="Europe PMC"} xref: CAS:107-87-9 {source="NIST Chemistry WebBook"} xref: CAS:107-87-9 {source="KEGG COMPOUND"} xref: CAS:107-87-9 {source="ChemIDplus"} xref: HMDB:HMDB0034235 xref: KEGG:C01949 xref: LIPID_MAPS_instance:LMFA12000003 {source="LIPID MAPS"} xref: MetaCyc:PENTAN-2-ONE xref: PDBeChem:PNH xref: PMID:22364569 {source="Europe PMC"} xref: Reaxys:506058 {source="Reaxys"} xref: Wikipedia:Pentan-2-one is_a: CHEBI:25892 ! pentanone is_a: CHEBI:51867 ! methyl ketone relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNLICIUVMPYHGG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.13230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(C)=O" xsd:string [Term] id: CHEBI:16480 name: nitric oxide namespace: chebi_ontology alt_id: CHEBI:14657 alt_id: CHEBI:25546 alt_id: CHEBI:44452 alt_id: CHEBI:7583 def: "A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom." [] subset: 3_STAR synonym: "(.)NO" RELATED [ChEBI] synonym: "(NO)(.)" RELATED [IUPAC] synonym: "[NO]" RELATED [MolBase] synonym: "EDRF" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor" RELATED [ChEBI] synonym: "mononitrogen monoxide" RELATED [ChemIDplus] synonym: "monoxido de nitrogeno" RELATED [ChEBI] synonym: "monoxyde d'azote" RELATED [ChEBI] synonym: "Nitric oxide" EXACT [KEGG_COMPOUND] synonym: "nitric oxide" EXACT [UniProt] synonym: "nitrogen monooxide" RELATED [IUPAC] synonym: "Nitrogen monoxide" RELATED [KEGG_COMPOUND] synonym: "nitrogen monoxide" RELATED [IUPAC] synonym: "nitrosyl" RELATED [IUPAC] synonym: "NO" RELATED [KEGG_COMPOUND] synonym: "NO(.)" RELATED [IUPAC] synonym: "oxido de nitrogeno(II)" RELATED [ChEBI] synonym: "oxido nitrico" RELATED [ChEBI] synonym: "oxidonitrogen(.)" EXACT IUPAC_NAME [IUPAC] synonym: "oxoazanyl" EXACT IUPAC_NAME [IUPAC] synonym: "oxyde azotique" RELATED [ChEBI] synonym: "oxyde nitrique" RELATED [ChEBI] synonym: "Stickstoff(II)-oxid" RELATED [ChEBI] synonym: "Stickstoffmonoxid" RELATED [ChEBI] xref: CAS:10102-43-9 {source="KEGG COMPOUND"} xref: CAS:10102-43-9 {source="NIST Chemistry WebBook"} xref: CAS:10102-43-9 {source="ChemIDplus"} xref: DrugBank:DB00435 xref: Gmelin:451 {source="Gmelin"} xref: KEGG:C00533 xref: KEGG:D00074 xref: MolBase:943 xref: PDBeChem:NO xref: Reaxys:3587257 {source="Reaxys"} xref: Wikipedia:Nitric_oxide is_a: CHEBI:35196 ! nitrogen oxide is_a: CHEBI:36871 ! inorganic radical is_a: CHEBI:62764 ! reactive nitrogen species relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35523 ! bronchodilator agent relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO/c1-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWUXSHHQAYIFBG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.00614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N]=O" xsd:string [Term] id: CHEBI:16482 name: naphthalene namespace: chebi_ontology alt_id: CHEBI:14638 alt_id: CHEBI:25469 alt_id: CHEBI:44619 alt_id: CHEBI:7472 def: "An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia." [] subset: 3_STAR synonym: "naftaleno" RELATED [ChEBI] synonym: "naftalina" RELATED [ChEBI] synonym: "naphtalene" RELATED [ChEBI] synonym: "naphtaline" RELATED [ChEBI] synonym: "Naphthalen" RELATED [ChEBI] synonym: "NAPHTHALENE" EXACT [PDBeChem] synonym: "Naphthalene" EXACT [KEGG_COMPOUND] synonym: "naphthalene" EXACT [UniProt] synonym: "naphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "Naphthalin" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1421310 {source="Beilstein"} xref: CAS:91-20-3 {source="ChemIDplus"} xref: CAS:91-20-3 {source="KEGG COMPOUND"} xref: CAS:91-20-3 {source="NIST Chemistry WebBook"} xref: Gmelin:3347 {source="Gmelin"} xref: HMDB:HMDB0029751 xref: KEGG:C00829 xref: KNApSAcK:C00001259 xref: MetaCyc:NAPHTHALENE xref: PDBeChem:NPY xref: PMID:10814889 {source="Europe PMC"} xref: PMID:11202734 {source="Europe PMC"} xref: PMID:16220979 {source="Europe PMC"} xref: PMID:16699520 {source="Europe PMC"} xref: PMID:17850896 {source="Europe PMC"} xref: PMID:26875834 {source="Europe PMC"} xref: PMID:26895256 {source="Europe PMC"} xref: PMID:27439360 {source="Europe PMC"} xref: PPDB:1312 xref: Reaxys:1421310 {source="Reaxys"} xref: UM-BBD_compID:c0333 {source="UM-BBD"} xref: Wikipedia:Naphthalene is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:35426 ! ortho-fused bicyclic arene relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:68494 ! apoptosis inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFWIBTONFRDIAS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.17052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:16494 name: lipoic acid namespace: chebi_ontology alt_id: CHEBI:146958 alt_id: CHEBI:25058 alt_id: CHEBI:6492 def: "A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position." [] subset: 3_STAR synonym: "1,2-dithiolane-3-pentanoic acid" RELATED [ChEBI] synonym: "1,2-dithiolane-3-valeric acid" RELATED [ChEBI] synonym: "5-(1,2-dithiolan-3-yl)pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5-(1,2-dithiolan-3-yl)valeric acid" RELATED [ChEBI] synonym: "5-(dithiolan-3-yl)valeric acid" RELATED [ChEBI] synonym: "5-[3-(1,2-dithiolanyl)]pentanoic acid" RELATED [ChEBI] synonym: "6,8-thioctic acid" RELATED [ChEBI] synonym: "6,8-thiotic acid" RELATED [ChEBI] synonym: "6-thioctic acid" RELATED [ChEBI] synonym: "6-thiotic acid" RELATED [ChEBI] synonym: "Acetate-replacing factor" RELATED [ChemIDplus] synonym: "alpha-Lipoic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-lipoic acid" RELATED [ChEBI] synonym: "alpha-lipoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Liponsaeure" RELATED [ChemIDplus] synonym: "Biletan" RELATED [ChemIDplus] synonym: "Lipoic acid" EXACT [KEGG_COMPOUND] synonym: "liponic acid" RELATED [ChEBI] synonym: "Thioctansaeure" RELATED [ChEBI] synonym: "Thioctic acid" RELATED [KEGG_COMPOUND] synonym: "Thioctsaeure" RELATED [ChEBI] synonym: "Thioktsaeure" RELATED [ChEBI] xref: Beilstein:122410 {source="Beilstein"} xref: Beilstein:81853 {source="Beilstein"} xref: CAS:62-46-4 {source="KEGG COMPOUND"} xref: CAS:62-46-4 {source="ChemIDplus"} xref: CAS:62-46-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:4732 {source="DrugCentral"} xref: DrugBank:DB00166 xref: ECMDB:ECMDB01451 xref: Gmelin:720915 {source="Gmelin"} xref: KEGG:C00725 xref: KEGG:D00086 xref: PMID:15328413 {source="Europe PMC"} xref: PMID:7519986 {source="Europe PMC"} xref: PMID:7548757 {source="Europe PMC"} xref: Reaxys:81853 {source="Reaxys"} xref: Wikipedia:Lipoic_acid xref: YMDB:YMDB00334 is_a: CHEBI:39192 ! dithiolanes is_a: CHEBI:48847 ! heterocyclic fatty acid is_a: CHEBI:59643 ! thia fatty acid relationship: has_functional_parent CHEBI:28837 ! octanoic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:30313 ! lipoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGBQKNBQESQNJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.32756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.04352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCCC1CCSS1" xsd:string [Term] id: CHEBI:16503 name: selane namespace: chebi_ontology alt_id: CHEBI:24638 alt_id: CHEBI:47675 alt_id: CHEBI:9089 subset: 3_STAR synonym: "[SeH2]" RELATED [IUPAC] synonym: "dihydridoselenium" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen selenide" EXACT IUPAC_NAME [IUPAC] synonym: "H2Se" RELATED [IUPAC] synonym: "Hydrogen selenide" RELATED [KEGG_COMPOUND] synonym: "hydrogen selenide" EXACT IUPAC_NAME [IUPAC] synonym: "hydroselenic acid" RELATED [UM-BBD] synonym: "selane" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-07-5 {source="NIST Chemistry WebBook"} xref: CAS:7783-07-5 {source="ChemIDplus"} xref: KEGG:C01528 xref: UM-BBD_compID:c0745 {source="UM-BBD"} is_a: CHEBI:36903 ! selenium hydride is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:29317 ! selanide relationship: is_conjugate_base_of CHEBI:30485 ! selenonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2Se/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPVXKVOXSXTJOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.97588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.93217" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Se][H]" xsd:string [Term] id: CHEBI:16510 name: 3-hydroxypropionate namespace: chebi_ontology alt_id: CHEBI:11836 alt_id: CHEBI:20079 def: "A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid." [] subset: 3_STAR synonym: "3-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxypropanoate" RELATED [UniProt] synonym: "3-Hydroxypropionate" EXACT [KEGG_COMPOUND] synonym: "beta-hydroxypropionate" RELATED [ChEBI] xref: Beilstein:3903725 {source="Beilstein"} xref: Gmelin:324424 {source="Gmelin"} xref: KEGG:C01013 xref: Reaxys:3903725 {source="Reaxys"} is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:33404 ! 3-hydroxypropionic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ALRHLSYJTWAHJZ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCC([O-])=O" xsd:string [Term] id: CHEBI:16526 name: carbon dioxide namespace: chebi_ontology alt_id: CHEBI:13282 alt_id: CHEBI:13283 alt_id: CHEBI:13284 alt_id: CHEBI:13285 alt_id: CHEBI:23011 alt_id: CHEBI:3283 alt_id: CHEBI:48829 def: "A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food." [] comment: LanguaL term definition: Food additive; technological purpose(s): carbonating agent, packaging gas, preservative, propellant. subset: 3_STAR synonym: "[CO2]" RELATED [MolBase] synonym: "CARBON DIOXIDE" EXACT [PDBeChem] synonym: "Carbon dioxide" EXACT [KEGG_COMPOUND] synonym: "carbon dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "carbonic anhydride" RELATED [UM-BBD] synonym: "CO2" RELATED [UniProt] synonym: "CO2" RELATED [KEGG_COMPOUND] synonym: "dioxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "E 290" RELATED [ChEBI] synonym: "E-290" RELATED [ChEBI] synonym: "E290" RELATED [ChEBI] synonym: "methanedione" EXACT IUPAC_NAME [IUPAC] synonym: "R-744" RELATED [ChEBI] xref: Beilstein:1900390 {source="Beilstein"} xref: CAS:124-38-9 {source="ChemIDplus"} xref: CAS:124-38-9 {source="NIST Chemistry WebBook"} xref: CAS:124-38-9 {source="KEGG COMPOUND"} xref: Codex:\:290 xref: Drug_Central:4256 {source="DrugCentral"} xref: Europe:\:290 xref: Gmelin:989 {source="Gmelin"} xref: HMDB:HMDB0001967 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3059 xref: KEGG:C00011 xref: KEGG:D00004 xref: MetaCyc:CARBON-DIOXIDE xref: MolBase:752 xref: PDBeChem:CO2 xref: PMID:10826146 {source="Europe PMC"} xref: PMID:11094503 {source="Europe PMC"} xref: PMID:11584085 {source="Europe PMC"} xref: PMID:11802652 {source="Europe PMC"} xref: PMID:14639145 {source="Europe PMC"} xref: PMID:15050588 {source="Europe PMC"} xref: PMID:16591971 {source="Europe PMC"} xref: PMID:16656478 {source="Europe PMC"} xref: PMID:16659660 {source="Europe PMC"} xref: PMID:17190796 {source="Europe PMC"} xref: PMID:17448243 {source="Europe PMC"} xref: PMID:17878298 {source="Europe PMC"} xref: PMID:17884085 {source="Europe PMC"} xref: PMID:19043767 {source="Europe PMC"} xref: PMID:19259576 {source="Europe PMC"} xref: PMID:19854893 {source="Europe PMC"} xref: PMID:23384758 {source="Europe PMC"} xref: PMID:23828359 {source="Europe PMC"} xref: PMID:24258718 {source="Europe PMC"} xref: PMID:8482095 {source="Europe PMC"} xref: PMID:8818713 {source="Europe PMC"} xref: PMID:8869828 {source="Europe PMC"} xref: PMID:9611769 {source="Europe PMC"} xref: PMID:9730350 {source="Europe PMC"} xref: PPDB:119 xref: Reaxys:1900390 {source="Reaxys"} xref: UM-BBD_compID:c0131 {source="UM-BBD"} xref: Wikipedia:Carbon_dioxide is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:23014 ! carbon oxide is_a: CHEBI:64708 ! one-carbon compound is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38867 ! anaesthetic relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:48706 ! antagonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76413 ! greenhouse gas relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:77974 ! food packaging gas relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CO2/c2-1-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CURLTUGMZLYLDI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=O" xsd:string property_value: IAO:0000118 "carbon dioxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16541 name: protein polypeptide chain namespace: chebi_ontology alt_id: CHEBI:8526 def: "A naturally occurring polypeptide synthesized at the ribosome." [] subset: 3_STAR synonym: "a protein" RELATED [UniProt] synonym: "polypeptide chain" RELATED [ChEBI] synonym: "Protein" RELATED [KEGG_COMPOUND] synonym: "protein polypeptide chains" RELATED [ChEBI] xref: KEGG:C00017 is_a: CHEBI:15841 ! polypeptide relationship: has_part CHEBI:33700 ! proteinogenic amino-acid residue [Term] id: CHEBI:16548 name: chlordecone namespace: chebi_ontology alt_id: CHEBI:13968 alt_id: CHEBI:23110 alt_id: CHEBI:3609 def: "An organochlorine compound with insecticidal activity." [] subset: 3_STAR synonym: "1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one" RELATED [IUPAC] synonym: "Chlordecone" EXACT [KEGG_COMPOUND] synonym: "chlordecone" EXACT [UniProt] synonym: "decachloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decan-4-one" RELATED [ChemIDplus] synonym: "GC 1189" RELATED [ChemIDplus] synonym: "Kepone" RELATED [KEGG_COMPOUND] synonym: "perchloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one" RELATED [ChemIDplus] xref: AGR:IND44714295 {source="Europe PMC"} xref: Beilstein:1894593 {source="Beilstein"} xref: CAS:143-50-0 {source="ChemIDplus"} xref: CAS:143-50-0 {source="KEGG COMPOUND"} xref: CAS:143-50-0 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0059603 xref: KEGG:C01792 xref: LINCS:LSM-36918 xref: Patent:US2616825 xref: Patent:US2616928 xref: PMID:19167793 {source="Europe PMC"} xref: PMID:20566993 {source="Europe PMC"} xref: PMID:21852857 {source="Europe PMC"} xref: PMID:22683396 {source="Europe PMC"} xref: PMID:23706897 {source="Europe PMC"} xref: PMID:23827360 {source="Europe PMC"} xref: PMID:24401561 {source="Europe PMC"} xref: PPDB:1293 xref: Reaxys:1894593 {source="Reaxys"} xref: Wikipedia:Kepone is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:3992 ! cyclic ketone relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10Cl10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LHHGDZSESBACKH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "490.63340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "485.68344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl" xsd:string [Term] id: CHEBI:16551 name: alpha,alpha-trehalose namespace: chebi_ontology alt_id: CHEBI:10202 alt_id: CHEBI:12281 alt_id: CHEBI:12284 alt_id: CHEBI:12287 alt_id: CHEBI:15251 alt_id: CHEBI:22365 alt_id: CHEBI:46211 def: "A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon." [] subset: 3_STAR synonym: "(Glc)2" RELATED [KEGG_GLYCAN] synonym: "alpha,alpha'-Trehalose" RELATED [KEGG_COMPOUND] synonym: "alpha,alpha-Trehalose" EXACT [KEGG_COMPOUND] synonym: "alpha,alpha-trehalose" EXACT [UniProt] synonym: "alpha-D-Glcp-(1<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "alpha-D-glucopyranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl-alpha-D-glucopyranoside" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-D-Trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "D-(+)-trehalose" RELATED [NIST_Chemistry_WebBook] synonym: "ergot sugar" RELATED [NIST_Chemistry_WebBook] synonym: "mycose" RELATED [NIST_Chemistry_WebBook] synonym: "TREHALOSE" RELATED [PDBeChem] synonym: "Trehalose" RELATED [KEGG_COMPOUND] xref: Beilstein:1292766 {source="Beilstein"} xref: CAS:99-20-7 {source="KEGG COMPOUND"} xref: CAS:99-20-7 {source="ChemIDplus"} xref: CAS:99-20-7 {source="NIST Chemistry WebBook"} xref: Gmelin:2145829 {source="Gmelin"} xref: HMDB:HMDB0000975 xref: KEGG:C01083 xref: KEGG:G00293 xref: KNApSAcK:C00001152 xref: LINCS:LSM-37121 xref: MetaCyc:TREHALOSE xref: PDBeChem:TRE xref: PMID:17439666 {source="Europe PMC"} xref: PMID:20477758 {source="Europe PMC"} xref: Reaxys:1292766 {source="Reaxys"} xref: Wikipedia:Trehalose is_a: CHEBI:27082 ! trehalose relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HDTRYLNUVZCQOY-LIZSDCNHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:16555 name: ethanethioic S-acid namespace: chebi_ontology alt_id: CHEBI:9547 def: "A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom." [] subset: 3_STAR synonym: "acetyl mercaptan" RELATED [NIST_Chemistry_WebBook] synonym: "CH3COSH" RELATED [NIST_Chemistry_WebBook] synonym: "ethanethioic S-acid" EXACT IUPAC_NAME [IUPAC] synonym: "Thioacetic acid" RELATED [KEGG_COMPOUND] synonym: "thioacetic S-acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:773684 {source="Beilstein"} xref: CAS:507-09-5 {source="ChemIDplus"} xref: CAS:507-09-5 {source="NIST Chemistry WebBook"} xref: CAS:507-09-5 {source="KEGG COMPOUND"} xref: Gmelin:49262 {source="Gmelin"} xref: KEGG:C01857 xref: PMID:23298036 {source="Europe PMC"} xref: Reaxys:773684 {source="Reaxys"} is_a: CHEBI:26952 ! thioacetic acid relationship: is_tautomer_of CHEBI:46800 ! ethanethioic O-acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUYAAUVXQSMXQP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.11856" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.99829" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(S)=O" xsd:string [Term] id: CHEBI:16573 name: carbonyl sulfide namespace: chebi_ontology alt_id: CHEBI:13943 alt_id: CHEBI:23021 alt_id: CHEBI:3402 def: "A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds." [] subset: 3_STAR synonym: "C(O)S" RELATED [IUPAC] synonym: "carbon oxide sulfide" RELATED [ChEBI] synonym: "Carbonyl sulfide" EXACT [KEGG_COMPOUND] synonym: "carbonyl sulfide" EXACT [UniProt] synonym: "carbonyl sulfide" EXACT IUPAC_NAME [IUPAC] synonym: "carbonyl sulphide" RELATED [ChEBI] synonym: "O=C=S" RELATED [ChEBI] synonym: "oxidosulfidocarbon" EXACT IUPAC_NAME [IUPAC] xref: CAS:463-58-1 {source="ChemIDplus"} xref: CAS:463-58-1 {source="NIST Chemistry WebBook"} xref: CAS:463-58-1 {source="KEGG COMPOUND"} xref: KEGG:C07331 xref: Reaxys:1697284 {source="Reaxys"} xref: UM-BBD_compID:c0562 {source="UM-BBD"} xref: Wikipedia:Carbonyl_sulfide is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:64708 ! one-carbon compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/COS/c2-1-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JJWKPURADFRFRB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.07610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.96699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=S" xsd:string [Term] id: CHEBI:16579 name: anisole namespace: chebi_ontology alt_id: CHEBI:13835 alt_id: CHEBI:22564 alt_id: CHEBI:2736 def: "A monomethoxybenzene that is benzene substituted by a methoxy group." [] subset: 3_STAR synonym: "Anisol" RELATED [NIST_Chemistry_WebBook] synonym: "Anisole" EXACT [KEGG_COMPOUND] synonym: "anisole" EXACT [UniProt] synonym: "anisole" EXACT IUPAC_NAME [IUPAC] synonym: "Methoxybenzene" RELATED [KEGG_COMPOUND] synonym: "Methyl phenyl ether" RELATED [KEGG_COMPOUND] synonym: "Phenol methyl ether" RELATED [KEGG_COMPOUND] xref: Beilstein:506892 {source="Beilstein"} xref: CAS:100-66-3 {source="ChemIDplus"} xref: CAS:100-66-3 {source="NIST Chemistry WebBook"} xref: CAS:100-66-3 {source="KEGG COMPOUND"} xref: Gmelin:2964 {source="Gmelin"} xref: HMDB:HMDB0033895 xref: KEGG:C01403 xref: MetaCyc:CPD-395 xref: PMID:11944828 {source="Europe PMC"} xref: PMID:24814399 {source="Europe PMC"} xref: Reaxys:506892 {source="Reaxys"} xref: Wikipedia:Anisole is_a: CHEBI:25235 ! monomethoxybenzene relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RDOXTESZEPMUJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.13782" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1" xsd:string [Term] id: CHEBI:16598 name: DDE namespace: chebi_ontology alt_id: CHEBI:11130 alt_id: CHEBI:18851 alt_id: CHEBI:474 def: "A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2." [] subset: 3_STAR synonym: "1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene" RELATED [KEGG_COMPOUND] synonym: "1,1-dichloro-2,2-bis(4'-chlorophenyl)ethylene" RELATED [ChEBI] synonym: "1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene" RELATED [KEGG_COMPOUND] synonym: "1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene" RELATED [UniProt] synonym: "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-DDE" RELATED [ChemIDplus] synonym: "DDE" EXACT [KEGG_COMPOUND] synonym: "p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene" RELATED [ChemIDplus] synonym: "p,p'-DDE" RELATED [ChemIDplus] xref: CAS:72-55-9 {source="KEGG COMPOUND"} xref: CAS:72-55-9 {source="ChemIDplus"} xref: KEGG:C04596 xref: PMID:11513126 {source="Europe PMC"} xref: PMID:15710169 {source="Europe PMC"} xref: PMID:24328540 {source="Europe PMC"} xref: Reaxys:1913355 {source="Reaxys"} xref: UM-BBD_compID:c0406 {source="UM-BBD"} xref: Wikipedia:Dichlorodiphenyldichloroethylene is_a: CHEBI:23155 ! chlorophenylethylene is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H8Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCNVFOCBFJOQAL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "318.02412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "315.93801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)C(=C(Cl)Cl)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:16602 name: trichloroethene namespace: chebi_ontology alt_id: CHEBI:15257 alt_id: CHEBI:27099 alt_id: CHEBI:9686 def: "A member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2." [] subset: 3_STAR synonym: "1,1,2-trichloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1-dichloro-2-chloroethylene" RELATED [ChemIDplus] synonym: "acetylene trichloride" RELATED [UM-BBD] synonym: "ethinyl trichloride" RELATED [UM-BBD] synonym: "ethylene trichloride" RELATED [UM-BBD] synonym: "Narcogen" RELATED [NIST_Chemistry_WebBook] synonym: "TCE" RELATED [KEGG_COMPOUND] synonym: "trichlor" RELATED [ChEBI] synonym: "Trichloraethen" RELATED [ChEBI] synonym: "Trichloraethylen" RELATED [ChEBI] synonym: "trichloraethylenum pro narcosi" RELATED [ChEBI] synonym: "trichlorethylene" RELATED [ChEBI] synonym: "Trichloroethene" EXACT [KEGG_COMPOUND] synonym: "trichloroethene" EXACT [UniProt] synonym: "Trichloroethylene" RELATED [KEGG_COMPOUND] synonym: "trichloroethylene" RELATED [ChEBI] synonym: "trichloroethylenum" RELATED [ChemIDplus] synonym: "triciene" RELATED [UM-BBD] xref: Beilstein:1736782 {source="ChemIDplus"} xref: CAS:79-01-6 {source="ChemIDplus"} xref: CAS:79-01-6 {source="NIST Chemistry WebBook"} xref: CAS:79-01-6 {source="KEGG COMPOUND"} xref: Drug_Central:3628 {source="DrugCentral"} xref: Gmelin:184631 {source="Gmelin"} xref: HMDB:HMDB0029593 xref: KEGG:C06790 xref: LINCS:LSM-37096 xref: PDBeChem:TCV xref: PMID:10459493 {source="Europe PMC"} xref: PMID:11280697 {source="Europe PMC"} xref: PMID:14780843 {source="Europe PMC"} xref: PMID:15019957 {source="Europe PMC"} xref: PMID:16641322 {source="Europe PMC"} xref: PMID:24517489 {source="Europe PMC"} xref: PMID:25278505 {source="Europe PMC"} xref: PMID:33930529 {source="Europe PMC"} xref: PMID:8319644 {source="Europe PMC"} xref: Reaxys:1736782 {source="Reaxys"} xref: UM-BBD_compID:c0009 {source="UM-BBD"} xref: Wikipedia:Trichloroethylene is_a: CHEBI:23142 ! chloroethenes relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HCl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSTXAVWGXDQKEL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.91438" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC=C(Cl)Cl" xsd:string [Term] id: CHEBI:16605 name: allyl alcohol namespace: chebi_ontology alt_id: CHEBI:13763 alt_id: CHEBI:19765 alt_id: CHEBI:2604 def: "A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds." [] subset: 3_STAR synonym: "2-Propen-1-ol" RELATED [KEGG_COMPOUND] synonym: "2-Propenol" RELATED [ChemIDplus] synonym: "2-Propenyl alcohol" RELATED [ChemIDplus] synonym: "3-Hydroxypropene" RELATED [ChemIDplus] synonym: "Allyl alcohol" EXACT [KEGG_COMPOUND] synonym: "allyl alcohol" EXACT [UniProt] synonym: "prop-2-en-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Vinyl carbinol" RELATED [ChemIDplus] synonym: "Vinylcarbinol" RELATED [ChemIDplus] xref: CAS:107-18-6 {source="ChemIDplus"} xref: CAS:107-18-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031652 xref: KEGG:C02001 xref: MetaCyc:ALLYL-ALCOHOL xref: PMID:18383315 {source="Europe PMC"} xref: PMID:24594943 {source="Europe PMC"} xref: PPDB:2698 xref: Reaxys:605307 {source="Reaxys"} xref: Wikipedia:Allyl_alcohol is_a: CHEBI:134394 ! primary allylic alcohol is_a: CHEBI:26300 ! propenol relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XXROGKLTLUQVRX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.07914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC=C" xsd:string [Term] id: CHEBI:16634 name: raffinose namespace: chebi_ontology alt_id: CHEBI:15015 alt_id: CHEBI:26521 alt_id: CHEBI:49843 alt_id: CHEBI:8771 def: "A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively." [] subset: 3_STAR synonym: "6G-alpha-D-galactosylsucrose" RELATED [KEGG_COMPOUND] synonym: "alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside" RELATED [JCBN] synonym: "alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf" RELATED [JCBN] synonym: "beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Gossypose" RELATED [KEGG_COMPOUND] synonym: "Melitose" RELATED [KEGG_COMPOUND] synonym: "Melitriose" RELATED [KEGG_COMPOUND] synonym: "Raffinose" EXACT [KEGG_COMPOUND] synonym: "raffinose" EXACT [UniProt] synonym: "rafinose" RELATED [ChEBI] synonym: "raflinose" RELATED [ChEBI] xref: CAS:512-69-6 {source="ChemIDplus"} xref: CAS:512-69-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003213 xref: KEGG:C00492 xref: KEGG:G00249 xref: KNApSAcK:C00001145 xref: MetaCyc:CPD-1099 xref: PDBeChem:RAF xref: PMID:23317449 {source="Europe PMC"} xref: PMID:23879777 {source="Europe PMC"} xref: PMID:23882273 {source="Europe PMC"} xref: PMID:24001862 {source="Europe PMC"} xref: PMID:24354450 {source="Europe PMC"} xref: PMID:24360500 {source="Europe PMC"} xref: Reaxys:99543 {source="Reaxys"} xref: Wikipedia:Raffinose is_a: CHEBI:27150 ! trisaccharide is_a: CHEBI:74961 ! raffinose family oligosaccharide relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUPFEKGTMRGPLJ-ZQSKZDJDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "504.43710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "504.16903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16646 name: carbohydrate namespace: chebi_ontology alt_id: CHEBI:15131 alt_id: CHEBI:23008 alt_id: CHEBI:9318 def: "Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates." [] subset: 3_STAR synonym: "a carbohydrate" RELATED [UniProt] synonym: "carbohidrato" RELATED [IUPAC] synonym: "carbohidratos" RELATED [IUPAC] synonym: "carbohydrate" EXACT IUPAC_NAME [IUPAC] synonym: "carbohydrates" EXACT IUPAC_NAME [IUPAC] synonym: "glucide" RELATED [ChEBI] synonym: "glucides" RELATED [ChEBI] synonym: "glucido" RELATED [ChEBI] synonym: "glucidos" RELATED [ChEBI] synonym: "hydrates de carbone" RELATED [ChEBI] synonym: "Kohlenhydrat" RELATED [ChEBI] synonym: "Kohlenhydrate" RELATED [ChEBI] synonym: "saccharide" RELATED [IUPAC] synonym: "saccharides" RELATED [IUPAC] synonym: "saccharidum" RELATED [ChEBI] xref: Wikipedia:Carbohydrate is_a: CDNO:0000001 ! dietary chemical component is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives is_a: FOODON:03420152 ! carbohydrate extract, concentrate, or isolate property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16648 name: dialkyl phosphate namespace: chebi_ontology alt_id: CHEBI:14137 alt_id: CHEBI:23664 alt_id: CHEBI:4486 subset: 3_STAR synonym: "dialkyl phosphates" RELATED [ChEBI] is_a: CHEBI:22324 ! alkyl phosphate relationship: is_conjugate_acid_of CHEBI:138518 ! dialkyl phosphate(1-) [Term] id: CHEBI:16651 name: (S)-lactate namespace: chebi_ontology alt_id: CHEBI:11065 alt_id: CHEBI:12411 alt_id: CHEBI:18783 def: "An optically active form of lactate having (S)-configuration." [] subset: 3_STAR synonym: "(+)-lactate" RELATED [ChEBI] synonym: "(2S)-2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-lactate" EXACT [UniProt] synonym: "L(+)-lactate" RELATED [ChEBI] synonym: "L-(+)-lactate" RELATED [ChEBI] synonym: "L-lactate" RELATED [UM-BBD] xref: Beilstein:4655977 {source="Beilstein"} xref: Gmelin:324523 {source="Gmelin"} xref: KEGG:C00186 xref: MetaCyc:L-LACTATE xref: Reaxys:4655977 {source="Reaxys"} xref: UM-BBD_compID:c0152 {source="UM-BBD"} is_a: CHEBI:24996 ! lactate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:422 ! (S)-lactic acid relationship: is_enantiomer_of CHEBI:16004 ! (R)-lactate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-REOHCLBHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](O)C([O-])=O" xsd:string [Term] id: CHEBI:16670 name: peptide namespace: chebi_ontology alt_id: CHEBI:14753 alt_id: CHEBI:25906 alt_id: CHEBI:7990 def: "Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc." [] subset: 3_STAR synonym: "Peptid" RELATED [ChEBI] synonym: "Peptide" EXACT [KEGG_COMPOUND] synonym: "peptides" EXACT IUPAC_NAME [IUPAC] synonym: "peptido" RELATED [ChEBI] synonym: "peptidos" RELATED [ChEBI] xref: KEGG:C00012 is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:50047 ! organic amino compound relationship: has_part CHEBI:33708 ! amino-acid residue relationship: is_tautomer_of CHEBI:60466 ! peptide zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C2H2NOR)nC2H3NOR" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:166831 name: copper chelator namespace: chebi_ontology def: "A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points." [] subset: 3_STAR synonym: "copper chelate" RELATED [ChEBI] synonym: "copper chelating agent" RELATED [ChEBI] synonym: "copper chelating agents" RELATED [ChEBI] synonym: "copper chelator" EXACT [ChEBI] synonym: "copper chelators" RELATED [ChEBI] xref: PMID:24934357 {source="Europe PMC"} xref: PMID:29710396 {source="Europe PMC"} is_a: CHEBI:38161 ! chelator [Term] id: CHEBI:16688 name: ecdysone namespace: chebi_ontology alt_id: CHEBI:14205 alt_id: CHEBI:23889 alt_id: CHEBI:4741 def: "A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone." [] subset: 3_STAR synonym: "(22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one" RELATED [IUPAC] synonym: "(22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one" RELATED [ChEBI] synonym: "(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "Ecdysone" EXACT [KEGG_COMPOUND] synonym: "ecdysone" EXACT [UniProt] xref: CAS:3604-87-3 {source="KEGG COMPOUND"} xref: KEGG:C00477 xref: KNApSAcK:C00003651 xref: LIPID_MAPS_instance:LMST01010210 {source="LIPID MAPS"} xref: PMID:19342482 {source="Europe PMC"} xref: PMID:22310011 {source="Europe PMC"} xref: PMID:22828514 {source="Europe PMC"} xref: PMID:23017214 {source="Europe PMC"} xref: PMID:23072462 {source="Europe PMC"} xref: Reaxys:2422986 {source="Reaxys"} xref: Wikipedia:Ecdysone is_a: CHEBI:23897 ! ecdysteroid is_a: CHEBI:35348 ! 3beta-sterol is_a: CHEBI:36859 ! 2beta-hydroxy steroid is_a: CHEBI:36861 ! 14alpha-hydroxy steroid is_a: CHEBI:36863 ! 22-hydroxy steroid is_a: CHEBI:36864 ! 25-hydroxy steroid is_a: CHEBI:36883 ! 6-oxo steroid relationship: has_parent_hydride CHEBI:35517 ! 5beta-cholestane relationship: has_role CHEBI:71212 ! prohormone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H44O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UPEZCKBFRMILAV-JMZLNJERSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "464.63466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "464.31379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O" xsd:string [Term] id: CHEBI:166881 name: poly(ethylene-co-vinyl acetate) namespace: chebi_ontology def: "An elastomeric copolymer of ethylene and vinyl acetate used to produce \"rubber-like\" materials." [] subset: 3_STAR synonym: "Baymod" RELATED BRAND_NAME [ChEBI] synonym: "Elvax" RELATED BRAND_NAME [ChEBI] synonym: "ethylene polymer with vinyl acetate" RELATED [ChemIDplus] synonym: "ethylene vinyl acetate" RELATED [ChEBI] synonym: "ethylene vinyl acetate copolymer" RELATED [ChemIDplus] synonym: "ethylene-vinyl acetate" RELATED [ChEBI] synonym: "ethylene-vinyl acetate copolymer" RELATED [ChemIDplus] synonym: "ethylene/VA copolymer" RELATED [ChemIDplus] synonym: "ethylene/vinyl acetate copolymer" RELATED [ChEBI] synonym: "ethylenevinylacetate copolymer" RELATED [ChemIDplus] synonym: "EVA" RELATED [ChEBI] synonym: "Levamelt" RELATED BRAND_NAME [ChEBI] synonym: "Levapren" RELATED BRAND_NAME [ChEBI] synonym: "Nipoflex" RELATED BRAND_NAME [ChEBI] synonym: "PEVA" RELATED [ChEBI] synonym: "poly(ethylene-co-vinyl acetate)" EXACT [ChEBI] synonym: "poly(ethylene-vinyl acetate)" RELATED [ChEBI] synonym: "vinyl acetate-ethylene copolymer" RELATED [ChemIDplus] xref: AGR:IND605253205 {source="Europe PMC"} xref: CAS:24937-78-8 {source="ChemIDplus"} xref: PMID:16053563 {source="Europe PMC"} xref: PMID:19031647 {source="Europe PMC"} xref: PMID:25242410 {source="Europe PMC"} xref: PMID:26635146 {source="Europe PMC"} xref: PMID:26875544 {source="Europe PMC"} xref: PMID:28294184 {source="Europe PMC"} xref: PMID:28789964 {source="Europe PMC"} xref: PMID:29660460 {source="Europe PMC"} xref: PMID:30223559 {source="Europe PMC"} xref: PMID:30440763 {source="Europe PMC"} xref: PMID:30769043 {source="Europe PMC"} xref: PMID:31032003 {source="Europe PMC"} xref: PMID:31974730 {source="Europe PMC"} xref: PMID:32507163 {source="Europe PMC"} xref: PMID:32759806 {source="Europe PMC"} xref: PMID:33092105 {source="Europe PMC"} xref: PMID:6527279 {source="Europe PMC"} xref: Wikipedia:Ethylene-vinyl_acetate is_a: CHEBI:60804 ! copolymer relationship: has_part CHEBI:18153 ! ethene relationship: has_part CHEBI:46916 ! vinyl acetate relationship: has_role CHEBI:79314 ! flame retardant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C2H4)x.(C4H6O2)y" xsd:string [Term] id: CHEBI:166890 name: phenolic acid namespace: chebi_ontology def: "Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function." [] subset: 2_STAR synonym: "phenolcarboxylic acids" RELATED [] xref: CAS:29656-58-4 xref: Wikipedia:https\://en.wikipedia.org/wiki/Phenolic_acid is_a: CDNO:0000013 ! plant secondary metabolite property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:166902 name: noradrenaline(1+) namespace: chebi_ontology subset: 2_STAR synonym: "noradrenaline" RELATED [UniProt] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:33569 ! noradrenaline property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFLSHLFXELFNJZ-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.187" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.08117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC(=CC(=C1O)O)C(C[NH3+])O" xsd:string [Term] id: CHEBI:166975 name: soybean oil is_a: CHEBI:60004 ! mixture [Term] id: CHEBI:16698 name: cyanamide namespace: chebi_ontology alt_id: CHEBI:14036 alt_id: CHEBI:23418 alt_id: CHEBI:3967 alt_id: CHEBI:41585 def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group." [] subset: 3_STAR synonym: "amidocyanogen" RELATED [ChEBI] synonym: "carbamonitrile" RELATED [ChEBI] synonym: "Carbodiimide" RELATED [KEGG_COMPOUND] synonym: "CYANAMIDE" EXACT [PDBeChem] synonym: "Cyanamide" EXACT [KEGG_COMPOUND] synonym: "cyanamide" EXACT [UniProt] synonym: "cyanamide" EXACT IUPAC_NAME [IUPAC] synonym: "cyanoamine" RELATED [ChEBI] synonym: "H2N-C#N" RELATED [ChEBI] synonym: "NH2CN" RELATED [ChEBI] xref: CAS:420-04-2 {source="KEGG COMPOUND"} xref: CAS:420-04-2 {source="ChemIDplus"} xref: DrugBank:DB02679 xref: Gmelin:784 {source="Gmelin"} xref: KEGG:C01566 xref: KEGG:D00123 xref: PDBeChem:CNN xref: PMID:15991038 {source="Europe PMC"} xref: PMID:17989515 {source="Europe PMC"} xref: PMID:24429000 {source="Europe PMC"} xref: PMID:24709147 {source="Europe PMC"} xref: PPDB:184 xref: Reaxys:1732569 {source="Reaxys"} xref: UM-BBD_compID:c0597 {source="UM-BBD"} xref: Wikipedia:Cyanamide is_a: CHEBI:18379 ! nitrile is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35487 ! EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor relationship: is_conjugate_acid_of CHEBI:64302 ! cyanamide(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2N2/c2-1-3/h2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XZMCDFZZKTWFGF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.04000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.02180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC#N" xsd:string [Term] id: CHEBI:16701 name: nucleoside 5'-phosphate namespace: chebi_ontology alt_id: CHEBI:14674 alt_id: CHEBI:25603 alt_id: CHEBI:7650 def: "A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated." [] subset: 3_STAR synonym: "Nucleoside 5'-phosphate" EXACT [KEGG_COMPOUND] synonym: "nucleoside 5'-phosphates" RELATED [ChEBI] xref: KEGG:C01117 is_a: CHEBI:29075 ! mononucleotide relationship: is_conjugate_acid_of CHEBI:57867 ! nucleoside 5'-phosphate dianion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.09510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.01367" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP(O)(O)=O" xsd:string [Term] id: CHEBI:167055 name: Jasmonate derivatives namespace: chebi_ontology def: "Any octanoid that is derived from jasmonate." [] subset: 2_STAR is_a: CHEBI:36326 ! octadecanoid [Term] id: CHEBI:16708 name: adenine namespace: chebi_ontology alt_id: CHEBI:13733 alt_id: CHEBI:22236 alt_id: CHEBI:2470 alt_id: CHEBI:40579 def: "The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6." [] subset: 3_STAR synonym: "6-Aminopurine" RELATED [KEGG_COMPOUND] synonym: "9H-purin-6-amine" EXACT IUPAC_NAME [IUPAC] synonym: "A" RELATED [ChEBI] synonym: "Ade" RELATED [CBN] synonym: "Adenin" RELATED [NIST_Chemistry_WebBook] synonym: "ADENINE" EXACT [PDBeChem] synonym: "Adenine" EXACT [KEGG_COMPOUND] synonym: "adenine" EXACT [UniProt] xref: Beilstein:608603 {source="Beilstein"} xref: CAS:73-24-5 {source="KEGG COMPOUND"} xref: CAS:73-24-5 {source="ChemIDplus"} xref: CAS:73-24-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:89 {source="DrugCentral"} xref: DrugBank:DB00173 xref: Gmelin:3903 {source="Gmelin"} xref: HMDB:HMDB0000034 xref: KEGG:C00147 xref: KEGG:D00034 xref: KNApSAcK:C00001490 xref: MetaCyc:ADENINE xref: PDBeChem:ADE xref: PMID:11985597 {source="Europe PMC"} xref: PMID:12829005 {source="Europe PMC"} xref: PMID:12951489 {source="Europe PMC"} xref: PMID:15063338 {source="Europe PMC"} xref: PMID:15715490 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:608603 {source="Reaxys"} xref: Wikipedia:Adenine is_a: CHEBI:20706 ! 6-aminopurines is_a: CHEBI:26386 ! purine nucleobase relationship: has_parent_hydride CHEBI:35589 ! 9H-purine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GFFGJBXGBJISGV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.12690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.05450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2[nH]cnc12" xsd:string [Term] id: CHEBI:167095 name: secondary fatty alcohol namespace: chebi_ontology def: "A fatty alcohol consisting of a chain of 3 to greater than 27 carbon atoms in which a hydroxy group is attached to a saturated carbon atom different from the terminal carbons. Secondary fatty alcohols may be saturated or unsaturated and may be branched or unbranched." [] subset: 2_STAR synonym: "a secondary fatty alcohol" RELATED [UniProt] is_a: CHEBI:24026 ! fatty alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.026" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(O)*" xsd:string [Term] id: CHEBI:167099 name: benzo[d]isothiazol-3-one namespace: chebi_ontology def: "An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion." [] subset: 3_STAR synonym: "1,2-Benzisothiazol-3(2H)-one" RELATED [ChemIDplus] synonym: "1,2-benzisothiazol-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "1,2-Benzisothiazolin-3-one" RELATED [ChEBI] synonym: "1,2-Benzisothiazoline-3-one" RELATED [ChemIDplus] synonym: "2,3-dihydro-3-oxo-1,2-benzisothiazole" RELATED [ChEBI] synonym: "benzisothiazolone" RELATED [ChEBI] synonym: "BIT" RELATED [ChEBI] synonym: "IPX" RELATED [ChemIDplus] xref: Beilstein:119510 {source="Beilstein"} xref: CAS:2634-33-5 {source="ChemIDplus"} xref: HMDB:HMDB0034413 xref: PMID:10201825 {source="Europe PMC"} xref: PMID:10604041 {source="Europe PMC"} xref: PMID:17988285 {source="Europe PMC"} xref: PMID:21903403 {source="Europe PMC"} xref: PMID:23429043 {source="Europe PMC"} xref: PMID:6446435 {source="Europe PMC"} xref: PMID:8833462 {source="Europe PMC"} xref: PMID:9046655 {source="Europe PMC"} xref: PMID:9231500 {source="Europe PMC"} xref: PPDB:1361 xref: Reaxys:119510 {source="Reaxys"} xref: Wikipedia:Benzisothiazolinone is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound relationship: has_role CHEBI:139492 ! sensitiser relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMSMPAJRVJJAGA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.18600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.00918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1[nH]sc2ccccc12" xsd:string [Term] id: CHEBI:16714 name: codeine namespace: chebi_ontology alt_id: CHEBI:14006 alt_id: CHEBI:23348 alt_id: CHEBI:3803 def: "A morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties." [] subset: 3_STAR synonym: "(-)-Codeine" RELATED [HMDB] synonym: "(1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol" RELATED [HMDB] synonym: "(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol" RELATED [KEGG_COMPOUND] synonym: "3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol" EXACT IUPAC_NAME [IUPAC] synonym: "7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol" RELATED [NIST_Chemistry_WebBook] synonym: "Codein" RELATED [ChEBI] synonym: "codeina" RELATED INN [ChEBI] synonym: "Codeine" EXACT [KEGG_COMPOUND] synonym: "codeine" RELATED INN [ChEBI] synonym: "codeine anhydrous" RELATED [DrugBank] synonym: "Codicept" RELATED BRAND_NAME [DrugBank] synonym: "Coducept" RELATED BRAND_NAME [DrugBank] synonym: "l-codeine" RELATED [ChemIDplus] synonym: "methylmorphine" RELATED [ChemIDplus] synonym: "morphine 3-methyl ether" RELATED [ChemIDplus] synonym: "morphine monomethyl ether" RELATED [ChemIDplus] synonym: "morphine-3-methyl ether" RELATED [ChemIDplus] synonym: "O(3)-methylmorphine" RELATED [ChemIDplus] xref: Beilstein:5303198 {source="Beilstein"} xref: Beilstein:5768734 {source="Beilstein"} xref: Beilstein:94996 {source="Beilstein"} xref: CAS:76-57-3 {source="NIST Chemistry WebBook"} xref: CAS:76-57-3 {source="KEGG COMPOUND"} xref: CAS:76-57-3 {source="ChemIDplus"} xref: Drug_Central:725 {source="DrugCentral"} xref: DrugBank:DB00318 xref: Gmelin:232454 {source="Gmelin"} xref: KEGG:C06174 xref: KNApSAcK:C00001837 xref: PMID:2215478 {source="Europe PMC"} xref: PMID:23507688 {source="Europe PMC"} xref: PMID:24069665 {source="Europe PMC"} xref: PMID:24176887 {source="Europe PMC"} xref: PMID:24324229 {source="Europe PMC"} xref: PMID:24396053 {source="Europe PMC"} xref: PMID:24458010 {source="Europe PMC"} xref: PMID:24491926 {source="Europe PMC"} xref: PMID:24517264 {source="Europe PMC"} xref: PMID:9776433 {source="Europe PMC"} xref: Reaxys:94996 {source="Reaxys"} xref: Wikipedia:Codeine is_a: CHEBI:25418 ! morphinane alkaloid is_a: CHEBI:38164 ! organic heteropentacyclic compound relationship: has_functional_parent CHEBI:17303 ! morphine relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:60606 ! opioid receptor agonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_base_of CHEBI:57871 ! codeine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OROGSEYTTFOCAN-DNJOTXNNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.36420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45" xsd:string [Term] id: CHEBI:16716 name: benzene namespace: chebi_ontology alt_id: CHEBI:13876 alt_id: CHEBI:22703 alt_id: CHEBI:3025 alt_id: CHEBI:41187 def: "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system." [] subset: 3_STAR synonym: "[6]annulene" RELATED [NIST_Chemistry_WebBook] synonym: "Benzen" RELATED [IUPAC] synonym: "BENZENE" EXACT [PDBeChem] synonym: "Benzene" EXACT [KEGG_COMPOUND] synonym: "benzene" EXACT IUPAC_NAME [IUPAC] synonym: "benzene" EXACT [UniProt] synonym: "benzene" EXACT [ChEBI] synonym: "Benzine" RELATED [UM-BBD] synonym: "Benzol" RELATED [ChemIDplus] synonym: "benzole" RELATED [NIST_Chemistry_WebBook] synonym: "Bicarburet of hydrogen" RELATED [ChemIDplus] synonym: "Coal naphtha" RELATED [ChemIDplus] synonym: "cyclohexatriene" RELATED [UM-BBD] synonym: "Mineral naphtha" RELATED [ChemIDplus] synonym: "Phene" RELATED [ChemIDplus] synonym: "phenyl hydride" RELATED [UM-BBD] synonym: "Pyrobenzol" RELATED [ChemIDplus] synonym: "Pyrobenzole" RELATED [ChemIDplus] xref: Beilstein:969212 {source="Beilstein"} xref: CAS:71-43-2 {source="ChemIDplus"} xref: CAS:71-43-2 {source="NIST Chemistry WebBook"} xref: CAS:71-43-2 {source="KEGG COMPOUND"} xref: Gmelin:1671 {source="Gmelin"} xref: HMDB:HMDB0001505 xref: KEGG:C01407 xref: PDBeChem:BNZ xref: PMID:11684179 {source="Europe PMC"} xref: PMID:11993966 {source="Europe PMC"} xref: PMID:12857942 {source="Europe PMC"} xref: PMID:14677922 {source="Europe PMC"} xref: PMID:15468289 {source="Europe PMC"} xref: PMID:15935818 {source="Europe PMC"} xref: PMID:16161967 {source="Europe PMC"} xref: PMID:17373369 {source="Europe PMC"} xref: PMID:18072742 {source="Europe PMC"} xref: PMID:18407866 {source="Europe PMC"} xref: PMID:18409691 {source="Europe PMC"} xref: PMID:18836923 {source="Europe PMC"} xref: PMID:19228219 {source="Europe PMC"} xref: PMID:21325737 {source="Europe PMC"} xref: PMID:23088855 {source="Europe PMC"} xref: PMID:23222815 {source="Europe PMC"} xref: PMID:23534829 {source="Europe PMC"} xref: PMID:6353911 {source="Europe PMC"} xref: PMID:8124204 {source="Europe PMC"} xref: Reaxys:969212 {source="Reaxys"} xref: UM-BBD_compID:c0142 {source="UM-BBD"} xref: Wikipedia:Benzene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33842 ! aromatic annulene relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHOVQNZJYSORNB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.11184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccccc1" xsd:string [Term] id: CHEBI:167164 name: mineral nutrient namespace: chebi_ontology def: "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body" [] def: "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body." [] subset: 3_STAR synonym: "essential mineral, element" EXACT [] synonym: "mineral nutrient" EXACT [ChEBI] synonym: "mineral nutrients" RELATED [ChEBI] synonym: "nutrient mineral" RELATED [ChEBI] synonym: "nutrient minerals" RELATED [ChEBI] xref: Wikipedia:Mineral_(nutrient) is_a: CDNO:0000001 ! dietary chemical component is_a: CHEBI:46662 ! mineral relationship: has_role CHEBI:33284 ! nutrient property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:167183 name: piscicide namespace: chebi_ontology def: "A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water." [] subset: 3_STAR synonym: "piscicides" RELATED [ChEBI] xref: Wikipedia:Piscicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:167308 name: dextromethadone namespace: chebi_ontology def: "A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder." [] subset: 3_STAR synonym: "(+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChEBI] synonym: "(+)-methadone" RELATED [ChemIDplus] synonym: "(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "(6S)-methadone" RELATED [ChemIDplus] synonym: "(S)-(+)-methadone" RELATED [ChEBI] synonym: "(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChemIDplus] synonym: "(S)-methadone" RELATED [ChemIDplus] synonym: "d-6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChemIDplus] synonym: "d-methadone" RELATED [ChemIDplus] synonym: "REL-1017" RELATED [ChEBI] synonym: "S-(+)-methadone" RELATED [ChemIDplus] synonym: "S-methadone" RELATED [ChemIDplus] xref: CAS:5653-80-5 {source="ChemIDplus"} xref: Chemspider:559067 xref: DrugBank:DB15198 xref: PMID:21175445 {source="Europe PMC"} xref: PMID:23249875 {source="Europe PMC"} xref: PMID:23935979 {source="Europe PMC"} xref: PMID:27055456 {source="Europe PMC"} xref: PMID:27456067 {source="Europe PMC"} xref: PMID:27974484 {source="Europe PMC"} xref: PMID:29458047 {source="Europe PMC"} xref: PMID:30907440 {source="Europe PMC"} xref: PMID:31091116 {source="Europe PMC"} xref: PMID:31368772 {source="Europe PMC"} xref: PMID:31454827 {source="Europe PMC"} xref: PMID:32302325 {source="Europe PMC"} xref: PMID:33345336 {source="Europe PMC"} xref: Reaxys:3213667 {source="Reaxys"} xref: Wikipedia:Dextromethadone is_a: CHEBI:167309 ! 6-(dimethylamino)-4,4-diphenylheptan-3-one relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: is_enantiomer_of CHEBI:136003 ! levomethadone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "USSIQXCVUWKGNF-KRWDZBQOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.20926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:167309 name: 6-(dimethylamino)-4,4-diphenylheptan-3-one namespace: chebi_ontology def: "A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4." [] subset: 3_STAR synonym: "6-(dimethylamino)-4,4-diphenyl-3-heptanone" RELATED [ChEBI] synonym: "6-(dimethylamino)-4,4-diphenylheptan-3-one" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:17087 ! ketone is_a: CHEBI:22712 ! benzenes is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:51614 ! diarylmethane relationship: has_functional_parent CHEBI:50139 ! heptan-3-one property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "USSIQXCVUWKGNF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.20926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:16733 name: D-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:12909 alt_id: CHEBI:13625 alt_id: CHEBI:20906 alt_id: CHEBI:4097 subset: 3_STAR synonym: "D-alpha-amino acid" EXACT [ChEBI] synonym: "D-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-amino acids" RELATED [ChEBI] synonym: "D-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00405 is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: is_conjugate_acid_of CHEBI:60895 ! D-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59871 ! D-alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:16738 name: 2,4-dichlorophenol namespace: chebi_ontology alt_id: CHEBI:11440 alt_id: CHEBI:19350 alt_id: CHEBI:909 def: "A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4." [] subset: 3_STAR synonym: "2,4-Dichlorophenol" EXACT [KEGG_COMPOUND] synonym: "2,4-dichlorophenol" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-dichlorophenol" EXACT [UniProt] xref: Beilstein:742467 {source="Beilstein"} xref: CAS:120-83-2 {source="NIST Chemistry WebBook"} xref: CAS:120-83-2 {source="ChemIDplus"} xref: CAS:120-83-2 {source="KEGG COMPOUND"} xref: Gmelin:261170 {source="Gmelin"} xref: HMDB:HMDB0004811 xref: KEGG:C02625 xref: MetaCyc:24-DICHLOROPHENOL xref: PMID:10633543 {source="Europe PMC"} xref: Reaxys:742467 {source="Reaxys"} xref: UM-BBD_compID:c0289 {source="UM-BBD"} xref: Wikipedia:2\,4-Dichlorophenol is_a: CHEBI:23702 ! dichlorophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Cl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HFZWRUODUSTPEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.00076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "161.96392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:167559 name: glycan namespace: chebi_ontology def: "Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001." [] subset: 3_STAR synonym: "glycans" RELATED [ChEBI] is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16765 name: tryptamine namespace: chebi_ontology alt_id: CHEBI:15274 alt_id: CHEBI:27161 alt_id: CHEBI:46157 alt_id: CHEBI:9767 def: "An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position." [] subset: 3_STAR synonym: "1H-indole-3-ethanamine" RELATED [NIST_Chemistry_WebBook] synonym: "2-(1H-INDOL-3-YL)ETHANAMINE" RELATED [PDBeChem] synonym: "2-(1H-indol-3-yl)ethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "2-(3-indolyl)ethylamine" RELATED [ChemIDplus] synonym: "3-(2-Aminoethyl)indole" RELATED [KEGG_COMPOUND] synonym: "Tryptamine" EXACT [KEGG_COMPOUND] xref: Beilstein:125513 {source="Beilstein"} xref: CAS:61-54-1 {source="ChemIDplus"} xref: CAS:61-54-1 {source="NIST Chemistry WebBook"} xref: CAS:61-54-1 {source="KEGG COMPOUND"} xref: DrugBank:DB08653 xref: Gmelin:603448 {source="Gmelin"} xref: HMDB:HMDB0000303 xref: KEGG:C00398 xref: KNApSAcK:C00001434 xref: MetaCyc:TRYPTAMINE xref: PDBeChem:TSS xref: PMID:16126914 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24345948 {source="Europe PMC"} xref: PMID:24558969 {source="Europe PMC"} xref: Reaxys:125513 {source="Reaxys"} xref: Wikipedia:Tryptamine is_a: CHEBI:27162 ! tryptamines is_a: CHEBI:38631 ! aminoalkylindole is_a: CHEBI:38958 ! indole alkaloid is_a: CHEBI:64365 ! aralkylamino compound relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:57887 ! tryptaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "APJYDQYYACXCRM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "160.21570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "160.10005" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1c[nH]c2ccccc12" xsd:string [Term] id: CHEBI:167868 name: morpholinium namespace: chebi_ontology def: "A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "morpholin-4-ium" EXACT IUPAC_NAME [IUPAC] xref: Chemspider:4199185 xref: MetaCyc:MORPHOLINE xref: PMID:19586072 {source="Europe PMC"} xref: PMID:25681783 {source="Europe PMC"} xref: PMID:26099357 {source="Europe PMC"} xref: PMID:26744296 {source="Europe PMC"} xref: PMID:28407378 {source="Europe PMC"} xref: PMID:28707619 {source="Europe PMC"} xref: PMID:32149213 {source="Europe PMC"} xref: PMID:32272314 {source="Europe PMC"} is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:34856 ! morpholine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.07569" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCC[NH2+]1" xsd:string [Term] id: CHEBI:16796 name: melatonin def: "A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans." [] is_a: CHEBI:22160 ! acetamides is_a: CHEBI:27162 ! tryptamines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16811 name: methionine namespace: chebi_ontology alt_id: CHEBI:14590 alt_id: CHEBI:25229 alt_id: CHEBI:6829 def: "A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4." [] subset: 3_STAR synonym: "2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "DL-Methionine" RELATED [KEGG_DRUG] synonym: "Hmet" RELATED [IUPAC] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "Methionin" RELATED [ChEBI] synonym: "Methionine" EXACT [KEGG_COMPOUND] synonym: "methionine" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" EXACT [ChEBI] synonym: "metionina" RELATED [ChEBI] synonym: "Racemethionine" RELATED [KEGG_DRUG] xref: Beilstein:636185 {source="Beilstein"} xref: CAS:59-51-8 {source="NIST Chemistry WebBook"} xref: CAS:59-51-8 {source="ChemIDplus"} xref: CAS:59-51-8 {source="KEGG COMPOUND"} xref: Gmelin:3117 {source="Gmelin"} xref: KEGG:C01733 xref: KEGG:D04983 xref: PMID:16702333 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:2543976 {source="Europe PMC"} xref: Reaxys:636185 {source="Reaxys"} xref: UM-BBD_compID:c0094 {source="UM-BBD"} xref: Wikipedia:Methionine is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32644 ! methioninate relationship: is_conjugate_base_of CHEBI:32646 ! methioninium relationship: is_tautomer_of CHEBI:64558 ! methionine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC(N)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:16830 name: methylamine namespace: chebi_ontology alt_id: CHEBI:14595 alt_id: CHEBI:25402 alt_id: CHEBI:44374 alt_id: CHEBI:6864 def: "The simplest of the methylamines, consisting of ammonia bearing a single methyl substituent." [] subset: 3_STAR synonym: "aminomethane" RELATED [NIST_Chemistry_WebBook] synonym: "CH3-NH2" RELATED [IUPAC] synonym: "MeNH2" RELATED [ChEBI] synonym: "Methanamine" RELATED [KEGG_COMPOUND] synonym: "methanamine" EXACT IUPAC_NAME [IUPAC] synonym: "METHYLAMINE" EXACT [PDBeChem] synonym: "Methylamine" EXACT [KEGG_COMPOUND] synonym: "MMA" RELATED [ChemIDplus] synonym: "monomethylamine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:741851 {source="Beilstein"} xref: CAS:74-89-5 {source="ChemIDplus"} xref: CAS:74-89-5 {source="NIST Chemistry WebBook"} xref: CAS:74-89-5 {source="KEGG COMPOUND"} xref: DrugBank:DB01828 xref: Gmelin:145 {source="Gmelin"} xref: HMDB:HMDB0000164 xref: KEGG:C00218 xref: MetaCyc:METHYLAMINE xref: PDBeChem:NME xref: PMID:11580915 {source="Europe PMC"} xref: PMID:11991665 {source="Europe PMC"} xref: PMID:18312416 {source="Europe PMC"} xref: Reaxys:741851 {source="Reaxys"} xref: UM-BBD_compID:c0137 {source="UM-BBD"} xref: Wikipedia:Methylamine is_a: CHEBI:17062 ! primary aliphatic amine is_a: CHEBI:25274 ! methylamines is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_base_of CHEBI:59338 ! methylammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N/c1-2/h2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAVYZALUXZFZLV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.05714" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN" xsd:string [Term] id: CHEBI:16836 name: 4-nitrophenol namespace: chebi_ontology alt_id: CHEBI:12034 alt_id: CHEBI:1913 alt_id: CHEBI:20457 alt_id: CHEBI:44390 def: "A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group." [] subset: 3_STAR synonym: "4-Hydroxynitrobenzene" RELATED [KEGG_COMPOUND] synonym: "4-Nitrophenol" EXACT [KEGG_COMPOUND] synonym: "4-nitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "Niphen" RELATED [KEGG_COMPOUND] synonym: "p-hydroxynitrobenzene" RELATED [ChemIDplus] synonym: "P-NITROPHENOL" RELATED [PDBeChem] synonym: "p-Nitrophenol" RELATED [KEGG_COMPOUND] synonym: "paranitrophenol" RELATED [ChemIDplus] synonym: "PNP" RELATED [KEGG_COMPOUND] xref: Beilstein:1281877 {source="Beilstein"} xref: CAS:100-02-7 {source="NIST Chemistry WebBook"} xref: CAS:100-02-7 {source="ChemIDplus"} xref: CAS:100-02-7 {source="KEGG COMPOUND"} xref: DrugBank:DB04417 xref: Gmelin:3311 {source="Gmelin"} xref: HMDB:HMDB0001232 xref: KEGG:C00870 xref: MetaCyc:P-NITROPHENOL xref: PDBeChem:NPO xref: PMID:19365648 {source="Europe PMC"} xref: Reaxys:1281877 {source="Reaxys"} xref: UM-BBD_compID:c0086 {source="UM-BBD"} xref: Wikipedia:4-Nitrophenol is_a: CHEBI:88306 ! 4-nitrophenols relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:57917 ! 4-nitrophenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTJIUGUIPKRLHP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "139.10880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "139.02694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:168396 name: mycophenolic acid namespace: chebi_ontology alt_id: CHEBI:43973 def: "A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases." [] subset: 3_STAR synonym: "(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid" RELATED [ChemIDplus] synonym: "acide mycophenolique" RELATED INN [ChemIDplus] synonym: "acido micofenolico" RELATED INN [ChemIDplus] synonym: "acidum mycophenolicum" RELATED INN [ChemIDplus] synonym: "Micofenolico acido" RELATED [ChemIDplus] synonym: "Mycophenolate" RELATED [ChemIDplus] synonym: "mycophenolic acid" RELATED INN [KEGG_DRUG] synonym: "Mycophenolsaeure" RELATED [ChemIDplus] xref: Beilstein:318158 {source="Beilstein"} xref: CAS:24280-93-1 {source="DrugBank"} xref: CAS:24280-93-1 {source="KEGG DRUG"} xref: CAS:24280-93-1 {source="ChemIDplus"} xref: Drug_Central:1860 {source="DrugCentral"} xref: DrugBank:DB01024 xref: KEGG:D05096 xref: Patent:US4753935 xref: PDBeChem:MOA xref: PMID:11272311 {source="Europe PMC"} xref: PMID:15470161 {source="Europe PMC"} xref: PMID:16629948 {source="Europe PMC"} xref: PMID:16640327 {source="Europe PMC"} xref: PMID:17482154 {source="Europe PMC"} xref: PMID:17498396 {source="Europe PMC"} xref: PMID:18194117 {source="Europe PMC"} xref: PMID:18611107 {source="Europe PMC"} xref: PMID:18996104 {source="Europe PMC"} xref: PMID:19689217 {source="Europe PMC"} xref: Reaxys:318158 {source="Reaxys"} xref: Wikipedia:Mycophenolic_acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33853 ! phenols is_a: CHEBI:37581 ! gamma-lactone is_a: CHEBI:38831 ! 2-benzofurans relationship: has_functional_parent CHEBI:38355 ! hex-4-enoic acid relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:25442 ! mycotoxin relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor relationship: has_role CHEBI:76964 ! Penicillium metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:62932 ! mycophenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPNSFSBZBAHARI-RUDMXATFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.33710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.12599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c(C)c2COC(=O)c2c(O)c1C\\C=C(/C)CCC(O)=O" xsd:string [Term] id: CHEBI:16842 name: formaldehyde namespace: chebi_ontology alt_id: CHEBI:14274 alt_id: CHEBI:24077 alt_id: CHEBI:337763 alt_id: CHEBI:5142 def: "An aldehyde resulting from the formal oxidation of methanol." [] subset: 3_STAR synonym: "Formaldehyd" RELATED [NIST_Chemistry_WebBook] synonym: "FORMALDEHYDE" EXACT [PDBeChem] synonym: "Formaldehyde" EXACT [KEGG_COMPOUND] synonym: "formaldehyde" EXACT [UniProt] synonym: "formaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "FORMALIN" RELATED [ChEMBL] synonym: "Formalin" RELATED [KEGG_COMPOUND] synonym: "Methanal" RELATED [KEGG_COMPOUND] synonym: "Methylene oxide" RELATED [KEGG_COMPOUND] synonym: "Oxomethane" RELATED [KEGG_COMPOUND] synonym: "Oxomethylene" RELATED [KEGG_COMPOUND] xref: Beilstein:1209228 {source="Beilstein"} xref: CAS:50-00-0 {source="NIST Chemistry WebBook"} xref: CAS:50-00-0 {source="ChemIDplus"} xref: CAS:50-00-0 {source="KEGG COMPOUND"} xref: Drug_Central:3244 {source="DrugCentral"} xref: DrugBank:DB03843 xref: Gmelin:445 {source="Gmelin"} xref: HMDB:HMDB0001426 xref: KEGG:C00067 xref: KEGG:D00017 xref: MetaCyc:FORMALDEHYDE xref: PDBeChem:FOR xref: PMID:110589 {source="Europe PMC"} xref: PMID:12686735 {source="Europe PMC"} xref: PMID:15091529 {source="Europe PMC"} xref: PMID:16423181 {source="Europe PMC"} xref: PMID:17618393 {source="Europe PMC"} xref: PMID:18837732 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PMID:7381846 {source="ChEMBL"} xref: PMID:7548723 {source="Europe PMC"} xref: PMID:7689168 {source="Europe PMC"} xref: PMID:7896413 {source="Europe PMC"} xref: PMID:9686972 {source="Europe PMC"} xref: PPDB:359 xref: Reaxys:1209228 {source="Reaxys"} xref: UM-BBD_compID:c0122 {source="UM-BBD"} xref: Wikipedia:Formaldehyde is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O/c1-2/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSFSSNUMVMOOMR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02598" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])=O" xsd:string [Term] id: CHEBI:16855 name: D-lysine namespace: chebi_ontology alt_id: CHEBI:12994 alt_id: CHEBI:21046 alt_id: CHEBI:4203 alt_id: CHEBI:42062 def: "The D-enantiomer of the alpha-amino acid lysine." [] subset: 3_STAR synonym: "(2R)-2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-2,6-diaminohexanoic acid" RELATED [ChEBI] synonym: "D-2,6-Diaminohexanoic acid" RELATED [KEGG_COMPOUND] synonym: "D-Lysin" RELATED [ChEBI] synonym: "D-LYSINE" EXACT [PDBeChem] synonym: "D-Lysine" EXACT [KEGG_COMPOUND] synonym: "D-lysine" EXACT IUPAC_NAME [IUPAC] synonym: "DLY" RELATED [PDBeChem] xref: Beilstein:1722530 {source="Beilstein"} xref: CAS:923-27-3 {source="ChemIDplus"} xref: CAS:923-27-3 {source="KEGG COMPOUND"} xref: DrugBank:DB03252 xref: Gmelin:1926332 {source="Gmelin"} xref: HMDB:HMDB0003405 xref: KEGG:C00739 xref: MetaCyc:CPD-219 xref: PDBeChem:DLY xref: PMID:10571145 {source="Europe PMC"} xref: PMID:10930630 {source="Europe PMC"} xref: PMID:125972 {source="Europe PMC"} xref: PMID:15561717 {source="Europe PMC"} xref: PMID:15914930 {source="Europe PMC"} xref: PMID:16595662 {source="Europe PMC"} xref: PMID:17259313 {source="Europe PMC"} xref: PMID:22569959 {source="Europe PMC"} xref: PMID:23023754 {source="Europe PMC"} xref: PMID:23090865 {source="Europe PMC"} xref: PMID:2435906 {source="Europe PMC"} xref: PMID:2493343 {source="Europe PMC"} xref: PMID:2503300 {source="Europe PMC"} xref: PMID:2510957 {source="Europe PMC"} xref: PMID:4359655 {source="Europe PMC"} xref: PMID:4391118 {source="Europe PMC"} xref: PMID:4710063 {source="Europe PMC"} xref: PMID:5128165 {source="Europe PMC"} xref: PMID:6448848 {source="Europe PMC"} xref: PMID:7563967 {source="Europe PMC"} xref: PMID:77880 {source="Europe PMC"} xref: PMID:8063049 {source="Europe PMC"} xref: PMID:8234494 {source="Europe PMC"} xref: PMID:8405749 {source="Europe PMC"} xref: PMID:9163947 {source="Europe PMC"} xref: PMID:9430472 {source="Europe PMC"} xref: Reaxys:1722530 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:25094 ! lysine relationship: has_role CHEBI:76946 ! fungal metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:32556 ! D-lysinate relationship: is_conjugate_base_of CHEBI:32557 ! D-lysinium(1+) relationship: is_enantiomer_of CHEBI:18019 ! L-lysine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-RXMQYKEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.18764" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC[C@@H](N)C(O)=O" xsd:string [Term] id: CHEBI:16856 name: glutathione namespace: chebi_ontology alt_id: CHEBI:12402 alt_id: CHEBI:14327 alt_id: CHEBI:24334 alt_id: CHEBI:42873 alt_id: CHEBI:43049 alt_id: CHEBI:5437 def: "A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine." [] subset: 3_STAR synonym: "5-L-Glutamyl-L-cysteinylglycine" RELATED [KEGG_COMPOUND] synonym: "gamma-L-Glutamyl-L-cysteinyl-glycine" RELATED [KEGG_COMPOUND] synonym: "Glutathione" EXACT [KEGG_COMPOUND] synonym: "Glutathione-SH" RELATED [HMDB] synonym: "GSH" RELATED [KEGG_COMPOUND] synonym: "L-gamma-glutamyl-L-cysteinylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine" RELATED [KEGG_COMPOUND] synonym: "Reduced glutathione" RELATED [KEGG_COMPOUND] xref: CAS:70-18-8 {source="ChemIDplus"} xref: CAS:70-18-8 {source="KEGG COMPOUND"} xref: Chemspider:111188 xref: Drug_Central:1312 {source="DrugCentral"} xref: DrugBank:DB00143 xref: FooDB:FDB001498 xref: HMDB:HMDB0000125 xref: KEGG:C00051 xref: KEGG:D00014 xref: KNApSAcK:C00001518 xref: MetaCyc:GLUTATHIONE xref: PDBeChem:GSH xref: PMID:10577998 {source="Europe PMC"} xref: PMID:1362956 {source="Europe PMC"} xref: PMID:14988435 {source="Europe PMC"} xref: PMID:16112416 {source="Europe PMC"} xref: PMID:16316931 {source="Europe PMC"} xref: PMID:16391576 {source="Europe PMC"} xref: PMID:16404476 {source="Europe PMC"} xref: PMID:16621738 {source="Europe PMC"} xref: PMID:16650398 {source="Europe PMC"} xref: PMID:16780237 {source="Europe PMC"} xref: PMID:16877380 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:19580823 {source="Europe PMC"} xref: PMID:4200890 {source="Europe PMC"} xref: PMID:4745654 {source="Europe PMC"} xref: PMID:8207209 {source="Europe PMC"} xref: Reaxys:1729812 {source="Reaxys"} xref: Wikipedia:Glutathione is_a: CHEBI:29256 ! thiol is_a: CHEBI:47923 ! tripeptide is_a: CHEBI:83824 ! L-cysteine derivative relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:85046 ! skin lightening agent relationship: is_conjugate_acid_of CHEBI:57925 ! glutathionate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H17N3O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSXRVCMGQZWBV-WDSKDSINSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.08381" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16865 name: gamma-aminobutyric acid namespace: chebi_ontology alt_id: CHEBI:1786 alt_id: CHEBI:193777 alt_id: CHEBI:20318 alt_id: CHEBI:40483 def: "A gamma-amino acid that is butanoic acid with the amino substituent located at C-4." [] subset: 3_STAR synonym: "4-Aminobutanoic acid" RELATED [KEGG_COMPOUND] synonym: "4-aminobutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-aminobutanoic acid" RELATED [ChEBI] synonym: "4-Aminobutyric acid" RELATED [KEGG_COMPOUND] synonym: "4-aminobutyric acid" RELATED [ChEBI] synonym: "4Abu" RELATED [ChEBI] synonym: "GABA" RELATED [KEGG_COMPOUND] synonym: "GABA" RELATED [IUPHAR] synonym: "GAMMA-AMINO-BUTANOIC ACID" RELATED [PDBeChem] synonym: "gamma-amino-n-butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-aminobutanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-Aminobuttersaeure" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-Aminobutyric acid" EXACT [KEGG_COMPOUND] synonym: "gamma-aminobutyric acid" EXACT [NIST_Chemistry_WebBook] synonym: "omega-aminobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "piperidic acid" RELATED [ChemIDplus] synonym: "piperidinic acid" RELATED [ChemIDplus] xref: Beilstein:906818 {source="Beilstein"} xref: BPDB:2298 xref: CAS:56-12-2 {source="ChemIDplus"} xref: CAS:56-12-2 {source="NIST Chemistry WebBook"} xref: CAS:56-12-2 {source="KEGG COMPOUND"} xref: Drug_Central:1262 {source="DrugCentral"} xref: DrugBank:DB02530 xref: Gmelin:49775 {source="Gmelin"} xref: HMDB:HMDB0000112 xref: KEGG:C00334 xref: KEGG:D00058 xref: KNApSAcK:C00001337 xref: LIPID_MAPS_instance:LMFA01100039 {source="LIPID MAPS"} xref: MetaCyc:4-AMINO-BUTYRATE xref: PDBeChem:ABU xref: PMID:10630630 {source="Europe PMC"} xref: PMID:10930630 {source="Europe PMC"} xref: PMID:16276116 {source="Europe PMC"} xref: PMID:21614609 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:906818 {source="Reaxys"} xref: Wikipedia:Gamma-Aminobutyric_acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33707 ! gamma-amino acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:30566 ! gamma-aminobutyrate relationship: is_tautomer_of CHEBI:59888 ! gamma-aminobutyric acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTCSSZJGUNDROE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.11980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(O)=O" xsd:string [Term] id: CHEBI:16907 name: 4-nitroquinoline N-oxide namespace: chebi_ontology alt_id: CHEBI:12037 alt_id: CHEBI:1917 alt_id: CHEBI:20460 alt_id: CHEBI:57944 def: "A quinoline N-oxide carrying a nitro substituent at position 4." [] subset: 3_STAR synonym: "4-Nitroquinoline 1-oxide" RELATED [KEGG_COMPOUND] synonym: "4-nitroquinoline 1-oxide" EXACT IUPAC_NAME [IUPAC] synonym: "4-nitroquinoline 1-oxide" RELATED [ChEBI] synonym: "4-Nitroquinoline N-oxide" EXACT [KEGG_COMPOUND] synonym: "4-nitroquinoline N-oxide" EXACT [ChEBI] synonym: "4-nitroquinoline N-oxide" EXACT [UniProt] synonym: "4-Nitroquinoline-1-oxide" RELATED [ChemIDplus] synonym: "4-Nitroquinoline-N-oxide" RELATED [ChemIDplus] synonym: "Nitrochin" RELATED [NIST_Chemistry_WebBook] xref: CAS:56-57-5 {source="KEGG COMPOUND"} xref: CAS:56-57-5 {source="NIST Chemistry WebBook"} xref: KEGG:C03474 xref: PMID:16448841 {source="Europe PMC"} xref: PMID:24105297 {source="Europe PMC"} xref: Reaxys:165756 {source="Reaxys"} xref: Wikipedia:4-Nitroquinoline_1-oxide is_a: CHEBI:26508 ! quinoline N-oxide is_a: CHEBI:35716 ! C-nitro compound relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YHQDZJICGQWFHK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "190.15550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "190.03784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cc[n+]([O-])c2ccccc12" xsd:string [Term] id: CHEBI:16914 name: salicylic acid namespace: chebi_ontology alt_id: CHEBI:26597 alt_id: CHEBI:45521 alt_id: CHEBI:9006 def: "A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves." [] subset: 3_STAR synonym: "2-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "2-HYDROXYBENZOIC ACID" RELATED [PDBeChem] synonym: "2-hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxybenzoic acid" RELATED [] synonym: "o-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "o-Hydroxybenzoic acid" RELATED [KEGG_COMPOUND] synonym: "o-hydroxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Salicylic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:774890 {source="Beilstein"} xref: CAS:69-72-7 {source="KEGG COMPOUND"} xref: CAS:69-72-7 {source="ChemIDplus"} xref: CAS:69-72-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:2416 {source="DrugCentral"} xref: DrugBank:DB00936 xref: Gmelin:3418 {source="Gmelin"} xref: HMDB:HMDB0001895 xref: KEGG:C00805 xref: KEGG:D00097 xref: KNApSAcK:C00000206 xref: LINCS:LSM-4763 xref: MetaCyc:CPD-110 xref: PDBeChem:SAL xref: PMID:11016405 {source="Europe PMC"} xref: PMID:12865403 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:19400653 {source="Europe PMC"} xref: PMID:19816125 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:32807953 {source="Europe PMC"} xref: PMID:3425858 {source="Europe PMC"} xref: Reaxys:774890 {source="Reaxys"} xref: Wikipedia:Salicylic_Acid is_a: CHEBI:25389 ! monohydroxybenzoic acid relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:37848 ! plant hormone relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:73181 ! EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:30762 ! salicylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGSDEFSMJLZEOE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.12070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccc1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:16958 name: beta-alanine namespace: chebi_ontology alt_id: CHEBI:10343 alt_id: CHEBI:12389 alt_id: CHEBI:22821 alt_id: CHEBI:41050 def: "A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position." [] subset: 3_STAR synonym: "3-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-aminopropanoic acid" RELATED [ChEBI] synonym: "3-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "bAla" RELATED [ChEBI] synonym: "BETA-ALANINE" EXACT [PDBeChem] synonym: "beta-Alanine" EXACT [KEGG_COMPOUND] synonym: "beta-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "beta-aminopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "H-beta-Ala-OH" RELATED [ChEBI] synonym: "omega-aminopropionic acid" RELATED [ChEBI] xref: Beilstein:906793 {source="Beilstein"} xref: CAS:107-95-9 {source="ChemIDplus"} xref: CAS:107-95-9 {source="KEGG COMPOUND"} xref: CAS:107-95-9 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03107 xref: Gmelin:49614 {source="Gmelin"} xref: HMDB:HMDB0000056 xref: KEGG:C00099 xref: KEGG:D07561 xref: KNApSAcK:C00001333 xref: MetaCyc:B-ALANINE xref: PDBeChem:BAL xref: PMID:11139233 {source="Europe PMC"} xref: PMID:11850512 {source="Europe PMC"} xref: PMID:12107759 {source="Europe PMC"} xref: PMID:12887142 {source="Europe PMC"} xref: PMID:14363188 {source="Europe PMC"} xref: PMID:16934791 {source="Europe PMC"} xref: PMID:18528519 {source="Europe PMC"} xref: PMID:18613640 {source="Europe PMC"} xref: PMID:19239140 {source="Europe PMC"} xref: PMID:19955842 {source="Europe PMC"} xref: PMID:20199122 {source="Europe PMC"} xref: PMID:20386120 {source="Europe PMC"} xref: PMID:20479615 {source="Europe PMC"} xref: PMID:20994958 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:906793 {source="Reaxys"} xref: Wikipedia:Beta-Alanine is_a: CHEBI:33706 ! beta-amino acid relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35222 ! inhibitor relationship: has_role CHEBI:48705 ! agonist relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:63070 ! beta-alaninate relationship: is_tautomer_of CHEBI:57966 ! beta-alanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCC(O)=O" xsd:string [Term] id: CHEBI:16961 name: monoacylglycerol phosphate namespace: chebi_ontology alt_id: CHEBI:14542 alt_id: CHEBI:36570 alt_id: CHEBI:6606 def: "Derivatives of phosphoglycerols which have only one of the alcohol groups of the glycerol backbone ester-linked with a fatty acid." [] subset: 3_STAR synonym: "Lysophospholipid" RELATED [KEGG_COMPOUND] synonym: "lysophospholipids" RELATED [ChEBI] synonym: "monoacylglycerol phosphates" RELATED [ChEBI] synonym: "monoacylglycerophosphate" RELATED [ChEBI] synonym: "monoacylglycerophosphates" RELATED [ChEBI] is_a: CHEBI:26707 ! glycerol phosphate is_a: CHEBI:37739 ! glycerophospholipid relationship: has_role CHEBI:75771 ! mouse metabolite [Term] id: CHEBI:16962 name: cortisone namespace: chebi_ontology alt_id: CHEBI:14026 alt_id: CHEBI:23397 alt_id: CHEBI:3896 def: "A C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20." [] subset: 3_STAR synonym: "11-dehydro-17-hydroxycorticosterone" RELATED [ChemIDplus] synonym: "17,21-dihydroxypregn-4-ene-3,11,20-trione" EXACT IUPAC_NAME [IUPAC] synonym: "17-hydroxy-11-dehydrocorticosterone" RELATED [ChemIDplus] synonym: "17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione" RELATED [KEGG_COMPOUND] synonym: "17alpha,21-dihydroxy-4-pregnene-3,11,20-trione" RELATED [NIST_Chemistry_WebBook] synonym: "4-pregnene-17alpha,21-diol-3,11,20-trione" RELATED [NIST_Chemistry_WebBook] synonym: "Cortison" RELATED [NIST_Chemistry_WebBook] synonym: "Cortisone" EXACT [KEGG_COMPOUND] synonym: "cortisone" EXACT [UniProt] synonym: "Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione" RELATED [ChEBI] synonym: "Kendall's compound E" RELATED [KEGG_COMPOUND] synonym: "Kortison" RELATED [ChEBI] synonym: "pregn-4-en-17alpha,21-diol-3,11,20-trione" RELATED [NIST_Chemistry_WebBook] synonym: "Reichstein's substance Fa" RELATED [KEGG_COMPOUND] synonym: "Wintersteiner's compound F" RELATED [ChemIDplus] xref: Beilstein:1356062 {source="Beilstein"} xref: CAS:53-06-5 {source="KEGG COMPOUND"} xref: CAS:53-06-5 {source="ChemIDplus"} xref: CAS:53-06-5 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0002802 xref: KEGG:C00762 xref: KEGG:D07749 xref: LIPID_MAPS_instance:LMST02030090 {source="LIPID MAPS"} xref: MetaCyc:CORTISONE xref: PMID:11710540 {source="Europe PMC"} xref: PMID:14874924 {source="Europe PMC"} xref: PMID:2268561 {source="Europe PMC"} xref: PMID:24391193 {source="Europe PMC"} xref: PMID:8989250 {source="Europe PMC"} xref: Reaxys:1356062 {source="Reaxys"} xref: Wikipedia:Cortisone is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:24261 ! glucocorticoid is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47787 ! 11-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:61313 ! C21-steroid relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H28O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFYSYFVPBJMHGN-ZPOLXVRWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.44402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.19367" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO" xsd:string [Term] id: CHEBI:16973 name: 11-deoxycorticosterone namespace: chebi_ontology alt_id: CHEBI:11314 alt_id: CHEBI:19123 alt_id: CHEBI:39642 alt_id: CHEBI:713 alt_id: CHEBI:86536 def: "A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group." [] subset: 3_STAR synonym: "11-Deoxycorticosterone" EXACT [KEGG_COMPOUND] synonym: "21-Hydroxy-4-pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "21-hydroxypregn-4-ene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "21-hydroxyprogesterone" RELATED [ChemIDplus] synonym: "21-hydroxyprogesterone" RELATED [UniProt] synonym: "4-pregnen-21-ol-3,20-dione" RELATED [ChemIDplus] synonym: "Cortexone" RELATED [KEGG_COMPOUND] synonym: "Deoxycorticosterone" RELATED [KEGG_COMPOUND] synonym: "DESOXYCORTICOSTERONE" RELATED [PDBeChem] synonym: "Desoxycortone" RELATED [KEGG_COMPOUND] synonym: "desoxycortone" RELATED [ChemIDplus] synonym: "DOC" RELATED [KEGG_COMPOUND] synonym: "Kendall's desoxy compound B" RELATED [ChemIDplus] synonym: "Reichstein's substance Q" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2062123 {source="Beilstein"} xref: CAS:64-85-7 {source="NIST Chemistry WebBook"} xref: CAS:64-85-7 {source="ChemIDplus"} xref: CAS:64-85-7 {source="KEGG COMPOUND"} xref: Drug_Central:820 {source="DrugCentral"} xref: KEGG:C03205 xref: KEGG:D07792 xref: LIPID_MAPS_instance:LMST02030087 {source="LIPID MAPS"} xref: MetaCyc:11-DEOXYCORTICOSTERONE xref: PDBeChem:1CA xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:2062123 {source="Reaxys"} xref: Wikipedia:Desoxycorticosterone is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:25354 ! mineralocorticoid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid relationship: has_functional_parent CHEBI:17026 ! progesterone relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H30O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZESRJSPZRDMNHY-YFWFAHHUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.46110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.21949" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)CO" xsd:string [Term] id: CHEBI:16975 name: 1-acyl-sn-glycerol 3-phosphate namespace: chebi_ontology alt_id: CHEBI:11227 alt_id: CHEBI:18993 alt_id: CHEBI:590 subset: 3_STAR synonym: "1-Acyl-sn-glycerol 3-phosphate" EXACT [KEGG_COMPOUND] synonym: "1-acyl-sn-glycerol 3-phosphates" RELATED [ChEBI] synonym: "2-Lysophosphatidate" RELATED [KEGG_COMPOUND] synonym: "Lysophosphatidate" RELATED [KEGG_COMPOUND] synonym: "Lysophosphatidic acid" RELATED [KEGG_COMPOUND] synonym: "lysophosphatidic acid" RELATED [ChEBI] xref: KEGG:C00681 xref: PMID:21376640 {source="Europe PMC"} is_a: CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate is_a: CHEBI:76629 ! 2-lysophosphatidic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.07590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.00076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H](COC([*])=O)COP(O)(O)=O" xsd:string [Term] id: CHEBI:16977 name: L-alanine namespace: chebi_ontology alt_id: CHEBI:13069 alt_id: CHEBI:21216 alt_id: CHEBI:40734 alt_id: CHEBI:40735 alt_id: CHEBI:46308 alt_id: CHEBI:6171 def: "The L-enantiomer of alanine." [] subset: 3_STAR synonym: "(2S)-2-aminopropanoic acid" RELATED [IUPAC] synonym: "(S)-2-aminopropanoic acid" RELATED [ChEBI] synonym: "(S)-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "A" RELATED [ChEBI] synonym: "Ala" RELATED [NIST_Chemistry_WebBook] synonym: "ALANINE" RELATED [PDBeChem] synonym: "L-2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-Alanin" RELATED [ChEBI] synonym: "L-Alanine" EXACT [KEGG_COMPOUND] synonym: "L-alanine" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-Alanine" RELATED [KEGG_COMPOUND] synonym: "L-alpha-alanine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1720248 {source="Beilstein"} xref: CAS:56-41-7 {source="ChemIDplus"} xref: CAS:56-41-7 {source="KEGG COMPOUND"} xref: CAS:56-41-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:4255 {source="DrugCentral"} xref: DrugBank:DB00160 xref: ECMDB:ECMDB00161 xref: Gmelin:49628 {source="Gmelin"} xref: HMDB:HMDB0000161 xref: KEGG:C00041 xref: KEGG:D00012 xref: KNApSAcK:C00001332 xref: MetaCyc:ALPHA-ALANINE xref: PDBeChem:ALA_LFOH xref: PMID:18235971 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:3275662 {source="Europe PMC"} xref: Reaxys:1720248 {source="Reaxys"} xref: Wikipedia:Alanine xref: YMDB:YMDB00154 is_a: CHEBI:16449 ! alanine is_a: CHEBI:26463 ! pyruvate family amino acid relationship: has_role CHEBI:77881 ! EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor relationship: is_conjugate_acid_of CHEBI:32431 ! L-alaninate relationship: is_conjugate_base_of CHEBI:32432 ! L-alaninium relationship: is_enantiomer_of CHEBI:15570 ! D-alanine relationship: is_tautomer_of CHEBI:57972 ! L-alanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:16988 name: D-ribose namespace: chebi_ontology alt_id: CHEBI:13011 alt_id: CHEBI:21078 def: "A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde." [] subset: 3_STAR synonym: "D-Rib" RELATED [JCBN] synonym: "D-ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "D-ribose" EXACT IUPAC_NAME [IUPAC] xref: DrugBank:DB01936 xref: PMID:24404872 {source="Europe PMC"} xref: PMID:24752650 {source="Europe PMC"} is_a: CHEBI:33942 ! ribose relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_enantiomer_of CHEBI:46997 ! L-ribose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:16991 name: deoxyribonucleic acid namespace: chebi_ontology alt_id: CHEBI:13302 alt_id: CHEBI:21123 alt_id: CHEBI:33698 alt_id: CHEBI:4291 def: "High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms." [] subset: 3_STAR synonym: "(Deoxyribonucleotide)m" RELATED [KEGG_COMPOUND] synonym: "(Deoxyribonucleotide)n" RELATED [KEGG_COMPOUND] synonym: "(Deoxyribonucleotide)n+m" RELATED [KEGG_COMPOUND] synonym: "Deoxyribonucleic acid" EXACT [KEGG_COMPOUND] synonym: "deoxyribonucleic acids" EXACT IUPAC_NAME [IUPAC] synonym: "deoxyribonucleic acids" RELATED [ChEBI] synonym: "Desoxyribonukleinsaeure" RELATED [ChEBI] synonym: "desoxyribose nucleic acid" RELATED [ChemIDplus] synonym: "DNA" RELATED [UniProt] synonym: "DNA" RELATED [KEGG_COMPOUND] synonym: "DNA" RELATED [IUPAC] synonym: "DNAn" RELATED [KEGG_COMPOUND] synonym: "DNAn+1" RELATED [KEGG_COMPOUND] synonym: "DNS" RELATED [ChEBI] synonym: "thymus nucleic acid" RELATED [ChEBI] xref: CAS:9007-49-2 {source="ChemIDplus"} xref: CAS:9007-49-2 {source="KEGG COMPOUND"} xref: KEGG:C00039 is_a: CHEBI:33696 ! nucleic acid relationship: has_part CHEBI:33793 ! canonical deoxyribonucleoside residue relationship: has_part CHEBI:50298 ! canonical deoxyribonucleotide residue relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite [Term] id: CHEBI:16995 name: oxalic acid namespace: chebi_ontology alt_id: CHEBI:25730 alt_id: CHEBI:44583 alt_id: CHEBI:7811 def: "An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2." [] subset: 3_STAR synonym: "Ethandisaeure" RELATED [ChEBI] synonym: "ethane-1,2-dioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Ethanedioic acid" RELATED [KEGG_COMPOUND] synonym: "H2ox" RELATED [IUPAC] synonym: "HOOCCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "OXALIC ACID" EXACT [PDBeChem] synonym: "Oxalic acid" EXACT [KEGG_COMPOUND] synonym: "oxalic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Oxalsaeure" RELATED [ChEBI] xref: Beilstein:385686 {source="Beilstein"} xref: CAS:144-62-7 {source="KEGG COMPOUND"} xref: CAS:144-62-7 {source="NIST Chemistry WebBook"} xref: CAS:144-62-7 {source="ChemIDplus"} xref: DrugBank:DB03902 xref: Gmelin:2208 {source="Gmelin"} xref: HMDB:HMDB0002329 xref: KEGG:C00209 xref: KNApSAcK:C00001198 xref: LIPID_MAPS_instance:LMFA01170031 {source="LIPID MAPS"} xref: MetaCyc:OXALATE xref: PDBeChem:OXD xref: PMID:15587083 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:385686 {source="Reaxys"} xref: Wikipedia:Oxalic_acid is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:46904 ! oxalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.03490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.99531" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:169952 name: 13-cis-retinoate namespace: chebi_ontology subset: 2_STAR synonym: "(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate" RELATED [SUBMITTER] synonym: "13-cis-retinoate" EXACT [UniProt] xref: PMID:12576512 {source="SUBMITTER"} is_a: CHEBI:15036 ! retinoate relationship: is_conjugate_base_of CHEBI:6067 ! isotretinoin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-XFYACQKRSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.435" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.20165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C)(C)CCCC(C)=C1/C=C/C(=C/C=C/C(=C\\C(=O)[O-])/C)/C" xsd:string [Term] id: CHEBI:16997 name: propane-1,2-diol is_a: CHEBI:26284 ! propane-1,2-diols [Term] id: CHEBI:16998 name: D-phenylalanine namespace: chebi_ontology alt_id: CHEBI:13007 alt_id: CHEBI:21067 alt_id: CHEBI:42207 alt_id: CHEBI:4224 def: "The D-enantiomer of phenylalanine." [] subset: 3_STAR synonym: "(2R)-2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Phe" RELATED [ChEBI] synonym: "D-PHENYLALANINE" EXACT [PDBeChem] synonym: "D-Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "D-phenylalanine" EXACT IUPAC_NAME [IUPAC] synonym: "DPN" RELATED [PDBeChem] synonym: "phenylalanine D-form" RELATED [ChemIDplus] xref: Beilstein:2804068 {source="Beilstein"} xref: CAS:673-06-3 {source="KEGG COMPOUND"} xref: CAS:673-06-3 {source="ChemIDplus"} xref: DrugBank:DB02556 xref: ECMDB:ECMDB20144 xref: Gmelin:83219 {source="Gmelin"} xref: KEGG:C02265 xref: MetaCyc:CPD-216 xref: PDBeChem:DPN xref: PMID:22382026 {source="Europe PMC"} xref: PMID:22397264 {source="Europe PMC"} xref: PMID:24464217 {source="Europe PMC"} xref: PMID:7114516 {source="Europe PMC"} xref: Reaxys:2804068 {source="Reaxys"} xref: YMDB:YMDB00995 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:28044 ! phenylalanine relationship: is_conjugate_acid_of CHEBI:32494 ! D-phenylalaninate relationship: is_conjugate_base_of CHEBI:32495 ! D-phenylalaninium relationship: is_enantiomer_of CHEBI:17295 ! L-phenylalanine relationship: is_tautomer_of CHEBI:57981 ! D-phenylalanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:17015 name: riboflavin namespace: chebi_ontology alt_id: CHEBI:15044 alt_id: CHEBI:27299 alt_id: CHEBI:45214 alt_id: CHEBI:529204 alt_id: CHEBI:8843 def: "D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide." [] comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" EXACT IUPAC_NAME [IUPAC] synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol" RELATED [NIST_Chemistry_WebBook] synonym: "5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" RELATED [ChEBI] synonym: "6,7-dimethyl-9-D-ribitylisoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [ChEBI] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [IUPAC] synonym: "7,8-dimethyl-10-ribitylisoalloxazine" RELATED [KEGG_COMPOUND] synonym: "Aqua-Flave" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavine" RELATED BRAND_NAME [ChemIDplus] synonym: "Bisulase" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Dermadram" RELATED BRAND_NAME [ChemIDplus] synonym: "E101" RELATED [ChEBI] synonym: "Fiboflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavaxin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavin Bb" RELATED BRAND_NAME [ChemIDplus] synonym: "Flaxain" RELATED BRAND_NAME [ChemIDplus] synonym: "Hyflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "lactoflavin" RELATED [KEGG_COMPOUND] synonym: "riboflavin" RELATED INN [WHO_MedNet] synonym: "riboflavin (vit B2)" RELATED [DrugCentral] synonym: "riboflavina" RELATED INN [WHO_MedNet] synonym: "riboflavine" RELATED INN [WHO_MedNet] synonym: "riboflavinum" RELATED INN [WHO_MedNet] synonym: "Vitamin B2" RELATED [KEGG_COMPOUND] synonym: "vitamin B2" RELATED [ChEBI] synonym: "vitamin G" RELATED [DrugBank] synonym: "vitasan B2" RELATED [ChemIDplus] xref: Beilstein:97831 {source="Beilstein"} xref: CAS:83-88-5 {source="NIST Chemistry WebBook"} xref: CAS:83-88-5 {source="ChemIDplus"} xref: CAS:83-88-5 {source="KEGG COMPOUND"} xref: Chemspider:431981 xref: Codex:\:101(i) xref: Drug_Central:2834 {source="DrugCentral"} xref: DrugBank:DB00140 xref: Europe:\:101 xref: FooDB:FDB012160 xref: HMDB:HMDB0000244 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3233 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3756 xref: KEGG:C00255 xref: KEGG:D00050 xref: KNApSAcK:C00001552 xref: LINCS:LSM-4084 xref: MetaCyc:RIBOFLAVIN xref: Patent:US2807611 xref: Patent:US2876169 xref: PDBeChem:RBF xref: PMID:10566553 {source="Europe PMC"} xref: PMID:11399071 {source="Europe PMC"} xref: PMID:11606856 {source="Europe PMC"} xref: PMID:12083520 {source="Europe PMC"} xref: PMID:12354259 {source="Europe PMC"} xref: PMID:12927541 {source="Europe PMC"} xref: PMID:14963913 {source="Europe PMC"} xref: PMID:16273338 {source="Europe PMC"} xref: PMID:16460756 {source="Europe PMC"} xref: PMID:16658098 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:18832377 {source="Europe PMC"} xref: PMID:19169240 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19854891 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:2369885 {source="Europe PMC"} xref: PMID:23818044 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24816110 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:25468971 {source="Europe PMC"} xref: PMID:25887755 {source="Europe PMC"} xref: PMID:2631092 {source="Europe PMC"} xref: PMID:29937405 {source="Europe PMC"} xref: PMID:3142982 {source="Europe PMC"} xref: PMID:33154451 {source="Europe PMC"} xref: PMID:33304888 {source="Europe PMC"} xref: PMID:33886098 {source="Europe PMC"} xref: PMID:33892358 {source="Europe PMC"} xref: PMID:34156642 {source="Europe PMC"} xref: PMID:3592624 {source="Europe PMC"} xref: PMID:3878498 {source="Europe PMC"} xref: PMID:4019261 {source="Europe PMC"} xref: PMID:6475825 {source="Europe PMC"} xref: PMID:6546833 {source="Europe PMC"} xref: PMID:6650303 {source="Europe PMC"} xref: PMID:7101408 {source="Europe PMC"} xref: PMID:7883462 {source="Europe PMC"} xref: PMID:8487103 {source="Europe PMC"} xref: PMID:8604671 {source="Europe PMC"} xref: PMID:8678471 {source="Europe PMC"} xref: PMID:8976642 {source="Europe PMC"} xref: PMID:9184778 {source="Europe PMC"} xref: PMID:9808225 {source="Europe PMC"} xref: PMID:9874201 {source="Europe PMC"} xref: Reaxys:97831 {source="Reaxys"} xref: Wikipedia:Riboflavin is_a: CHEBI:176838 ! vitamin B2 is_a: CHEBI:30527 ! flavin relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:47868 ! photosensitizing agent relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77182 ! food colouring relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite relationship: is_conjugate_acid_of CHEBI:57986 ! riboflavin(1-) property_value: hasSynonym "riboflavin, synthetic" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUNGANRZJHBGPY-SCRDCRAPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "376.369" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "376.13828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1" xsd:string property_value: IAO:0000118 "riboflavin" xsd:string property_value: IAO:0000118 "vitamin b2" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17026 name: progesterone namespace: chebi_ontology alt_id: CHEBI:14896 alt_id: CHEBI:18798 alt_id: CHEBI:26269 alt_id: CHEBI:439 alt_id: CHEBI:45786 alt_id: CHEBI:8453 def: "A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species." [] subset: 3_STAR synonym: "(S)-4-Pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "(S)-Pregn-4-en-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "(S)-Progesterone" RELATED [KEGG_COMPOUND] synonym: "17alpha-progesterone" RELATED [NIST_Chemistry_WebBook] synonym: "4-Pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "Agolutin" RELATED [NIST_Chemistry_WebBook] synonym: "Akrolutin" RELATED [ChEBI] synonym: "corpus luteum hormone" RELATED [ChemIDplus] synonym: "Crinone" RELATED [ChemIDplus] synonym: "Delta(4)-pregnene-3,20-dione" RELATED [ChEBI] synonym: "Gelbkoerperhormon" RELATED [ChEBI] synonym: "luteohormone" RELATED [ChemIDplus] synonym: "pregn-4-ene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Progesteron" RELATED [ChEBI] synonym: "PROGESTERONE" EXACT [PDBeChem] synonym: "Progesterone" EXACT [KEGG_COMPOUND] synonym: "progesterone" EXACT [UniProt] xref: Beilstein:1915950 {source="Beilstein"} xref: CAS:57-83-0 {source="KEGG COMPOUND"} xref: CAS:57-83-0 {source="ChemIDplus"} xref: CAS:57-83-0 {source="NIST Chemistry WebBook"} xref: Drug_Central:2279 {source="DrugCentral"} xref: DrugBank:DB00396 xref: Gmelin:708590 {source="Gmelin"} xref: HMDB:HMDB0001830 xref: KEGG:C00410 xref: KEGG:D00066 xref: MetaCyc:PROGESTERONE xref: PDBeChem:STR xref: PMID:10438974 {source="Europe PMC"} xref: PMID:9506942 {source="Europe PMC"} xref: Reaxys:1915950 {source="Reaxys"} xref: Wikipedia:Progesterone is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:64600 ! C21-steroid hormone relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:49323 ! contraceptive drug relationship: has_role CHEBI:59826 ! progestin relationship: has_role CHEBI:70709 ! progesterone receptor agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJKFOVLPORLFTN-LEKSSAKUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "314.46170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "314.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O" xsd:string [Term] id: CHEBI:17029 name: chitin namespace: chebi_ontology alt_id: CHEBI:13962 alt_id: CHEBI:23099 alt_id: CHEBI:3596 def: "An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues." [] subset: 3_STAR synonym: "(1->4)-2-acetamido-2-deoxy-beta-D-glucan" EXACT IUPAC_NAME [IUPAC] synonym: "[1,4-(N-Acetyl-beta-D-glucosaminyl)]n" RELATED [KEGG_COMPOUND] synonym: "[4)-beta-D-GlcpNAc(1->]n" RELATED [IUPAC] synonym: "beta-1,4-Poly-N-acetyl-D-glucosamine" RELATED [KEGG_COMPOUND] synonym: "Chitin" EXACT [KEGG_COMPOUND] synonym: "chitin" EXACT [IUPAC] synonym: "chitin" EXACT [UniProt] xref: CAS:1398-61-4 {source="KEGG COMPOUND"} xref: KEGG:C00461 xref: KEGG:G10483 is_a: CHEBI:21638 ! N-acylglucosamine is_a: CHEBI:22506 ! aminoglycan relationship: has_role CHEBI:73336 ! vulnerary relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O(C8H13NO5)n" xsd:string [Term] id: CHEBI:17043 name: biphenyl-2-ol namespace: chebi_ontology alt_id: CHEBI:1146 alt_id: CHEBI:11591 alt_id: CHEBI:19629 def: "A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits." [] subset: 3_STAR synonym: "2-Biphenylol" RELATED [] synonym: "2-Hydroxybiphenyl" RELATED [] synonym: "2-Phenylphenol" RELATED [] synonym: "[1,1'-biphenyl]-2-ol" EXACT [] synonym: "biphenyl-2-ol" EXACT [] synonym: "o-diphenylol" RELATED [] synonym: "o-hydroxybiphenyl" RELATED [] synonym: "o-hydroxydiphenyl" RELATED [] synonym: "o-phenylphenol" RELATED [] synonym: "Orthophenyl phenol" RELATED [] xref: CAS:90-43-7 xref: Drug_Central:4768 xref: HMDB:HMDB0032582 xref: KEGG:C02499 xref: KEGG:D08367 xref: PMID:14753781 xref: PMID:23156781 xref: PMID:23665931 xref: PMID:24525378 xref: PPDB:1340 xref: Reaxys:606907 xref: UM-BBD_compID:c0269 xref: Wikipedia:Biphenyl-2-ol is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LLEMOWNGBBNAJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.20720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1-c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17045 name: dinitrogen oxide def: "A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream." [] comment: LanguaL term definition: Food additive; technological purpose(s): antioxidant, foaming agent, packaging gas, propellant. xref: Codex:\:942 xref: Europe:\:942 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3174 is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:35196 ! nitrogen oxide property_value: IAO:0000118 "nitrous oxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17051 name: fluoride namespace: chebi_ontology alt_id: CHEBI:14271 alt_id: CHEBI:49593 alt_id: CHEBI:5113 subset: 3_STAR synonym: "F(-)" RELATED [IUPAC] synonym: "F-" RELATED [KEGG_COMPOUND] synonym: "Fluoride" EXACT [KEGG_COMPOUND] synonym: "fluoride" EXACT [UniProt] synonym: "fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "FLUORIDE ION" RELATED [PDBeChem] synonym: "Fluoride ion" RELATED [KEGG_COMPOUND] synonym: "fluoride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Fluorine anion" RELATED [NIST_Chemistry_WebBook] xref: CAS:16984-48-8 {source="NIST Chemistry WebBook"} xref: CAS:16984-48-8 {source="ChemIDplus"} xref: Gmelin:14905 {source="Gmelin"} xref: KEGG:C00742 xref: PDBeChem:F is_a: CDNO:0000024 ! dietary fluorine is_a: CHEBI:16042 ! halide anion is_a: CHEBI:36895 ! monoatomic fluorine relationship: is_conjugate_base_of CHEBI:29228 ! hydrogen fluoride property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17061 name: D-glutamine namespace: chebi_ontology alt_id: CHEBI:12980 alt_id: CHEBI:21024 alt_id: CHEBI:4184 def: "The D-enantiomer of glutamine." [] subset: 3_STAR synonym: "(2R)-2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "(2R)-2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "(R)-2,5-diamino-5-oxopentanoic acid" RELATED [ChEBI] synonym: "D-2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutamin" RELATED [ChEBI] synonym: "D-Glutamine" EXACT [KEGG_COMPOUND] synonym: "D-glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "DGN" RELATED [PDBeChem] xref: Beilstein:1723796 {source="Beilstein"} xref: CAS:5959-95-5 {source="KEGG COMPOUND"} xref: CAS:5959-95-5 {source="ChemIDplus"} xref: DrugBank:DB02174 xref: ECMDB:ECMDB03423 xref: Gmelin:1318700 {source="Gmelin"} xref: HMDB:HMDB0003423 xref: KEGG:C00819 xref: MetaCyc:GLUTAMIDE xref: Patent:WO2011109119 xref: PDBeChem:DGN xref: PMID:21048866 {source="Europe PMC"} xref: PMID:21182880 {source="Europe PMC"} xref: PMID:22291598 {source="Europe PMC"} xref: PMID:3697715 {source="Europe PMC"} xref: PMID:7197365 {source="Europe PMC"} xref: Reaxys:1723796 {source="Reaxys"} xref: YMDB:YMDB00990 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:28300 ! glutamine relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:32672 ! D-glutaminate relationship: is_conjugate_base_of CHEBI:32673 ! D-glutaminium relationship: is_enantiomer_of CHEBI:18050 ! L-glutamine relationship: is_tautomer_of CHEBI:58000 ! D-glutamine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(O)[C@H](N)CCC(=O)N" xsd:string [Term] id: CHEBI:17062 name: primary aliphatic amine namespace: chebi_ontology alt_id: CHEBI:13431 alt_id: CHEBI:8749 subset: 3_STAR synonym: "primary aliphatic amines" RELATED [ChEBI] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] synonym: "RCH2NH2" RELATED [ChEBI] xref: KEGG:C00375 is_a: CHEBI:32877 ! primary amine relationship: is_conjugate_base_of CHEBI:58001 ! primary aliphatic ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.04920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.03437" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC[*]" xsd:string [Term] id: CHEBI:17064 name: 4-nitroaniline namespace: chebi_ontology alt_id: CHEBI:12032 alt_id: CHEBI:1910 alt_id: CHEBI:20455 alt_id: CHEBI:44545 def: "A nitroaniline carrying a nitro group at position 4." [] subset: 3_STAR synonym: "1-amino-4-nitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "4-nitraniline" RELATED [NIST_Chemistry_WebBook] synonym: "4-NITROANILINE" EXACT [PDBeChem] synonym: "4-Nitroaniline" EXACT [KEGG_COMPOUND] synonym: "4-nitroaniline" EXACT [UniProt] synonym: "4-nitroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "4-Nitrobenzeneamine" RELATED [KEGG_COMPOUND] synonym: "p-aminonitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "p-nitraniline" RELATED [NIST_Chemistry_WebBook] synonym: "p-Nitroaniline" RELATED [KEGG_COMPOUND] synonym: "p-nitrophenylamine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:508690 {source="Beilstein"} xref: CAS:100-01-6 {source="KEGG COMPOUND"} xref: CAS:100-01-6 {source="NIST Chemistry WebBook"} xref: CAS:100-01-6 {source="ChemIDplus"} xref: Gmelin:27331 {source="Gmelin"} xref: KEGG:C02126 xref: MetaCyc:4-NITROANILINE xref: PDBeChem:NIT xref: PMID:23090935 {source="Europe PMC"} xref: PMID:24116023 {source="Europe PMC"} xref: Reaxys:508690 {source="Reaxys"} xref: Wikipedia:4-Nitroaniline is_a: CHEBI:25550 ! nitroaniline relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TYMLOMAKGOJONV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.12400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.04293" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:17076 name: streptomycin namespace: chebi_ontology alt_id: CHEBI:15119 alt_id: CHEBI:26784 alt_id: CHEBI:45745 alt_id: CHEBI:9284 def: "A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class" [] subset: 3_STAR synonym: "2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside" RELATED [ChemIDplus] synonym: "[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}" RELATED [IUPAC] synonym: "Kantrex" RELATED BRAND_NAME [DrugBank] synonym: "N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "SM" RELATED [KEGG_DRUG] synonym: "streomycin" RELATED [ChEBI] synonym: "STREPTOMYCIN" EXACT [PDBeChem] synonym: "streptomycin" RELATED INN [KEGG_DRUG] xref: Beilstein:74498 {source="Beilstein"} xref: CAS:57-92-1 {source="KEGG COMPOUND"} xref: CAS:57-92-1 {source="ChemIDplus"} xref: Drug_Central:2481 {source="DrugCentral"} xref: DrugBank:DB01082 xref: HMDB:HMDB0015214 xref: KEGG:C00413 xref: KEGG:D08531 xref: MetaCyc:STREPTOMYCIN xref: PDBeChem:SRY xref: Pesticides:streptomycin {source="Alan Wood's Pesticides"} xref: PMID:11228320 {source="Europe PMC"} xref: PMID:11905029 {source="Europe PMC"} xref: PMID:12118520 {source="Europe PMC"} xref: PMID:13030054 {source="Europe PMC"} xref: PMID:13116094 {source="Europe PMC"} xref: PMID:13136149 {source="Europe PMC"} xref: PMID:13596285 {source="Europe PMC"} xref: PMID:13691614 {source="Europe PMC"} xref: PMID:13985260 {source="Europe PMC"} xref: PMID:13990247 {source="Europe PMC"} xref: PMID:14623118 {source="Europe PMC"} xref: PMID:14828344 {source="Europe PMC"} xref: PMID:14852338 {source="Europe PMC"} xref: PMID:14939639 {source="Europe PMC"} xref: PMID:15081082 {source="Europe PMC"} xref: PMID:15137533 {source="Europe PMC"} xref: PMID:15207172 {source="Europe PMC"} xref: PMID:15686853 {source="Europe PMC"} xref: PMID:15736038 {source="Europe PMC"} xref: PMID:16904706 {source="Europe PMC"} xref: PMID:17105735 {source="Europe PMC"} xref: PMID:17238915 {source="Europe PMC"} xref: PMID:17429930 {source="Europe PMC"} xref: PMID:18173084 {source="Europe PMC"} xref: PMID:18916143 {source="Europe PMC"} xref: PMID:19052412 {source="Europe PMC"} xref: PMID:19335957 {source="Europe PMC"} xref: PMID:21350946 {source="Europe PMC"} xref: PMID:21362244 {source="Europe PMC"} xref: PMID:21593257 {source="Europe PMC"} xref: PMID:21937264 {source="Europe PMC"} xref: PMID:22101040 {source="Europe PMC"} xref: Reaxys:74498 {source="Reaxys"} xref: Wikipedia:Streptomycin is_a: CHEBI:26788 ! streptomycins is_a: CHEBI:87113 ! antibiotic antifungal drug is_a: CHEBI:87114 ! antibiotic fungicide relationship: has_functional_parent CHEBI:27405 ! streptidine relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:86328 ! antifungal agrochemical relationship: is_conjugate_base_of CHEBI:58007 ! streptomycin(3+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H39N7O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCSJYZPVAKXKNQ-HZYVHMACSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "581.57434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "581.26567" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N" xsd:string [Term] id: CHEBI:17087 name: ketone namespace: chebi_ontology alt_id: CHEBI:13427 alt_id: CHEBI:13646 alt_id: CHEBI:24974 alt_id: CHEBI:6127 alt_id: CHEBI:8742 def: "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H)." [] subset: 3_STAR synonym: "a ketone" RELATED [UniProt] synonym: "cetone" RELATED [ChEBI] synonym: "Keton" RELATED [ChEBI] synonym: "Ketone" EXACT [KEGG_COMPOUND] synonym: "ketones" EXACT IUPAC_NAME [IUPAC] synonym: "ketones" RELATED [ChEBI] synonym: "R-CO-R'" RELATED [KEGG_COMPOUND] xref: KEGG:C01450 xref: Wikipedia:Ketone is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17088 name: monoacyl-sn-glycerol 3-phosphate namespace: chebi_ontology alt_id: CHEBI:13726 alt_id: CHEBI:22224 alt_id: CHEBI:2460 def: "An sn-glycero-3-phosphate compound having a single unspecified acyl group at either position 1 or position 2." [] subset: 3_STAR synonym: "Acyl-sn-glycerol 3-phosphate" RELATED [KEGG_COMPOUND] synonym: "acyl-sn-glycerol 3-phosphates" RELATED [ChEBI] xref: KEGG:C03849 is_a: CHEBI:16961 ! monoacylglycerol phosphate is_a: CHEBI:26706 ! sn-glycerol 3-phosphates relationship: is_conjugate_acid_of CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) [Term] id: CHEBI:17089 name: glycoprotein namespace: chebi_ontology alt_id: CHEBI:14349 alt_id: CHEBI:5481 alt_id: CHEBI:5493 def: "A compound in which a carbohydrate component is covalently bound to a protein component." [] subset: 3_STAR synonym: "a glycoprotein" RELATED [UniProt] synonym: "glicoproteina" RELATED [ChEBI] synonym: "glicoproteinas" RELATED [ChEBI] synonym: "Glycoprotein" EXACT [KEGG_COMPOUND] synonym: "glycoproteine" RELATED [ChEBI] synonym: "glycoproteines" RELATED [ChEBI] synonym: "glycoproteins" EXACT IUPAC_NAME [IUPAC] synonym: "Glykoprotein" RELATED [ChEBI] synonym: "Glykoproteine" RELATED [ChEBI] xref: KEGG:C00326 is_a: CHEBI:33837 ! conjugated protein is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:17097 name: biphenyl namespace: chebi_ontology alt_id: CHEBI:13909 alt_id: CHEBI:22887 alt_id: CHEBI:3113 alt_id: CHEBI:41238 def: "A benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. subset: 3_STAR synonym: "1,1'-Biphenyl" RELATED [KEGG_COMPOUND] synonym: "1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "1,1'-Diphenyl" RELATED [KEGG_COMPOUND] synonym: "Biphenyl" EXACT [KEGG_COMPOUND] synonym: "biphenyl" EXACT [UniProt] synonym: "E230" RELATED [ChEBI] synonym: "Phenylbenzene" RELATED [KEGG_COMPOUND] xref: Beilstein:1634058 {source="Beilstein"} xref: CAS:92-52-4 {source="KEGG COMPOUND"} xref: CAS:92-52-4 {source="NIST Chemistry WebBook"} xref: CAS:92-52-4 {source="ChemIDplus"} xref: Codex:\:230 xref: Europe:\:230 xref: Gmelin:3808 {source="Gmelin"} xref: HMDB:HMDB0034437 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3016 xref: KEGG:C06588 xref: MetaCyc:BIPHENYL xref: PDBeChem:BNL xref: Pesticides:biphenyl {source="Alan Wood's Pesticides"} xref: PMID:21337247 {source="Europe PMC"} xref: PMID:21575716 {source="Europe PMC"} xref: PPDB:82 xref: Reaxys:1634058 {source="Reaxys"} xref: UM-BBD_compID:c0371 {source="UM-BBD"} xref: Wikipedia:Biphenyl is_a: CHEBI:22712 ! benzenes is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:87034 ! aromatic fungicide is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: hasSynonym "diphenyl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZUOUZKKEUPVFJK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.20780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc(cc1)-c1ccccc1" xsd:string property_value: IAO:0000118 "biphenyl, diphenyl" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17102 name: phosphoramide namespace: chebi_ontology alt_id: CHEBI:14827 alt_id: CHEBI:26076 alt_id: CHEBI:8162 def: "A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2)." [] subset: 3_STAR synonym: "phosphamide" RELATED [ChEBI] synonym: "phosphamides" RELATED [ChEBI] synonym: "phosphoramides" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide relationship: has_functional_parent CHEBI:26078 ! phosphoric acid [Term] id: CHEBI:17120 name: hexanoate namespace: chebi_ontology alt_id: CHEBI:14398 alt_id: CHEBI:24569 def: "A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid)." [] subset: 3_STAR synonym: "1-hexanoate" RELATED [ChEBI] synonym: "1-pentacarboxylate" RELATED [ChEBI] synonym: "1-pentanecarboxylate" RELATED [ChEBI] synonym: "butylacetate" RELATED [ChEBI] synonym: "caproate" RELATED [ChEBI] synonym: "capronate" RELATED [ChEBI] synonym: "CH3-[CH2]4-COO(-)" RELATED [IUPAC] synonym: "hexanoate" EXACT [UniProt] synonym: "hexanoate" EXACT IUPAC_NAME [IUPAC] synonym: "hexoate" RELATED [ChEBI] synonym: "hexylate" RELATED [ChEBI] synonym: "n-caproate" RELATED [ChEBI] synonym: "n-hexanoate" RELATED [ChEBI] synonym: "n-hexoate" RELATED [ChEBI] synonym: "n-hexylate" RELATED [ChEBI] synonym: "nPnCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "pentanecarboxylate" RELATED [ChEBI] synonym: "pentylformate" RELATED [ChEBI] xref: Beilstein:3601453 {source="Beilstein"} xref: CAS:151-33-7 {source="Beilstein"} xref: ECMDB:ECMDB21229 xref: Gmelin:326340 {source="Gmelin"} xref: KEGG:C01585 xref: MetaCyc:HEXANOATE is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78116 ! fatty acid anion 6:0 relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30776 ! hexanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUZZWVXGSFPDMH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.15034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.07645" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC([O-])=O" xsd:string [Term] id: CHEBI:17137 name: hydrogensulfite namespace: chebi_ontology alt_id: CHEBI:13367 alt_id: CHEBI:5598 subset: 3_STAR synonym: "[SO2(OH)](-)" RELATED [IUPAC] synonym: "Bisulfite" RELATED [KEGG_COMPOUND] synonym: "bisulfite" RELATED [ChemIDplus] synonym: "bisulphite" RELATED [ChemIDplus] synonym: "HSO3(-)" RELATED [IUPAC] synonym: "HSO3-" RELATED [KEGG_COMPOUND] synonym: "Hydrogen sulfite" RELATED [KEGG_COMPOUND] synonym: "hydrogen sulfite(1-)" RELATED [ChemIDplus] synonym: "hydrogen(trioxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfite(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfite anion" RELATED [ChemIDplus] synonym: "hydroxidodioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "monohydrogentrioxosulfate" EXACT IUPAC_NAME [IUPAC] xref: CAS:15181-46-1 {source="KEGG COMPOUND"} xref: CAS:15181-46-1 {source="ChemIDplus"} xref: Gmelin:1455 {source="Gmelin"} xref: KEGG:C11481 xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17359 ! sulfite relationship: is_conjugate_base_of CHEBI:48854 ! sulfurous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS([O-])=O" xsd:string [Term] id: CHEBI:17148 name: putrescine namespace: chebi_ontology alt_id: CHEBI:14972 alt_id: CHEBI:26405 alt_id: CHEBI:45092 alt_id: CHEBI:8650 def: "A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh." [] subset: 3_STAR synonym: "1,4-Butanediamine" RELATED [KEGG_COMPOUND] synonym: "1,4-butylenediamine" RELATED [ChemIDplus] synonym: "1,4-DIAMINOBUTANE" RELATED [PDBeChem] synonym: "1,4-tetramethylenediamine" RELATED [NIST_Chemistry_WebBook] synonym: "Butane-1,4-diamine" RELATED [KEGG_COMPOUND] synonym: "butane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "butylenediamine" RELATED [ChemIDplus] synonym: "H2N(CH2)4NH2" RELATED [NIST_Chemistry_WebBook] synonym: "Putrescin" RELATED [ChEBI] synonym: "putrescina" RELATED [ChEBI] synonym: "Putrescine" EXACT [KEGG_COMPOUND] synonym: "Putreszin" RELATED [ChEBI] synonym: "Tetramethylendiamin" RELATED [ChEBI] synonym: "Tetramethylenediamine" RELATED [KEGG_COMPOUND] xref: Beilstein:605282 {source="Beilstein"} xref: BPDB:1393 xref: CAS:110-60-1 {source="KEGG COMPOUND"} xref: CAS:110-60-1 {source="NIST Chemistry WebBook"} xref: CAS:110-60-1 {source="ChemIDplus"} xref: DrugBank:DB01917 xref: ECMDB:ECMDB01414 xref: Gmelin:1715 {source="Gmelin"} xref: HMDB:HMDB0001414 xref: KEGG:C00134 xref: KNApSAcK:C00001428 xref: MetaCyc:PUTRESCINE xref: PDBeChem:PUT xref: PMID:12053479 {source="Europe PMC"} xref: PMID:15453685 {source="Europe PMC"} xref: PMID:16346523 {source="Europe PMC"} xref: PMID:18721677 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:24331418 {source="Europe PMC"} xref: PMID:24820075 {source="Europe PMC"} xref: PMID:24864091 {source="Europe PMC"} xref: Reaxys:605282 {source="Reaxys"} xref: Wikipedia:Putrescine xref: YMDB:YMDB00132 is_a: CHEBI:35411 ! alkane-alpha,omega-diamine relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:326268 ! 1,4-butanediammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KIDHWZJUCRJVML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.15150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.10005" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCN" xsd:string [Term] id: CHEBI:17153 name: propanal namespace: chebi_ontology alt_id: CHEBI:14898 alt_id: CHEBI:26281 alt_id: CHEBI:41359 alt_id: CHEBI:45052 alt_id: CHEBI:8468 def: "An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals." [] subset: 3_STAR synonym: "1-Propanal" RELATED [NIST_Chemistry_WebBook] synonym: "Aldehyde propionique" RELATED [ChemIDplus] synonym: "C2H5CHO" RELATED [NIST_Chemistry_WebBook] synonym: "Methylacetaldehyde" RELATED [ChemIDplus] synonym: "n-Propanal" RELATED [ChemIDplus] synonym: "n-Propionaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Propaldehyde" RELATED [ChemIDplus] synonym: "Propanal" EXACT [KEGG_COMPOUND] synonym: "propanal" EXACT [UniProt] synonym: "Propanaldehyde" RELATED [ChemIDplus] synonym: "Propional" RELATED [ChemIDplus] synonym: "Propionaldehyde" RELATED [KEGG_COMPOUND] synonym: "propionaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Propionic aldehyde" RELATED [ChemIDplus] synonym: "Propyl aldehyde" RELATED [ChemIDplus] synonym: "Propylaldehyde" RELATED [ChemIDplus] synonym: "Propylic aldehyde" RELATED [ChemIDplus] xref: CAS:123-38-6 {source="KEGG COMPOUND"} xref: CAS:123-38-6 {source="NIST Chemistry WebBook"} xref: CAS:123-38-6 {source="ChemIDplus"} xref: HMDB:HMDB0003366 xref: KEGG:C00479 xref: MetaCyc:CPD-665 xref: PDBeChem:CBG xref: PMID:20097366 {source="Europe PMC"} xref: PMID:21568340 {source="Europe PMC"} xref: Reaxys:506010 {source="Reaxys"} xref: UM-BBD_compID:c0207 {source="UM-BBD"} xref: Wikipedia:Propanal is_a: CHEBI:26282 ! propanals is_a: CHEBI:73359 ! alpha-CH2-containing aldehyde relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBBJYMSMWIIQGU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.07910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)CC" xsd:string [Term] id: CHEBI:17154 name: nicotinamide namespace: chebi_ontology alt_id: CHEBI:14645 alt_id: CHEBI:25521 alt_id: CHEBI:44258 alt_id: CHEBI:7556 def: "A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group." [] subset: 3_STAR synonym: "3-carbamoylpyridine" RELATED [ChemIDplus] synonym: "3-pyridinecarboxamide" RELATED [NIST_Chemistry_WebBook] synonym: "beta-pyridinecarboxamide" RELATED [ChemIDplus] synonym: "beta-pyridinecarboxamide" RELATED [NIST_Chemistry_WebBook] synonym: "m-(aminocarbonyl)pyridine" RELATED [ChemIDplus] synonym: "niacin" RELATED [ChEBI] synonym: "Niacinamide" RELATED [KEGG_COMPOUND] synonym: "niamide" RELATED [ChemIDplus] synonym: "Nicotinamid" RELATED [ChEBI] synonym: "nicotinamida" RELATED INN [WHO_MedNet] synonym: "nicotinamide" EXACT [UniProt] synonym: "nicotinamide" RELATED INN [WHO_MedNet] synonym: "nicotinamidum" RELATED INN [WHO_MedNet] synonym: "nicotine acid amide" RELATED [ChemIDplus] synonym: "nicotine amide" RELATED [ChemIDplus] synonym: "nicotinic acid amide" RELATED [ChemIDplus] synonym: "nicotinic amide" RELATED [ChemIDplus] synonym: "Nicotinsaeureamid" RELATED [ChEBI] synonym: "nicotylamide" RELATED [ChemIDplus] synonym: "Nikotinamid" RELATED [ChemIDplus] synonym: "Nikotinsaeureamid" RELATED [ChEBI] synonym: "pyridine-3-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "pyridine-3-carboxylic acid amide" RELATED [ChemIDplus] synonym: "vitamin B3" RELATED [ChemIDplus] synonym: "Vitamin PP" RELATED [KEGG_COMPOUND] xref: Beilstein:383619 {source="Beilstein"} xref: CAS:98-92-0 {source="ChemIDplus"} xref: CAS:98-92-0 {source="NIST Chemistry WebBook"} xref: CAS:98-92-0 {source="KEGG COMPOUND"} xref: Drug_Central:1906 {source="DrugCentral"} xref: DrugBank:DB02701 xref: FooDB:FDB012485 xref: Gmelin:3336 {source="Gmelin"} xref: HMDB:HMDB0001406 xref: KEGG:C00153 xref: KEGG:D00036 xref: KNApSAcK:C00000209 xref: LINCS:LSM-5428 xref: MetaCyc:NIACINAMIDE xref: Patent:US2904552 xref: Patent:US2993051 xref: PDBeChem:NCA xref: PMID:10884473 {source="Europe PMC"} xref: PMID:11355130 {source="Europe PMC"} xref: PMID:11814060 {source="Europe PMC"} xref: PMID:12014919 {source="Europe PMC"} xref: PMID:12487919 {source="Europe PMC"} xref: PMID:12519385 {source="Europe PMC"} xref: PMID:12709297 {source="Europe PMC"} xref: PMID:12782109 {source="Europe PMC"} xref: PMID:12890690 {source="Europe PMC"} xref: PMID:14729974 {source="Europe PMC"} xref: PMID:14757966 {source="Europe PMC"} xref: PMID:14871431 {source="Europe PMC"} xref: PMID:15497767 {source="Europe PMC"} xref: PMID:15563975 {source="Europe PMC"} xref: PMID:15780941 {source="Europe PMC"} xref: PMID:15807725 {source="Europe PMC"} xref: PMID:15834926 {source="Europe PMC"} xref: PMID:15995937 {source="Europe PMC"} xref: PMID:16029679 {source="Europe PMC"} xref: PMID:16209160 {source="Europe PMC"} xref: PMID:16596767 {source="Europe PMC"} xref: PMID:16766489 {source="Europe PMC"} xref: PMID:16871361 {source="Europe PMC"} xref: PMID:17021258 {source="Europe PMC"} xref: PMID:17129213 {source="Europe PMC"} xref: PMID:18234191 {source="Europe PMC"} xref: PMID:18316796 {source="Europe PMC"} xref: PMID:18368629 {source="Europe PMC"} xref: PMID:18373238 {source="Europe PMC"} xref: PMID:18389009 {source="Europe PMC"} xref: PMID:18514428 {source="Europe PMC"} xref: PMID:18930755 {source="Europe PMC"} xref: PMID:18987186 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19539713 {source="Europe PMC"} xref: PMID:19544437 {source="Europe PMC"} xref: PMID:2026685 {source="Europe PMC"} xref: PMID:21503886 {source="Europe PMC"} xref: PMID:21891976 {source="Europe PMC"} xref: PMID:21918528 {source="Europe PMC"} xref: PMID:21926578 {source="Europe PMC"} xref: PMID:22067079 {source="Europe PMC"} xref: PMID:22160932 {source="Europe PMC"} xref: PMID:22207684 {source="Europe PMC"} xref: PMID:22232263 {source="Europe PMC"} xref: PMID:22281243 {source="Europe PMC"} xref: PMID:22359146 {source="Europe PMC"} xref: PMID:22361740 {source="Europe PMC"} xref: PMID:22407380 {source="Europe PMC"} xref: PMID:22456321 {source="Europe PMC"} xref: PMID:22536229 {source="Europe PMC"} xref: PMID:22543086 {source="Europe PMC"} xref: PMID:22626821 {source="Europe PMC"} xref: PMID:22699421 {source="Europe PMC"} xref: PMID:22709272 {source="Europe PMC"} xref: PMID:22763693 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23016598 {source="Europe PMC"} xref: PMID:23028781 {source="Europe PMC"} xref: PMID:23043891 {source="Europe PMC"} xref: PMID:23047329 {source="Europe PMC"} xref: PMID:24027187 {source="Europe PMC"} xref: PMID:24077178 {source="Europe PMC"} xref: PMID:24559077 {source="Europe PMC"} xref: PMID:24635573 {source="Europe PMC"} xref: PMID:25504347 {source="Europe PMC"} xref: PMID:25561219 {source="Europe PMC"} xref: PMID:31710686 {source="Europe PMC"} xref: PMID:32249824 {source="Europe PMC"} xref: PMID:33196157 {source="Europe PMC"} xref: PMID:33471934 {source="Europe PMC"} xref: PMID:8620561 {source="Europe PMC"} xref: PMID:8767167 {source="Europe PMC"} xref: PMID:9518388 {source="Europe PMC"} xref: Reaxys:383619 {source="Reaxys"} xref: Wikipedia:Nicotinamide is_a: CHEBI:176839 ! vitamin B3 is_a: CHEBI:25529 ! pyridinecarboxamide is_a: CHEBI:26416 ! pyridine alkaloid relationship: has_functional_parent CHEBI:15940 ! nicotinic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:62913 ! EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:71181 ! Sir2 inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFPAKSUCGFBDDF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.12472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)c1cccnc1" xsd:string [Term] id: CHEBI:17158 name: methylglyoxal namespace: chebi_ontology alt_id: CHEBI:11643 alt_id: CHEBI:14599 alt_id: CHEBI:25303 alt_id: CHEBI:6875 def: "A 2-oxo aldehyde derived from propanal." [] subset: 3_STAR synonym: "1,2-propanedione" RELATED [NIST_Chemistry_WebBook] synonym: "2-Ketopropionaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-Oxopropanal" RELATED [KEGG_COMPOUND] synonym: "2-oxopropanal" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropionaldehyde" RELATED [ChemIDplus] synonym: "acetylformaldehyde" RELATED [ChemIDplus] synonym: "acetylformyl" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-ketopropionaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "CH3COCHO" RELATED [NIST_Chemistry_WebBook] synonym: "Methylglyoxal" EXACT [KEGG_COMPOUND] synonym: "methylglyoxal" EXACT [UniProt] synonym: "Pyruvaldehyde" RELATED [KEGG_COMPOUND] synonym: "Pyruvic aldehyde" RELATED [KEGG_COMPOUND] xref: Beilstein:906750 {source="Beilstein"} xref: CAS:78-98-8 {source="ChemIDplus"} xref: CAS:78-98-8 {source="NIST Chemistry WebBook"} xref: CAS:78-98-8 {source="KEGG COMPOUND"} xref: KEGG:C00546 xref: KNApSAcK:C00007562 xref: PMID:10373458 {source="Europe PMC"} xref: PMID:10723098 {source="Europe PMC"} xref: PMID:11504881 {source="Europe PMC"} xref: PMID:15520007 {source="Europe PMC"} xref: PMID:17103372 {source="Europe PMC"} xref: PMID:19202315 {source="Europe PMC"} xref: PMID:20096340 {source="Europe PMC"} xref: PMID:22983866 {source="Europe PMC"} xref: PMID:23543734 {source="Europe PMC"} xref: PMID:23845007 {source="Europe PMC"} xref: PMID:24040205 {source="Europe PMC"} xref: PMID:24168114 {source="Europe PMC"} xref: PMID:26861824 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} xref: Reaxys:906750 {source="Reaxys"} xref: Wikipedia:Methylglyoxal is_a: CHEBI:26282 ! propanals is_a: CHEBI:27659 ! 2-oxo aldehyde relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AIJULSRZWUXGPQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.06266" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C(C)=O" xsd:string [Term] id: CHEBI:171664 name: antiamoebic agent namespace: chebi_ontology def: "An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae." [] subset: 3_STAR synonym: "amebicide" RELATED [ChEBI] synonym: "amebicides" RELATED [ChEBI] synonym: "amoebicide" RELATED [ChEBI] synonym: "amoebicides" RELATED [ChEBI] synonym: "anti-amoebic agent" RELATED [ChEBI] synonym: "anti-amoebic agents" RELATED [ChEBI] synonym: "anti-amoebic drug" RELATED [ChEBI] synonym: "anti-amoebic drugs" RELATED [ChEBI] synonym: "antiamoebic" RELATED [ChEBI] synonym: "antiamoebic agents" RELATED [ChEBI] synonym: "antiamoebic drug" RELATED [ChEBI] synonym: "antiamoebic drugs" RELATED [ChEBI] synonym: "antiamoebics" RELATED [ChEBI] is_a: CHEBI:35442 ! antiparasitic agent [Term] id: CHEBI:17170 name: dimethylamine namespace: chebi_ontology alt_id: CHEBI:14170 alt_id: CHEBI:23805 alt_id: CHEBI:42136 alt_id: CHEBI:4618 def: "A secondary aliphatic amine where both N-substituents are methyl." [] subset: 3_STAR synonym: "DIMETHYLAMINE" EXACT [PDBeChem] synonym: "Dimethylamine" EXACT [KEGG_COMPOUND] synonym: "DMA" RELATED [ChEBI] synonym: "HNMe2" RELATED [ChEBI] synonym: "Me2NH" RELATED [ChEBI] synonym: "N,N-Dimethylamine" RELATED [HMDB] synonym: "N,N-dimethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "N-methylmethanamine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:605257 {source="Beilstein"} xref: CAS:124-40-3 {source="NIST Chemistry WebBook"} xref: CAS:124-40-3 {source="ChemIDplus"} xref: CAS:124-40-3 {source="KEGG COMPOUND"} xref: Gmelin:849 {source="Gmelin"} xref: HMDB:HMDB0000087 xref: KEGG:C00543 xref: MetaCyc:DIMETHYLAMINE xref: PDBeChem:DMN xref: PMID:17190852 {source="Europe PMC"} xref: PMID:18282650 {source="Europe PMC"} xref: PMID:22074457 {source="Europe PMC"} xref: Reaxys:605257 {source="Reaxys"} xref: Wikipedia:Dimethylamine is_a: CHEBI:25274 ! methylamines is_a: CHEBI:50981 ! secondary aliphatic amine relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_base_of CHEBI:58040 ! dimethylaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROSDSFDQCJNGOL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.08372" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N(C)C" xsd:string [Term] id: CHEBI:17187 name: pinene namespace: chebi_ontology alt_id: CHEBI:14839 alt_id: CHEBI:26134 alt_id: CHEBI:8215 subset: 3_STAR synonym: "Pinene" EXACT [KEGG_COMPOUND] synonym: "pinene" EXACT [UniProt] xref: KEGG:C06077 is_a: CHEBI:35187 ! monoterpene relationship: has_parent_hydride CHEBI:35710 ! pinane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.12520" xsd:string [Term] id: CHEBI:17188 name: nucleoside 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:14676 alt_id: CHEBI:25607 alt_id: CHEBI:7439 alt_id: CHEBI:7653 alt_id: CHEBI:7654 subset: 3_STAR synonym: "NMP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside monophosphate" RELATED [KEGG_COMPOUND] synonym: "nucleoside monophosphate" RELATED [ChEBI] synonym: "nucleoside monophosphates" RELATED [ChEBI] synonym: "Nucleoside phosphate" RELATED [KEGG_COMPOUND] xref: KEGG:C01329 xref: KEGG:C02520 is_a: CHEBI:25608 ! nucleoside phosphate relationship: is_conjugate_acid_of CHEBI:58043 ! nucleoside 5'-monophosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.103" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.01641" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1[C@H]([*])O[C@H](COP(O)(O)=O)[C@H]1O" xsd:string [Term] id: CHEBI:17192 name: 3,5-dibromo-4-hydroxybenzonitrile namespace: chebi_ontology alt_id: CHEBI:11706 alt_id: CHEBI:1396 alt_id: CHEBI:19898 def: "A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4." [] subset: 3_STAR synonym: "2,6-dibromo-4-cyanophenol" RELATED [NIST_Chemistry_WebBook] synonym: "3,5-Dibromo-4-hydroxybenzonitrile" EXACT [KEGG_COMPOUND] synonym: "3,5-dibromo-4-hydroxybenzonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "bromoxynil" RELATED [ChemIDplus] xref: Beilstein:2364039 {source="ChemIDplus"} xref: CAS:1689-84-5 {source="ChemIDplus"} xref: CAS:1689-84-5 {source="KEGG COMPOUND"} xref: CAS:1689-84-5 {source="NIST Chemistry WebBook"} xref: Gmelin:1473439 {source="Gmelin"} xref: KEGG:C04178 xref: Pesticides:bromoxynil {source="Alan Wood's Pesticides"} xref: PMID:11910467 {source="Europe PMC"} xref: PMID:24458090 {source="Europe PMC"} xref: PPDB:96 xref: UM-BBD_compID:c0480 {source="UM-BBD"} xref: Wikipedia:Bromoxynil is_a: CHEBI:24730 ! hydroxynitrile is_a: CHEBI:33853 ! phenols is_a: CHEBI:37147 ! dibromobenzene relationship: has_functional_parent CHEBI:19391 ! 2,6-dibromophenol relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:58046 ! 3,5-dibromo-4-oxidobenzonitrile(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H3Br2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UPMXNNIRAGDFEH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "276.91286" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.85814" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(Br)cc(cc1Br)C#N" xsd:string [Term] id: CHEBI:17194 name: bromochloromethane namespace: chebi_ontology alt_id: CHEBI:13919 alt_id: CHEBI:22932 alt_id: CHEBI:3180 def: "A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom." [] subset: 3_STAR synonym: "bromo(chloro)methane" EXACT IUPAC_NAME [IUPAC] synonym: "Bromochloromethane" EXACT [KEGG_COMPOUND] synonym: "bromochloromethane" EXACT [UniProt] synonym: "chlorobromomethane" RELATED [NIST_Chemistry_WebBook] synonym: "chloromethyl bromide" RELATED [ChemIDplus] synonym: "Methylene chlorobromide" RELATED [KEGG_COMPOUND] synonym: "monochloromonobromomethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1730801 {source="Beilstein"} xref: CAS:74-97-5 {source="KEGG COMPOUND"} xref: CAS:74-97-5 {source="NIST Chemistry WebBook"} xref: CAS:74-97-5 {source="ChemIDplus"} xref: Gmelin:25577 {source="Gmelin"} xref: KEGG:C02661 xref: MetaCyc:CPD-614 xref: PMID:19243639 {source="Europe PMC"} xref: PMID:22719758 {source="Europe PMC"} xref: PMID:23638678 {source="Europe PMC"} xref: Reaxys:1730801 {source="Reaxys"} xref: Wikipedia:Bromochloromethane is_a: CHEBI:39279 ! halomethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2BrCl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2BrCl/c2-1-3/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPOXNPPZZKNXOV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.38328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "127.90284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCBr" xsd:string [Term] id: CHEBI:17203 name: L-proline namespace: chebi_ontology alt_id: CHEBI:13154 alt_id: CHEBI:184637 alt_id: CHEBI:21373 alt_id: CHEBI:42067 alt_id: CHEBI:45040 alt_id: CHEBI:45100 alt_id: CHEBI:45159 alt_id: CHEBI:6286 def: "Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles." [] subset: 3_STAR synonym: "(-)-(S)-proline" RELATED [NIST_Chemistry_WebBook] synonym: "(-)-2-pyrrolidinecarboxylic acid" RELATED [ChemIDplus] synonym: "(-)-proline" RELATED [ChemIDplus] synonym: "(2S)-pyrrolidine-2-carboxylic acid" RELATED [IUPAC] synonym: "(S)-2-carboxypyrrolidine" RELATED [DrugBank] synonym: "(S)-2-pyrrolidinecarboxylic acid" RELATED [ChemIDplus] synonym: "(S)-pyrrolidine-2-carboxylic acid" RELATED [ChEBI] synonym: "2-Pyrrolidinecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "L-(-)-proline" RELATED [NIST_Chemistry_WebBook] synonym: "L-alpha-pyrrolidinecarboxylic acid" RELATED [ChemIDplus] synonym: "L-Prolin" RELATED [ChEBI] synonym: "L-Proline" EXACT [KEGG_COMPOUND] synonym: "L-proline" EXACT IUPAC_NAME [IUPAC] synonym: "L-pyrrolidine-2-carboxylic acid" RELATED [ChemIDplus] synonym: "P" RELATED [ChEBI] synonym: "prolina" RELATED [ChemIDplus] synonym: "PROLINE" RELATED [PDBeChem] synonym: "proline" RELATED INN [ChemIDplus] synonym: "prolinum" RELATED [ChemIDplus] xref: Beilstein:80810 {source="Beilstein"} xref: CAS:147-85-3 {source="NIST Chemistry WebBook"} xref: CAS:147-85-3 {source="ChemIDplus"} xref: CAS:147-85-3 {source="KEGG COMPOUND"} xref: Drug_Central:4125 {source="DrugCentral"} xref: DrugBank:DB00172 xref: Gmelin:50152 {source="Gmelin"} xref: HMDB:HMDB0000162 xref: KEGG:C00148 xref: KEGG:D00035 xref: KNApSAcK:C00001388 xref: MetaCyc:PRO xref: PDBeChem:PRO xref: PMID:11076505 {source="Europe PMC"} xref: PMID:12770004 {source="Europe PMC"} xref: PMID:14975886 {source="Europe PMC"} xref: PMID:15576824 {source="Europe PMC"} xref: PMID:15838615 {source="Europe PMC"} xref: PMID:15894682 {source="Europe PMC"} xref: PMID:15973048 {source="Europe PMC"} xref: PMID:16033917 {source="Europe PMC"} xref: PMID:16190672 {source="Europe PMC"} xref: PMID:16501220 {source="Europe PMC"} xref: PMID:16656443 {source="Europe PMC"} xref: PMID:16657874 {source="Europe PMC"} xref: PMID:16668324 {source="Europe PMC"} xref: PMID:17127472 {source="Europe PMC"} xref: PMID:17608428 {source="Europe PMC"} xref: PMID:18551589 {source="Europe PMC"} xref: PMID:18802692 {source="Europe PMC"} xref: PMID:18973300 {source="Europe PMC"} xref: PMID:19215998 {source="Europe PMC"} xref: PMID:19580280 {source="Europe PMC"} xref: PMID:19656302 {source="Europe PMC"} xref: PMID:19688381 {source="Europe PMC"} xref: PMID:19811425 {source="Europe PMC"} xref: PMID:22139509 {source="Europe PMC"} xref: PMID:22201772 {source="Europe PMC"} xref: PMID:22451406 {source="Europe PMC"} xref: PMID:22475019 {source="Europe PMC"} xref: PMID:22482728 {source="Europe PMC"} xref: PMID:22491679 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:80810 {source="Reaxys"} xref: Wikipedia:L-proline is_a: CHEBI:24318 ! glutamine family amino acid is_a: CHEBI:26271 ! proline relationship: has_role CHEBI:23366 ! compatible osmolytes relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32862 ! L-prolinate relationship: is_conjugate_base_of CHEBI:32864 ! L-prolinium relationship: is_enantiomer_of CHEBI:16313 ! D-proline relationship: is_tautomer_of CHEBI:60039 ! L-proline zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@@H]1CCCN1" xsd:string [Term] id: CHEBI:17217 name: 2-butenoic acid namespace: chebi_ontology alt_id: CHEBI:1027 alt_id: CHEBI:19484 alt_id: CHEBI:19485 def: "A butenoic acid having the double bond at position C-2." [] subset: 3_STAR synonym: "2-butenic acid" RELATED [ChEBI] synonym: "2-Butenoate" RELATED [KEGG_COMPOUND] synonym: "2-Butenoic acid" EXACT [KEGG_COMPOUND] synonym: "3-methylacrylic acid" RELATED [ChemIDplus] synonym: "acide crotonique" RELATED [ChEBI] synonym: "alpha-butenoic acid" RELATED [ChemIDplus] synonym: "alpha-crotonic acid" RELATED [ChemIDplus] synonym: "beta-methacrylic acid" RELATED [ChemIDplus] synonym: "beta-methylacrylic acid" RELATED [ChemIDplus] synonym: "but-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Crotonic acid" RELATED [KEGG_COMPOUND] synonym: "Crotonsaeure" RELATED [ChEBI] synonym: "CTA" RELATED [ChEBI] xref: Beilstein:1098434 {source="Beilstein"} xref: CAS:3724-65-0 {source="KEGG COMPOUND"} xref: CAS:3724-65-0 {source="ChemIDplus"} xref: Gmelin:324286 {source="Gmelin"} xref: KEGG:C01771 xref: Reaxys:1098434 {source="Reaxys"} is_a: CHEBI:22959 ! butenoic acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:36258 ! but-2-enoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LDHQCZJRKDOVOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C)=CC(O)=O" xsd:string [Term] id: CHEBI:1722 name: 3beta-hydroxy-Delta(5)-steroid namespace: chebi_ontology alt_id: CHEBI:13608 alt_id: CHEBI:136845 alt_id: CHEBI:20245 def: "Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6." [] subset: 3_STAR synonym: "3beta-hydroxy Delta(5)-steroids" RELATED [ChEBI] synonym: "3beta-hydroxy-Delta(5)-steroids" RELATED [ChEBI] synonym: "a 3beta-hydroxy-Delta(5)-steroid" RELATED [UniProt] xref: KEGG:C03836 xref: MetaCyc:3b-hydroxy-D5-steroids is_a: CHEBI:36836 ! 3beta-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H29OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.22184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CC=C4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:17231 name: m-cresol namespace: chebi_ontology alt_id: CHEBI:11771 alt_id: CHEBI:1476 alt_id: CHEBI:19988 alt_id: CHEBI:41602 def: "A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene." [] subset: 3_STAR synonym: "1-hydroxy-3-methylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "3-Cresol" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "3-methylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "3-methylphenol" RELATED [UniProt] synonym: "M-CRESOL" EXACT [PDBeChem] synonym: "m-Cresol" EXACT [KEGG_COMPOUND] synonym: "m-Kresol" RELATED [NIST_Chemistry_WebBook] synonym: "m-methylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "meta-cresol" RELATED [NIST_Chemistry_WebBook] synonym: "metacresol" RELATED [ChemIDplus] xref: Beilstein:506719 {source="Beilstein"} xref: CAS:108-39-4 {source="NIST Chemistry WebBook"} xref: CAS:108-39-4 {source="KEGG COMPOUND"} xref: CAS:108-39-4 {source="ChemIDplus"} xref: DrugBank:DB01776 xref: Gmelin:101411 {source="Gmelin"} xref: HMDB:HMDB0002048 xref: KEGG:C01467 xref: KEGG:D04951 xref: MetaCyc:CPD-112 xref: PDBeChem:CRS xref: PMID:15687000 {source="Europe PMC"} xref: PMID:23190556 {source="Europe PMC"} xref: Reaxys:506719 {source="Reaxys"} xref: UM-BBD_compID:c0282 {source="UM-BBD"} xref: Wikipedia:M-cresol is_a: CHEBI:25399 ! cresol relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLSSMJSEOOYNOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.13780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(O)c1" xsd:string [Term] id: CHEBI:17234 name: glucose namespace: chebi_ontology alt_id: CHEBI:14313 alt_id: CHEBI:24277 alt_id: CHEBI:33929 alt_id: CHEBI:5418 def: "An aldohexose used as a source of energy and metabolic intermediate." [] subset: 3_STAR synonym: "DL-glucose" RELATED [ChEBI] synonym: "Glc" RELATED [JCBN] synonym: "gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Glucose" EXACT [KEGG_COMPOUND] synonym: "glucose" EXACT IUPAC_NAME [IUPAC] synonym: "Glukose" RELATED [ChEBI] xref: CAS:50-99-7 {source="KEGG COMPOUND"} xref: KEGG:C00293 xref: Wikipedia:Glucose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:33917 ! aldohexose relationship: has_role CHEBI:78675 ! fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:172368 name: brominated flame retardant namespace: chebi_ontology def: "Any organobromine compound that is used as a flame retardant. These chemicals are widely incorporated as additives in consumer products such as electronics, vehicles, polyurethane foams etc, to make them less flammable." [] subset: 3_STAR synonym: "BFR" RELATED [ChEBI] synonym: "BFRs" RELATED [ChEBI] synonym: "brominated flame retardants" RELATED [ChEBI] xref: PMID:31797015 {source="Europe PMC"} xref: PMID:31931892 {source="Europe PMC"} xref: PMID:32588303 {source="Europe PMC"} xref: PMID:32990159 {source="Europe PMC"} xref: PMID:33218769 {source="Europe PMC"} xref: PMID:33252648 {source="Europe PMC"} xref: PMID:33265051 {source="Europe PMC"} xref: PMID:33297226 {source="Europe PMC"} xref: PMID:33310513 {source="Europe PMC"} xref: PMID:33378998 {source="Europe PMC"} xref: PMID:33406001 {source="Europe PMC"} xref: PMID:33427269 {source="Europe PMC"} xref: PMID:33592444 {source="Europe PMC"} xref: PMID:33736204 {source="Europe PMC"} xref: PMID:33773338 {source="Europe PMC"} xref: PMID:33778359 {source="Europe PMC"} xref: PMID:33837942 {source="Europe PMC"} xref: PMID:33857880 {source="Europe PMC"} xref: Wikipedia:Brominated_flame_retardant is_a: CHEBI:37141 ! organobromine compound relationship: has_role CHEBI:77853 ! persistent organic pollutant relationship: has_role CHEBI:79314 ! flame retardant [Term] id: CHEBI:172390 name: glycol ether namespace: chebi_ontology def: "A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics." [] subset: 3_STAR synonym: "glycol ethers" RELATED [ChEBI] xref: PMID:28650840 {source="Europe PMC"} xref: PMID:29536623 {source="Europe PMC"} xref: PMID:30471335 {source="Europe PMC"} xref: PMID:31518935 {source="Europe PMC"} xref: PMID:32172156 {source="Europe PMC"} xref: Wikipedia:Glycol_ethers is_a: CHEBI:46789 ! hydroxyether relationship: has_functional_parent CHEBI:13643 ! glycol relationship: has_role CHEBI:48356 ! protic solvent [Term] id: CHEBI:172397 name: perfluoroalkyl substance namespace: chebi_ontology def: "A perfluorinated compound in which the carbon chain atoms are completely fluorinated." [] subset: 3_STAR synonym: "perfluorinated alkylated substance" RELATED [ChEBI] synonym: "perfluorinated alkylated substances" RELATED [ChEBI] synonym: "perfluoroalkyl compound" RELATED [ChEBI] synonym: "perfluoroalkyl compounds" RELATED [ChEBI] synonym: "perfluoroalkyl substances" RELATED [ChEBI] synonym: "PFAS" RELATED [ChEBI] xref: Wikipedia:Per-_and_polyfluoroalkyl_substances is_a: CHEBI:134091 ! perfluorinated compound [Term] id: CHEBI:172406 name: polyfluoroalkyl substance namespace: chebi_ontology def: "An organofluorine compound that has multiple fluorine atoms attached to an alkyl chain (but atleast one of the carbon atoms in the chain is not fully fluorinated)." [] subset: 3_STAR synonym: "PFAS" RELATED [ChEBI] synonym: "polyfluoroalkyl substances" RELATED [ChEBI] xref: Wikipedia:Per-_and_polyfluoroalkyl_substances is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:17241 name: 1H-pyrazole namespace: chebi_ontology alt_id: CHEBI:26408 alt_id: CHEBI:45151 alt_id: CHEBI:8658 def: "The 1H-tautomer of pyrazole." [] subset: 3_STAR synonym: "1,2-Diazole" RELATED [KEGG_COMPOUND] synonym: "1H-Pyrazol" RELATED [ChEBI] synonym: "1H-pyrazole" EXACT IUPAC_NAME [IUPAC] synonym: "Hpz" RELATED [IUPAC] synonym: "PYRAZOLE" RELATED [PDBeChem] synonym: "Pyrazole" RELATED [KEGG_COMPOUND] synonym: "pyrazole" RELATED [UniProt] xref: Beilstein:103775 {source="Beilstein"} xref: CAS:288-13-1 {source="KEGG COMPOUND"} xref: CAS:288-13-1 {source="NIST Chemistry WebBook"} xref: CAS:288-13-1 {source="ChemIDplus"} xref: DrugBank:DB02757 xref: Gmelin:1360 {source="Gmelin"} xref: KEGG:C00481 xref: PDBeChem:PZO xref: Reaxys:103775 {source="Reaxys"} is_a: CHEBI:14973 ! pyrazole relationship: is_conjugate_acid_of CHEBI:30367 ! pyrazol-1-ide relationship: is_conjugate_base_of CHEBI:33140 ! pyrazolium relationship: is_tautomer_of CHEBI:38595 ! 3H-pyrazole relationship: is_tautomer_of CHEBI:38599 ! 4H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTKZEGDFNFYCGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.07734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1cn[nH]c1" xsd:string [Term] id: CHEBI:17245 name: carbon monoxide namespace: chebi_ontology alt_id: CHEBI:13281 alt_id: CHEBI:23013 alt_id: CHEBI:3282 alt_id: CHEBI:41526 def: "A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas." [] subset: 3_STAR synonym: "[CO]" RELATED [MolBase] synonym: "C#O" RELATED [ChEBI] synonym: "carbon monooxide" EXACT IUPAC_NAME [IUPAC] synonym: "CARBON MONOXIDE" EXACT [PDBeChem] synonym: "Carbon monoxide" EXACT [KEGG_COMPOUND] synonym: "carbon monoxide" EXACT IUPAC_NAME [IUPAC] synonym: "carbon(II) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "CO" RELATED [UniProt] synonym: "CO" RELATED [KEGG_COMPOUND] xref: Beilstein:1900508 {source="Beilstein"} xref: Beilstein:3535285 {source="Beilstein"} xref: Beilstein:3587264 {source="Beilstein"} xref: CAS:630-08-0 {source="KEGG COMPOUND"} xref: CAS:630-08-0 {source="ChemIDplus"} xref: CAS:630-08-0 {source="NIST Chemistry WebBook"} xref: Gmelin:421 {source="Gmelin"} xref: HMDB:HMDB0001361 xref: KEGG:C00237 xref: KEGG:D09706 xref: MetaCyc:CARBON-MONOXIDE xref: MolBase:753 xref: PDBeChem:CMO xref: PMID:10085152 {source="Europe PMC"} xref: PMID:10679539 {source="Europe PMC"} xref: PMID:11572959 {source="Europe PMC"} xref: PMID:14527438 {source="Europe PMC"} xref: PMID:14563665 {source="Europe PMC"} xref: PMID:15127883 {source="Europe PMC"} xref: PMID:15598489 {source="Europe PMC"} xref: PMID:16371440 {source="Europe PMC"} xref: PMID:16520836 {source="Europe PMC"} xref: PMID:17041734 {source="Europe PMC"} xref: PMID:18094356 {source="Europe PMC"} xref: PMID:19909254 {source="Europe PMC"} xref: PMID:23762709 {source="Europe PMC"} xref: PMID:7022476 {source="Europe PMC"} xref: PMID:8240252 {source="Europe PMC"} xref: PMID:8620577 {source="Europe PMC"} xref: UM-BBD_compID:c0369 {source="UM-BBD"} xref: Wikipedia:Carbon_monoxide is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:23014 ! carbon oxide is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor relationship: has_role CHEBI:50183 ! P450 inhibitor relationship: has_role CHEBI:50406 ! probe relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:52214 ! ligand relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:62488 ! signalling molecule relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:58072 ! carbon monoxide(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CO/c1-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UGFAIRIUMAVXCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C-]#[O+]" xsd:string [Term] id: CHEBI:17258 name: 7H-purine namespace: chebi_ontology alt_id: CHEBI:14968 alt_id: CHEBI:8639 def: "The 7H-tautomer of purine." [] subset: 3_STAR synonym: "7H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "Purine" RELATED [KEGG_COMPOUND] synonym: "Purine base" RELATED [KEGG_COMPOUND] xref: Beilstein:3200 {source="Beilstein"} xref: Gmelin:601779 {source="Gmelin"} xref: HMDB:HMDB0001366 xref: KEGG:C15587 xref: Reaxys:3200 {source="Reaxys"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ncc2[nH]cnc2n1" xsd:string [Term] id: CHEBI:17263 name: estrone namespace: chebi_ontology alt_id: CHEBI:14220 alt_id: CHEBI:23971 alt_id: CHEBI:4870 def: "A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17." [] subset: 3_STAR synonym: "3-Hydroxy-1,3,5(10)-estratrien-17-one" RELATED [KEGG_COMPOUND] synonym: "3-hydroxyestra-1,3,5(10)-trien-17-one" EXACT IUPAC_NAME [IUPAC] synonym: "Estrone" EXACT [KEGG_COMPOUND] synonym: "estrone" EXACT [UniProt] synonym: "estrone" RELATED INN [DrugBank] synonym: "follicular hormone" RELATED [NIST_Chemistry_WebBook] synonym: "folliculin" RELATED [NIST_Chemistry_WebBook] synonym: "oestrone" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1915077 {source="ChemIDplus"} xref: CAS:53-16-7 {source="KEGG COMPOUND"} xref: CAS:53-16-7 {source="NIST Chemistry WebBook"} xref: CAS:53-16-7 {source="ChemIDplus"} xref: Drug_Central:3188 {source="DrugCentral"} xref: DrugBank:DB00655 xref: Gmelin:542591 {source="Gmelin"} xref: HMDB:HMDB0000145 xref: KEGG:C00468 xref: KEGG:D00067 xref: KNApSAcK:C00003663 xref: LINCS:LSM-3837 xref: LIPID_MAPS_instance:LMST02010004 {source="LIPID MAPS"} xref: Patent:FR1305992 xref: Patent:US1967350 xref: Patent:US1967351 xref: PDBeChem:J3Z xref: PMID:11786692 {source="Europe PMC"} xref: PMID:13908815 {source="Europe PMC"} xref: PMID:15784278 {source="Europe PMC"} xref: PMID:17447557 {source="Europe PMC"} xref: PMID:19610377 {source="Europe PMC"} xref: PMID:23647561 {source="Europe PMC"} xref: PMID:24390165 {source="Europe PMC"} xref: PMID:24398390 {source="Europe PMC"} xref: Reaxys:1915077 {source="Reaxys"} xref: Wikipedia:Estrone is_a: CHEBI:177917 ! phenolic steroid is_a: CHEBI:19168 ! 17-oxo steroid relationship: has_parent_hydride CHEBI:23966 ! estrane relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50114 ! estrogen relationship: has_role CHEBI:50646 ! bone density conservation agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H22O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DNXHEGUUPJUMQT-CBZIJGRNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.36608" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.16198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21" xsd:string [Term] id: CHEBI:17272 name: propionate namespace: chebi_ontology alt_id: CHEBI:14903 alt_id: CHEBI:26290 def: "The conjugate base of propionic acid; a key precursor in lipid biosynthesis." [] subset: 3_STAR synonym: "carboxylatoethane" RELATED [ChEBI] synonym: "CH3-CH2-COO(-)" RELATED [IUPAC] synonym: "EtCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "ethanecarboxylate" RELATED [ChEBI] synonym: "ethylformate" RELATED [ChEBI] synonym: "metacetonate" RELATED [ChEBI] synonym: "methylacetate" RELATED [ChEBI] synonym: "propanate" RELATED [ChEBI] synonym: "propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "propanoate" RELATED [UniProt] synonym: "propanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "propionate" EXACT [IUPAC] synonym: "pseudoacetate" RELATED [ChEBI] xref: Beilstein:3587503 {source="Beilstein"} xref: CAS:72-03-7 {source="NIST Chemistry WebBook"} xref: CAS:72-03-7 {source="ChemIDplus"} xref: Gmelin:1820 {source="Gmelin"} xref: KEGG:C00163 xref: PMID:17951291 {source="Europe PMC"} xref: PMID:18375549 {source="Europe PMC"} xref: PMID:2647392 {source="Europe PMC"} xref: UM-BBD_compID:c0277 {source="UM-BBD"} is_a: CHEBI:78113 ! fatty acid anion 3:0 relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30768 ! propionic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC([O-])=O" xsd:string [Term] id: CHEBI:17295 name: L-phenylalanine namespace: chebi_ontology alt_id: CHEBI:13151 alt_id: CHEBI:21370 alt_id: CHEBI:44851 alt_id: CHEBI:44885 alt_id: CHEBI:45079 alt_id: CHEBI:6282 def: "The L-enantiomer of phenylalanine." [] subset: 3_STAR synonym: "(2S)-2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-Amino-3-phenylpropionic acid" RELATED [HMDB] synonym: "(S)-alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "3-phenyl-L-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "beta-phenyl-L-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "F" RELATED [ChEBI] synonym: "L-Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "L-phenylalanine" EXACT IUPAC_NAME [IUPAC] synonym: "Phe" RELATED [ChEBI] synonym: "PHENYLALANINE" RELATED [PDBeChem] xref: Beilstein:1910408 {source="Beilstein"} xref: CAS:63-91-2 {source="KEGG COMPOUND"} xref: CAS:63-91-2 {source="NIST Chemistry WebBook"} xref: CAS:63-91-2 {source="ChemIDplus"} xref: Drug_Central:2144 {source="DrugCentral"} xref: DrugBank:DB00120 xref: ECMDB:ECMDB00159 xref: Gmelin:50837 {source="Gmelin"} xref: HMDB:HMDB0000159 xref: KEGG:C00079 xref: KEGG:D00021 xref: KNApSAcK:C00001386 xref: MetaCyc:PHE xref: PDBeChem:PHE xref: PMID:13945318 {source="Europe PMC"} xref: PMID:16893175 {source="Europe PMC"} xref: PMID:17784858 {source="Europe PMC"} xref: PMID:21203787 {source="Europe PMC"} xref: PMID:21956539 {source="Europe PMC"} xref: PMID:22081386 {source="Europe PMC"} xref: PMID:22112574 {source="Europe PMC"} xref: PMID:22143120 {source="Europe PMC"} xref: PMID:22209218 {source="Europe PMC"} xref: PMID:22494897 {source="Europe PMC"} xref: PMID:23836015 {source="Europe PMC"} xref: PMID:24464217 {source="Europe PMC"} xref: PMID:24733517 {source="Europe PMC"} xref: PMID:24966042 {source="Europe PMC"} xref: Reaxys:1910408 {source="Reaxys"} xref: Wikipedia:Phenylalanine xref: YMDB:YMDB00304 is_a: CHEBI:28044 ! phenylalanine is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32486 ! L-phenylalaninate relationship: is_conjugate_base_of CHEBI:32487 ! L-phenylalaninium relationship: is_enantiomer_of CHEBI:16998 ! D-phenylalanine relationship: is_tautomer_of CHEBI:58095 ! L-phenylalanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:17296 name: aniline namespace: chebi_ontology alt_id: CHEBI:13834 alt_id: CHEBI:22561 alt_id: CHEBI:2732 alt_id: CHEBI:40796 def: "A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens." [] subset: 3_STAR synonym: "aminobenzene" RELATED [ChemIDplus] synonym: "aminophen" RELATED [ChemIDplus] synonym: "Anilin" RELATED [NIST_Chemistry_WebBook] synonym: "ANILINE" EXACT [PDBeChem] synonym: "Aniline" EXACT [KEGG_COMPOUND] synonym: "aniline" EXACT [UniProt] synonym: "aniline" EXACT IUPAC_NAME [IUPAC] synonym: "Benzenamine" RELATED [KEGG_COMPOUND] synonym: "benzeneamine" RELATED [NIST_Chemistry_WebBook] synonym: "kyanol" RELATED [NIST_Chemistry_WebBook] synonym: "Phenylamine" RELATED [KEGG_COMPOUND] xref: Beilstein:605631 {source="Beilstein"} xref: CAS:62-53-3 {source="NIST Chemistry WebBook"} xref: CAS:62-53-3 {source="ChemIDplus"} xref: CAS:62-53-3 {source="KEGG COMPOUND"} xref: DrugBank:DB06728 xref: Gmelin:2796 {source="Gmelin"} xref: HMDB:HMDB0003012 xref: KEGG:C00292 xref: MetaCyc:ANILINE xref: PDBeChem:ANL xref: PMID:11304127 {source="Europe PMC"} xref: PMID:17135213 {source="Europe PMC"} xref: PMID:23821252 {source="Europe PMC"} xref: PMID:3779628 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} xref: Reaxys:605631 {source="Reaxys"} xref: Wikipedia:Aniline is_a: CHEBI:22562 ! anilines is_a: CHEBI:50471 ! primary arylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAYRUJLWNCNPSJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.12650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccccc1" xsd:string [Term] id: CHEBI:17300 name: tetrachloroethene namespace: chebi_ontology alt_id: CHEBI:15216 alt_id: CHEBI:26890 alt_id: CHEBI:9471 def: "A chlorocarbon that is tetrachloro substituted ethene." [] subset: 3_STAR synonym: "1,1,2,2-tetrachloroethylene" RELATED [UM-BBD] synonym: "ethylene tetrachloride" RELATED [ChemIDplus] synonym: "PCE" RELATED [KEGG_COMPOUND] synonym: "PERC" RELATED [NIST_Chemistry_WebBook] synonym: "Perchloroethylene" RELATED [KEGG_COMPOUND] synonym: "perchloroethylene" RELATED [ChEBI] synonym: "PERK" RELATED [ChemIDplus] synonym: "Tetrachloraethen" RELATED [ChEBI] synonym: "tetrachlorethylene" RELATED [ChemIDplus] synonym: "Tetrachloroethene" EXACT [KEGG_COMPOUND] synonym: "tetrachloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "tetrachloroethene" EXACT [UniProt] synonym: "tetrachloroethylene" RELATED [ChemIDplus] synonym: "tetrachloroethylene" RELATED [ChEBI] xref: Beilstein:1304635 {source="Beilstein"} xref: CAS:127-18-4 {source="ChemIDplus"} xref: CAS:127-18-4 {source="NIST Chemistry WebBook"} xref: CAS:127-18-4 {source="KEGG COMPOUND"} xref: Drug_Central:3587 {source="DrugCentral"} xref: Gmelin:101142 {source="Gmelin"} xref: HMDB:HMDB0041980 xref: KEGG:C06789 xref: LINCS:LSM-37168 xref: MetaCyc:TETRACHLOROETHENE xref: PMID:23416178 {source="Europe PMC"} xref: PMID:23466729 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PMID:25605280 {source="Europe PMC"} xref: PMID:25690329 {source="Europe PMC"} xref: Reaxys:1304635 {source="Reaxys"} xref: UM-BBD_compID:c0004 {source="UM-BBD"} xref: Wikipedia:Tetrachloroethene is_a: CHEBI:23142 ! chloroethenes is_a: CHEBI:39226 ! chlorocarbon relationship: has_role CHEBI:50909 ! nephrotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2Cl4/c3-1(4)2(5)6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CYTYCFOTNPOANT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.83220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.87541" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)=C(Cl)Cl" xsd:string [Term] id: CHEBI:17303 name: morphine namespace: chebi_ontology alt_id: CHEBI:14622 alt_id: CHEBI:25419 alt_id: CHEBI:44202 alt_id: CHEBI:7001 def: "A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy)." [] subset: 3_STAR synonym: "(-)-morphine" RELATED [ChemIDplus] synonym: "(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol" RELATED [ChEBI] synonym: "(5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol" RELATED [NIST_Chemistry_WebBook] synonym: "(5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol" RELATED [ChemIDplus] synonym: "(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL" RELATED [PDBeChem] synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol" EXACT IUPAC_NAME [IUPAC] synonym: "morfina" RELATED [ChEBI] synonym: "Morphia" RELATED [ChemIDplus] synonym: "Morphin" RELATED [ChemIDplus] synonym: "Morphine" EXACT [KEGG_COMPOUND] synonym: "morphinum" RELATED [ChemIDplus] synonym: "morphium" RELATED [ChemIDplus] xref: Beilstein:93704 "Beilstein" xref: Beilstein:93704 {source="Beilstein"} xref: CAS:57-27-2 "KEGG COMPOUND" xref: CAS:57-27-2 {source="KEGG COMPOUND"} xref: CAS:57-27-2 {source="NIST Chemistry WebBook"} xref: CAS:57-27-2 {source="ChemIDplus"} xref: Drug_Central:1845 "DrugCentral" xref: Drug_Central:1845 {source="DrugCentral"} xref: DrugBank:DB00295 xref: KEGG:C01516 xref: KEGG:D08233 xref: KNApSAcK:C00001889 xref: MetaCyc:MORPHINE xref: PDB:1Q0Y xref: PDBeChem:MOI xref: PMID:12593758 "Europe PMC" xref: PMID:12593758 {source="Europe PMC"} xref: PMID:15019787 "Europe PMC" xref: PMID:15019787 {source="Europe PMC"} xref: PMID:17171884 "Europe PMC" xref: PMID:17171884 {source="Europe PMC"} xref: PMID:17667569 "Europe PMC" xref: PMID:17667569 {source="Europe PMC"} xref: PMID:19371311 "Europe PMC" xref: PMID:19371311 {source="Europe PMC"} xref: PMID:20071451 "Europe PMC" xref: PMID:20071451 {source="Europe PMC"} xref: PMID:21061062 {source="Europe PMC"} xref: PMID:23292329 "Europe PMC" xref: PMID:23292329 {source="Europe PMC"} xref: PMID:23325235 "Europe PMC" xref: PMID:23325235 {source="Europe PMC"} xref: PMID:23555556 "Europe PMC" xref: PMID:23555556 {source="Europe PMC"} xref: PMID:23927484 "Europe PMC" xref: PMID:23927484 {source="Europe PMC"} xref: PMID:23988259 "Europe PMC" xref: PMID:23988259 {source="Europe PMC"} xref: PMID:24096538 "Europe PMC" xref: PMID:24096538 {source="Europe PMC"} xref: PMID:24306419 "Europe PMC" xref: PMID:24306419 {source="Europe PMC"} xref: PMID:27735107 "Europe PMC" xref: PMID:27735107 {source="Europe PMC"} xref: PMID:27815868 "Europe PMC" xref: PMID:27815868 {source="Europe PMC"} xref: PMID:27866460 "Europe PMC" xref: PMID:27866460 {source="Europe PMC"} xref: PMID:29368335 "Europe PMC" xref: PMID:29368335 {source="Europe PMC"} xref: PMID:9231550 "Europe PMC" xref: PMID:9231550 {source="Europe PMC"} xref: Reaxys:93704 {source="Reaxys"} xref: Reaxys:93704 "Reaxys" xref: VSDB:2982 xref: Wikipedia:Morphine is_a: CHEBI:25418 ! morphinane alkaloid is_a: CHEBI:38164 ! organic heteropentacyclic compound is_a: CHEBI:50996 ! tertiary amino compound relationship: has_parent_hydride CHEBI:35649 ! morphinan relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38867 ! anaesthetic relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_base_of CHEBI:58097 ! morphine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQJCRHHNABKAKU-KBQPJGBKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "285.33770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "285.13649" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45" xsd:string [Term] id: CHEBI:17306 name: maltose namespace: chebi_ontology alt_id: CHEBI:14568 alt_id: CHEBI:25144 alt_id: CHEBI:6668 def: "A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage." [] comment: LanguaL curation note: Used when maltose or a high maltose sweetener is the major ingredient. subset: 3_STAR synonym: "1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-(alpha-D-glucopyranosido)-alpha-glucopyranose" RELATED [NIST_Chemistry_WebBook] synonym: "4-(alpha-D-glucosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-alpha-D-glucopyranosyl-D-glucopyranose" RELATED [IUPAC] synonym: "4-O-alpha-D-glucopyranosyl-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-D-Glcp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-malt sugar" RELATED [NIST_Chemistry_WebBook] synonym: "Cextromaltose" RELATED [NIST_Chemistry_WebBook] synonym: "D-(+)-maltose" RELATED [ChemIDplus] synonym: "D-maltose" RELATED [UniProt] synonym: "D-maltose" RELATED [NIST_Chemistry_WebBook] synonym: "Malt sugar" RELATED [KEGG_COMPOUND] synonym: "maltobiose" RELATED [NIST_Chemistry_WebBook] synonym: "Maltose" EXACT [KEGG_COMPOUND] synonym: "Malzzucker" RELATED [ChEBI] xref: Beilstein:1292747 {source="Beilstein"} xref: CAS:69-79-4 {source="KEGG COMPOUND"} xref: CAS:69-79-4 {source="NIST Chemistry WebBook"} xref: CAS:69-79-4 {source="ChemIDplus"} xref: DrugBank:DB03323 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0206 xref: KEGG:C00208 xref: KEGG:D00044 xref: KEGG:G00275 xref: KNApSAcK:C00001140 xref: PMID:16332759 {source="Europe PMC"} xref: PMID:17723085 {source="Europe PMC"} xref: PMID:22094343 {source="Europe PMC"} xref: PMID:22185612 {source="Europe PMC"} xref: PMID:22246222 {source="Europe PMC"} xref: PMID:22252265 {source="Europe PMC"} xref: PMID:22411612 {source="Europe PMC"} xref: PMID:22424089 {source="Europe PMC"} xref: PMID:22451670 {source="Europe PMC"} xref: PMID:22469630 {source="Europe PMC"} xref: PMID:22529943 {source="Europe PMC"} xref: PMID:22573161 {source="Europe PMC"} xref: PMID:22669197 {source="Europe PMC"} xref: Reaxys:1292747 {source="Reaxys"} xref: Wikipedia:Maltose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:17593 ! maltooligosaccharide is_a: CHEBI:24405 ! glycosylglucose is_a: FOODON:03420108 ! sugar relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-PICCSMPSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string property_value: IAO:0000118 "maltose" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:173084 name: ferroptosis inhibitor namespace: chebi_ontology def: "Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." [] subset: 3_STAR synonym: "ferroptosis inhibitors" RELATED [ChEBI] xref: PMID:32015325 {source="SUBMITTER"} xref: PMID:32256352 {source="Europe PMC"} xref: PMID:32413317 {source="Europe PMC"} xref: PMID:33495651 {source="Europe PMC"} xref: Wikipedia:Ferroptosis is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:173085 name: ferroptosis inducer namespace: chebi_ontology def: "Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." [] subset: 3_STAR synonym: "ferroptosis inducers" RELATED [ChEBI] xref: PMID:31899616 {source="Europe PMC"} xref: PMID:32015325 {source="SUBMITTER"} xref: PMID:33167414 {source="Europe PMC"} xref: PMID:34012798 {source="Europe PMC"} xref: Wikipedia:Ferroptosis is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:17322 name: chloric acid namespace: chebi_ontology alt_id: CHEBI:23113 alt_id: CHEBI:3607 subset: 3_STAR synonym: "[ClO2(OH)]" RELATED [IUPAC] synonym: "Chlorate" RELATED [KEGG_COMPOUND] synonym: "Chloric acid" EXACT [KEGG_COMPOUND] synonym: "chloric acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorsaeure" RELATED [ChEBI] synonym: "HClO3" RELATED [IUPAC] synonym: "hydroxidodioxidochlorine" EXACT IUPAC_NAME [IUPAC] xref: CAS:7790-93-4 {source="ChemIDplus"} xref: CAS:7790-93-4 {source="NIST Chemistry WebBook"} xref: CAS:7790-93-4 {source="KEGG COMPOUND"} xref: Gmelin:1492 {source="Gmelin"} xref: KEGG:C01485 xref: PDBeChem:LCO is_a: CHEBI:33426 ! chlorine oxoacid relationship: is_conjugate_acid_of CHEBI:49709 ! chlorate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClHO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XTEGARKTQYYJKE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.45884" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.96142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OCl(=O)=O" xsd:string [Term] id: CHEBI:17326 name: nucleoside 5'-triphoshate namespace: chebi_ontology alt_id: CHEBI:13411 alt_id: CHEBI:14677 alt_id: CHEBI:25610 alt_id: CHEBI:7442 alt_id: CHEBI:7655 subset: 3_STAR synonym: "NTP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside triphosphate" RELATED [KEGG_COMPOUND] synonym: "nucleoside triphosphates" RELATED [ChEBI] xref: KEGG:C00201 is_a: CHEBI:25608 ! nucleoside phosphate relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:58104 ! nucleoside 5'-triphoshate(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O13P3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "373.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.94908" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)(O)O)(=O)O)(=O)O" xsd:string [Term] id: CHEBI:17336 name: all-trans-retinol namespace: chebi_ontology alt_id: CHEBI:12783 alt_id: CHEBI:22349 alt_id: CHEBI:8816 def: "A retinol in which all four exocyclic double bonds have E- (trans-) geometry." [] subset: 3_STAR synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol" RELATED [IUPAC] synonym: "(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol" RELATED [HMDB] synonym: "all-trans retinol" RELATED [ChemIDplus] synonym: "all-trans-Retinol" EXACT [KEGG_COMPOUND] synonym: "all-trans-retinol" EXACT [UniProt] synonym: "all-trans-retinol" EXACT IUPAC_NAME [IUPAC] synonym: "all-trans-retinyl alcohol" RELATED [ChemIDplus] synonym: "all-trans-vitamin A" RELATED [ChemIDplus] synonym: "all-trans-vitamin A alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Alphalin" RELATED BRAND_NAME [ChemIDplus] synonym: "Aquasol A" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Chocola A" RELATED BRAND_NAME [ChemIDplus] synonym: "retinol" RELATED INN [WHO_MedNet] synonym: "retinol (vit A)" RELATED [DrugCentral] synonym: "retinolum" RELATED INN [WHO_MedNet] synonym: "trans-retinol" RELATED [HMDB] synonym: "vitamin A" RELATED [KEGG_COMPOUND] synonym: "vitamin A alcohol" RELATED [ChemIDplus] synonym: "Vitamin A1" RELATED [KEGG_COMPOUND] synonym: "vitamin A1" RELATED [ChEBI] synonym: "vitamin A1 alcohol" RELATED [ChemIDplus] xref: Beilstein:403040 {source="Beilstein"} xref: CAS:11103-57-4 {source="ChemIDplus"} xref: CAS:68-26-8 {source="KEGG COMPOUND"} xref: CAS:68-26-8 {source="ChemIDplus"} xref: CAS:68-26-8 {source="NIST Chemistry WebBook"} xref: Chemspider:393012 xref: Drug_Central:2831 {source="DrugCentral"} xref: DrugBank:DB00162 xref: Gmelin:247497 {source="Gmelin"} xref: HMDB:HMDB0000305 xref: KEGG:C00473 xref: KEGG:C17276 xref: KEGG:D00069 xref: KEGG:D06543 xref: KNApSAcK:C00031437 xref: LIPID_MAPS_instance:LMPR01090001 {source="LIPID MAPS"} xref: MetaCyc:CPD-13524 xref: PDBeChem:RTL xref: PMID:10637381 {source="Europe PMC"} xref: PMID:12074187 {source="Europe PMC"} xref: PMID:12221269 {source="Europe PMC"} xref: PMID:12229281 {source="Europe PMC"} xref: PMID:12548314 {source="Europe PMC"} xref: PMID:12600856 {source="Europe PMC"} xref: PMID:1414975 {source="Europe PMC"} xref: PMID:15041701 {source="Europe PMC"} xref: PMID:15051608 {source="Europe PMC"} xref: PMID:15531678 {source="Europe PMC"} xref: PMID:15622799 {source="Europe PMC"} xref: PMID:15929633 {source="Europe PMC"} xref: PMID:16469975 {source="Europe PMC"} xref: PMID:16507353 {source="Europe PMC"} xref: PMID:16825693 {source="Europe PMC"} xref: PMID:17790232 {source="Europe PMC"} xref: PMID:19264891 {source="Europe PMC"} xref: PMID:20697621 {source="Europe PMC"} xref: PMID:2217163 {source="Europe PMC"} xref: PMID:22444309 {source="Europe PMC"} xref: PMID:2295828 {source="Europe PMC"} xref: PMID:25478840 {source="Europe PMC"} xref: PMID:30510477 {source="Europe PMC"} xref: PMID:31484771 {source="Europe PMC"} xref: PMID:7971717 {source="Europe PMC"} xref: PMID:8464067 {source="Europe PMC"} xref: PMID:8496140 {source="Europe PMC"} xref: PMID:9155646 {source="Europe PMC"} xref: PMID:9736606 {source="Europe PMC"} xref: Wikipedia:Retinol is_a: CHEBI:12777 ! vitamin A is_a: CHEBI:50211 ! retinol relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H30O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPIPGXGPPPQFEQ-OVSJKPMPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.459" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.22967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C(=C/CO)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17345 name: guanosine 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:13341 alt_id: CHEBI:14381 alt_id: CHEBI:24449 alt_id: CHEBI:24450 alt_id: CHEBI:40119 alt_id: CHEBI:42647 alt_id: CHEBI:42831 alt_id: CHEBI:42887 alt_id: CHEBI:42979 alt_id: CHEBI:47450 alt_id: CHEBI:5228 def: "A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase." [] subset: 3_STAR synonym: "5'-GMP" RELATED [ChemIDplus] synonym: "5'-guanylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "GMP" RELATED [KEGG_COMPOUND] synonym: "Guanosine 5'-monophosphate" EXACT [KEGG_COMPOUND] synonym: "Guanosine 5'-phosphate" RELATED [KEGG_COMPOUND] synonym: "Guanosine monophosphate" RELATED [KEGG_COMPOUND] synonym: "guanosine-5'-monophosphate" RELATED [PDBeChem] synonym: "Guanylic acid" RELATED [KEGG_COMPOUND] synonym: "pG" RELATED [ChEBI] xref: CAS:85-32-5 {source="ChemIDplus"} xref: CAS:85-32-5 {source="KEGG COMPOUND"} xref: DrugBank:DB01972 xref: HMDB:HMDB0001397 xref: KEGG:C00144 xref: KNApSAcK:C00019635 xref: MetaCyc:GMP xref: PDBeChem:5GP xref: PMID:11233304 {source="Europe PMC"} xref: PMID:11670950 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:2559771 {source="Europe PMC"} xref: PMID:3569407 {source="Europe PMC"} xref: Reaxys:59430 {source="Reaxys"} xref: Wikipedia:Guanosine_monophosphate is_a: CHEBI:37021 ! purine ribonucleoside 5'-monophosphate is_a: CHEBI:37121 ! guanosine 5'-phosphate relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:58115 ! guanosine 5'-monophosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N5O8P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQFCJASXJCIDSX-UUOKFMHZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "363.22082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "363.05800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17347 name: testosterone namespace: chebi_ontology alt_id: CHEBI:15214 alt_id: CHEBI:26883 alt_id: CHEBI:45798 alt_id: CHEBI:9461 def: "An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5.." [] subset: 3_STAR synonym: "17beta-Hydroxy-4-androsten-3-one" RELATED [KEGG_COMPOUND] synonym: "17beta-hydroxy-4-androsten-3-one" RELATED [ChEBI] synonym: "17beta-hydroxyandrost-4-en-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-androsten-17beta-ol-3-one" RELATED [NIST_Chemistry_WebBook] synonym: "Androderm" RELATED [ChemIDplus] synonym: "Testosteron" RELATED [ChemIDplus] synonym: "testosterona" RELATED INN [ChemIDplus] synonym: "TESTOSTERONE" EXACT [PDBeChem] synonym: "Testosterone" EXACT [KEGG_COMPOUND] synonym: "testosterone" EXACT [UniProt] synonym: "testosterone" RELATED INN [ChemIDplus] synonym: "testosteronum" RELATED INN [ChemIDplus] xref: Beilstein:1915399 {source="Beilstein"} xref: Beilstein:3653705 {source="Beilstein"} xref: CAS:58-22-0 {source="NIST Chemistry WebBook"} xref: CAS:58-22-0 {source="ChemIDplus"} xref: CAS:58-22-0 {source="KEGG COMPOUND"} xref: Drug_Central:2607 {source="DrugCentral"} xref: DrugBank:DB00624 xref: Gmelin:538843 {source="Gmelin"} xref: HMDB:HMDB0000234 xref: KEGG:C00535 xref: KEGG:D00075 xref: KNApSAcK:C00003675 xref: LIPID_MAPS_instance:LMST02020002 {source="LIPID MAPS"} xref: PDBeChem:TES xref: PMID:10438974 {source="Europe PMC"} xref: PMID:11786693 {source="Europe PMC"} xref: PMID:18900503 {source="Europe PMC"} xref: PMID:24498482 {source="Europe PMC"} xref: Reaxys:1915399 {source="Reaxys"} xref: Wikipedia:Testosterone is_a: CHEBI:131621 ! C19-steroid is_a: CHEBI:35343 ! 17beta-hydroxy steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:50402 ! androstanoid relationship: has_role CHEBI:50113 ! androgen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUMGGOZAMZWBJJ-DYKIIFRCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.42440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]" xsd:string [Term] id: CHEBI:17351 name: linoleic acid namespace: chebi_ontology alt_id: CHEBI:25047 alt_id: CHEBI:42395 alt_id: CHEBI:6479 def: "An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry." [] subset: 3_STAR synonym: "(9Z,12Z)-octadeca-9,12-dienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z,12Z)-Octadecadienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z)-9,12-octadecadienoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "9-cis,12-cis-Octadecadienoic acid" RELATED [KEGG_COMPOUND] synonym: "9Z,12Z-octadecadienoic acid" RELATED [LIPID_MAPS] synonym: "acide cis-linoleique" RELATED [ChEBI] synonym: "acide linoleique" RELATED [ChEBI] synonym: "acido linoleico" RELATED [ChEBI] synonym: "all-cis-9,12-octadecadienoic acid" RELATED [ChEBI] synonym: "C18:2 9c, 12c omega6 todos cis-9,12-octadienoico" RELATED [ChEBI] synonym: "C18:2, n-6,9 all-cis" RELATED [ChEBI] synonym: "cis,cis-9,12-octadecadienoic acid" RELATED [ChEBI] synonym: "cis,cis-linoleic acid" RELATED [ChEBI] synonym: "cis,cis-linoleic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-Delta(9,12)-octadecadienoic acid" RELATED [ChemIDplus] synonym: "LA" RELATED [ChEBI] synonym: "LINOLEIC ACID" EXACT [PDBeChem] synonym: "Linoleic acid" EXACT [KEGG_COMPOUND] synonym: "linolic acid" RELATED [ChEBI] xref: Beilstein:1727101 {source="Beilstein"} xref: CAS:60-33-3 {source="KEGG COMPOUND"} xref: CAS:60-33-3 {source="NIST Chemistry WebBook"} xref: CAS:60-33-3 {source="ChemIDplus"} xref: Drug_Central:3323 {source="DrugCentral"} xref: Gmelin:57557 {source="Gmelin"} xref: HMDB:HMDB0000673 xref: KEGG:C01595 xref: KNApSAcK:C00001224 xref: LIPID_MAPS_instance:LMFA01030120 {source="LIPID MAPS"} xref: MetaCyc:LINOLEIC_ACID xref: PDBeChem:EIC xref: PMID:11113630 {source="Europe PMC"} xref: PMID:11304127 {source="Europe PMC"} xref: PMID:11322990 {source="Europe PMC"} xref: PMID:14667063 {source="Europe PMC"} xref: PMID:14993245 {source="Europe PMC"} xref: PMID:15115315 {source="Europe PMC"} xref: PMID:15642793 {source="Europe PMC"} xref: PMID:15969511 {source="Europe PMC"} xref: PMID:16254037 {source="Europe PMC"} xref: PMID:16563718 {source="Europe PMC"} xref: PMID:17647039 {source="Europe PMC"} xref: PMID:18044828 {source="Europe PMC"} xref: PMID:18990554 {source="Europe PMC"} xref: PMID:19628674 {source="Europe PMC"} xref: PMID:19936816 {source="Europe PMC"} xref: PMID:23900039 {source="Europe PMC"} xref: PMID:24081493 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} xref: Reaxys:1727101 {source="Reaxys"} xref: Wikipedia:Linoleic_acid is_a: CHEBI:25627 ! octadecadienoic acid is_a: CHEBI:36009 ! omega-6 fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:83038 ! Daphnia galeata metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:30245 ! linoleate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYHQOLUKZRVURQ-HZJYTTRNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.44550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:17354 name: 16beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:11334 alt_id: CHEBI:19166 alt_id: CHEBI:779 def: "A 16-hydroxy steroid in which the hydroxy group at position 16 has a beta-configuration." [] subset: 3_STAR synonym: "16beta-hydroxy steroids" RELATED [ChEBI] synonym: "16beta-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "a 16beta-hydroxysteroid" RELATED [UniProt] xref: KEGG:C03050 xref: MetaCyc:16-BETA-HYDROXYSTEROID is_a: CHEBI:36840 ! 16-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C([C@H](C3)O)*)(C)CC1)CCC4C2(CCCC4)C" xsd:string [Term] id: CHEBI:17356 name: 2-acetamidofluorene namespace: chebi_ontology alt_id: CHEBI:11494 alt_id: CHEBI:19431 alt_id: CHEBI:40645 alt_id: CHEBI:981 def: "The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene." [] subset: 3_STAR synonym: "2-(Acetylamino)fluorene" RELATED [ChemIDplus] synonym: "2-AAF" RELATED [NIST_Chemistry_WebBook] synonym: "2-Acetamidofluorene" EXACT [KEGG_COMPOUND] synonym: "2-acetamidofluorene" EXACT [UniProt] synonym: "2-Acetaminofluorene" RELATED [ChemIDplus] synonym: "2-Acetoaminofluorene" RELATED [ChemIDplus] synonym: "2-Acetylaminofluorene" RELATED [ChemIDplus] synonym: "2-ACETYLAMINOFLUORENE-3-YL" RELATED [PDBeChem] synonym: "2-FAA" RELATED [NIST_Chemistry_WebBook] synonym: "N-(9H-fluoren-2-yl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-2-Fluorenylacetamide" RELATED [KEGG_COMPOUND] synonym: "N-Acetyl-2-aminofluorene" RELATED [ChemIDplus] synonym: "N-fluoren-2-ylacetamide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2807677 {source="Beilstein"} xref: CAS:53-96-3 {source="ChemIDplus"} xref: CAS:53-96-3 {source="NIST Chemistry WebBook"} xref: CAS:53-96-3 {source="KEGG COMPOUND"} xref: KEGG:C02778 xref: LINCS:LSM-37153 xref: PDBeChem:AFF xref: PMID:15380103 {source="Europe PMC"} xref: PMID:17434228 {source="Europe PMC"} xref: PMID:21417629 {source="Europe PMC"} xref: PMID:21668357 {source="Europe PMC"} xref: PMID:22514719 {source="Europe PMC"} xref: PMID:23536516 {source="Europe PMC"} xref: PMID:24021430 {source="Europe PMC"} xref: PMID:7151044 {source="Europe PMC"} xref: Reaxys:2807677 {source="Reaxys"} xref: Wikipedia:2-Acetylaminofluorene is_a: CHEBI:19432 ! 2-acetamidofluorenes relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:53000 ! epitope relationship: has_role CHEBI:64911 ! antimitotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H13NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZIHNRWJTSTCEX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.09971" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C" xsd:string [Term] id: CHEBI:17359 name: sulfite namespace: chebi_ontology alt_id: CHEBI:15139 alt_id: CHEBI:45548 def: "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3)." [] subset: 3_STAR synonym: "[SO3](2-)" RELATED [IUPAC] synonym: "SO3" RELATED [ChEBI] synonym: "SO3(2-)" RELATED [IUPAC] synonym: "sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "sulfite" EXACT [UniProt] synonym: "SULFITE ION" RELATED [PDBeChem] synonym: "sulphite" RELATED [ChEBI] synonym: "trioxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14265-45-3 {source="ChemIDplus"} xref: Gmelin:1449 {source="Gmelin"} xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:17137 ! hydrogensulfite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])=O" xsd:string [Term] id: CHEBI:17362 name: quinoline namespace: chebi_ontology alt_id: CHEBI:15007 alt_id: CHEBI:8727 def: "The simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C-3 of a pyridine ring." [] subset: 3_STAR synonym: "benzo[b]pyridine" RELATED [NIST_Chemistry_WebBook] synonym: "Chinolin" RELATED [NIST_Chemistry_WebBook] synonym: "Quinoline" EXACT [KEGG_COMPOUND] synonym: "quinoline" EXACT [UniProt] synonym: "quinoline" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:107477 {source="Beilstein"} xref: CAS:91-22-5 {source="KEGG COMPOUND"} xref: CAS:91-22-5 {source="NIST Chemistry WebBook"} xref: CAS:91-22-5 {source="ChemIDplus"} xref: Gmelin:27201 {source="Gmelin"} xref: HMDB:HMDB0033731 xref: KEGG:C06413 xref: KNApSAcK:C00026478 xref: MetaCyc:QUINOLINE xref: PMID:16406213 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:107477 {source="Reaxys"} xref: Wikipedia:Quinoline is_a: CHEBI:26513 ! quinolines is_a: CHEBI:35570 ! mancude organic heterobicyclic parent is_a: CHEBI:50893 ! azaarene is_a: CHEBI:52362 ! ortho-fused heteroarene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SMWDFEZZVXVKRB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.15860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2ncccc2c1" xsd:string [Term] id: CHEBI:17375 name: (2S)-2-hydroxy monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:11031 alt_id: CHEBI:18737 alt_id: CHEBI:378 alt_id: CHEBI:381 def: "A 2-hydroxy monocarboxylic acid in which the carbon at position 2 has (S)-configuration." [] subset: 3_STAR synonym: "(2S)-2-hydroxy monocarboxylic acids" RELATED [ChEBI] synonym: "(S)-2-Hydroxy acid" RELATED [KEGG_COMPOUND] synonym: "(S)-2-hydroxy acid" RELATED [UniProt] synonym: "(S)-2-Hydroxyalkanoic acid" RELATED [KEGG_COMPOUND] synonym: "(S)-2-Hydroxycarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "(S)-2-Hydroxymonocarboxylic acid" RELATED [KEGG_COMPOUND] is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion relationship: is_enantiomer_of CHEBI:17893 ! (2R)-2-hydroxy monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.00822" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([C@@H](O)*)(=O)O" xsd:string [Term] id: CHEBI:17418 name: valeric acid namespace: chebi_ontology alt_id: CHEBI:113448 alt_id: CHEBI:27263 alt_id: CHEBI:27264 alt_id: CHEBI:43606 alt_id: CHEBI:44803 alt_id: CHEBI:7980 def: "A straight-chain saturated fatty acid containing five carbon atoms." [] subset: 3_STAR synonym: "1-butanecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "1-butanecarboxylic acid" RELATED [ChemIDplus] synonym: "CH3-[CH2]3-COOH" RELATED [IUPAC] synonym: "n-BuCOOH" RELATED [ChEBI] synonym: "n-Pentanoate" RELATED [KEGG_COMPOUND] synonym: "n-pentanoic acid" RELATED [ChemIDplus] synonym: "n-Valeric acid" RELATED [KEGG_COMPOUND] synonym: "n-valeric acid" RELATED [ChemIDplus] synonym: "Pentanoate" RELATED [KEGG_COMPOUND] synonym: "PENTANOIC ACID" RELATED [PDBeChem] synonym: "Pentanoic acid" RELATED [KEGG_COMPOUND] synonym: "pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pentoic acid" RELATED [ChEBI] synonym: "propylacetic acid" RELATED [ChemIDplus] synonym: "Valerate" RELATED [KEGG_COMPOUND] synonym: "Valerianic acid" RELATED [KEGG_COMPOUND] synonym: "Valeriansaeure" RELATED [ChEBI] synonym: "Valeric acid" EXACT [KEGG_COMPOUND] synonym: "valeric acid, normal" RELATED [ChemIDplus] xref: Beilstein:969454 {source="Beilstein"} xref: CAS:109-52-4 {source="ChemIDplus"} xref: CAS:109-52-4 {source="NIST Chemistry WebBook"} xref: CAS:109-52-4 {source="KEGG COMPOUND"} xref: DrugBank:DB02406 xref: Gmelin:26714 {source="Gmelin"} xref: HMDB:HMDB0000892 xref: KEGG:C00803 xref: KNApSAcK:C00001208 xref: LIPID_MAPS_instance:LMFA01010005 {source="LIPID MAPS"} xref: PDBeChem:LEA xref: PMID:20507156 {source="Europe PMC"} xref: PPDB:3130 xref: Reaxys:969454 {source="Reaxys"} xref: Wikipedia:Valeric_acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:31011 ! valerate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(O)=O" xsd:string [Term] id: CHEBI:17447 name: geraniol name: geraniol namespace: chebi_ontology alt_id: CHEBI:14297 alt_id: CHEBI:24219 alt_id: CHEBI:5329 def: "A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end." [] subset: 3_STAR synonym: "(2E)-3,7-dimethyl-2,6-octadien-1-ol" RELATED [] synonym: "(2E)-3,7-dimethylocta-2,6-dien-1-ol" EXACT [] synonym: "(2E)-geraniol" RELATED [] synonym: "(E)-3,7-dimethyl-2,6-octadien-1-ol" RELATED [] synonym: "(E)-geraniol" RELATED [] synonym: "(E)-nerol" RELATED [] synonym: "2-trans-3,7-Dimethyl-2,6-octadien-1-ol" RELATED [] synonym: "3,7-dimethyl-trans-2,6-octadien-1-ol" RELATED [] synonym: "Geraniol" EXACT [] synonym: "geranyl alcohol" RELATED [] synonym: "lemonol" RELATED [] synonym: "t-geraniol" RELATED [] synonym: "trans-3,7-dimethyl-2,6-octadien-1-ol" RELATED [] synonym: "trans-geraniol" RELATED [] xref: Beilstein:1722456 xref: BPDB:2374 xref: CAS:106-24-1 xref: Gmelin:185248 xref: KEGG:C01500 xref: KNApSAcK:C00000845 xref: LIPID_MAPS_instance:LMPR0102010016 xref: PMID:18824010 xref: PMID:20573166 xref: PMID:23102596 xref: PMID:23108028 xref: PMID:23168261 xref: PMID:23200656 xref: PMID:23399806 xref: PMID:23415329 xref: PMID:23499697 xref: PMID:23510343 xref: VSDB:2374 xref: Wikipedia:Geraniol is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GLZPCOQZEFWAFX-JXMROGBWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.24932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CO" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17478 name: aldehyde namespace: chebi_ontology alt_id: CHEBI:13432 alt_id: CHEBI:13753 alt_id: CHEBI:13805 alt_id: CHEBI:13806 alt_id: CHEBI:22291 alt_id: CHEBI:2554 alt_id: CHEBI:8750 def: "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group." [] subset: 3_STAR synonym: "aldehido" RELATED [ChEBI] synonym: "aldehidos" RELATED [ChEBI] synonym: "Aldehyd" RELATED [ChEBI] synonym: "Aldehyde" EXACT [KEGG_COMPOUND] synonym: "aldehyde" EXACT [ChEBI] synonym: "aldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" RELATED [ChEBI] synonym: "aldehydum" RELATED [ChEBI] synonym: "an aldehyde" RELATED [UniProt] synonym: "RC(=O)H" RELATED [IUPAC] synonym: "RCHO" RELATED [KEGG_COMPOUND] xref: KEGG:C00071 is_a: CHEBI:36586 ! carbonyl compound relationship: has_part CHEBI:42485 ! formyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17489 name: 3',5'-cyclic AMP namespace: chebi_ontology alt_id: CHEBI:11673 alt_id: CHEBI:1325 alt_id: CHEBI:19827 alt_id: CHEBI:41588 def: "A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase." [] subset: 3_STAR synonym: "3',5'-Cyclic AMP" EXACT [KEGG_COMPOUND] synonym: "adenosine 3',5'-(hydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "adenosine 3',5'-cyclic monophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "Adenosine 3',5'-cyclic phosphate" RELATED [KEGG_COMPOUND] synonym: "Adenosine 3',5'-phosphate" RELATED [KEGG_COMPOUND] synonym: "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" RELATED [PDBeChem] synonym: "cAMP" RELATED [KEGG_COMPOUND] synonym: "Cyclic adenylic acid" RELATED [KEGG_COMPOUND] synonym: "Cyclic AMP" RELATED [KEGG_COMPOUND] xref: Beilstein:52645 {source="Beilstein"} xref: CAS:60-92-4 {source="KEGG COMPOUND"} xref: CAS:60-92-4 {source="NIST Chemistry WebBook"} xref: CAS:60-92-4 {source="ChemIDplus"} xref: DrugBank:DB02527 xref: HMDB:HMDB0000058 xref: KEGG:C00575 xref: KNApSAcK:C00001497 xref: MetaCyc:CAMP xref: PDBeChem:CMP xref: PMID:16295522 {source="Europe PMC"} xref: PMID:18372334 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:52645 {source="Reaxys"} xref: Wikipedia:Cyclic_AMP is_a: CHEBI:19834 ! 3',5'-cyclic purine nucleotide is_a: CHEBI:61296 ! adenyl ribonucleotide relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:58165 ! 3',5'-cyclic AMP(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N5O6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IVOMOUWHDPKRLL-KQYNXXCUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.20614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.05252" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O" xsd:string [Term] id: CHEBI:17497 name: glycolic acid namespace: chebi_ontology alt_id: CHEBI:24390 alt_id: CHEBI:42865 alt_id: CHEBI:5475 def: "A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated." [] subset: 3_STAR synonym: "2-Hydroxyacetic acid" RELATED [ChemIDplus] synonym: "2-Hydroxyethanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Hydroxyacetic acid" RELATED [HMDB] synonym: "alpha-hydroxyacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "GLYCOLIC ACID" EXACT [PDBeChem] synonym: "Glycolic acid" EXACT [KEGG_COMPOUND] synonym: "Glycollic acid" RELATED [ChemIDplus] synonym: "HOCH2COOH" RELATED [NIST_Chemistry_WebBook] synonym: "Hydroxyacetic acid" RELATED [KEGG_COMPOUND] synonym: "hydroxyacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Hydroxyethanoic acid" RELATED [ChemIDplus] xref: CAS:79-14-1 {source="ChemIDplus"} xref: CAS:79-14-1 {source="NIST Chemistry WebBook"} xref: CAS:79-14-1 {source="KEGG COMPOUND"} xref: Drug_Central:4645 {source="DrugCentral"} xref: HMDB:HMDB0000115 xref: KEGG:C00160 xref: KNApSAcK:C00007461 xref: LIPID_MAPS_instance:LMFA01050148 {source="LIPID MAPS"} xref: MetaCyc:GLYCOLLATE xref: PDBeChem:GOA xref: PMID:14585457 {source="Europe PMC"} xref: PMID:15662707 {source="Europe PMC"} xref: PMID:15716481 {source="Europe PMC"} xref: PMID:15716482 {source="Europe PMC"} xref: PMID:18498500 {source="Europe PMC"} xref: PMID:19025792 {source="Europe PMC"} xref: PMID:21950544 {source="Europe PMC"} xref: PMID:22044748 {source="Europe PMC"} xref: PMID:22128110 {source="Europe PMC"} xref: PMID:22360337 {source="Europe PMC"} xref: PMID:22421647 {source="Europe PMC"} xref: Reaxys:1209322 {source="Reaxys"} xref: Wikipedia:Glycolic_acid is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:50176 ! keratolytic drug relationship: is_conjugate_acid_of CHEBI:29805 ! glycolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AEMRFAOFKBGASW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.05136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC(O)=O" xsd:string [Term] id: CHEBI:17499 name: hydrogen donor namespace: chebi_ontology alt_id: CHEBI:13233 alt_id: CHEBI:15018 alt_id: CHEBI:8785 def: "A molecular entity that can undergo oxidation by the loss of hydrogen atom(s)." [] subset: 3_STAR synonym: "AH2" RELATED [UniProt] synonym: "AH2" RELATED [KEGG_COMPOUND] synonym: "Donor" RELATED [KEGG_COMPOUND] synonym: "Hydrogen-donor" RELATED [KEGG_COMPOUND] synonym: "Reduced acceptor" RELATED [KEGG_COMPOUND] xref: KEGG:C00030 is_a: CHEBI:15022 ! electron donor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "RH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "2.016" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "2.01565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*([H])[H]" xsd:string [Term] id: CHEBI:17514 name: cyanide namespace: chebi_ontology alt_id: CHEBI:14038 alt_id: CHEBI:3969 alt_id: CHEBI:41780 def: "A pseudohalide anion that is the conjugate base of hydrogen cyanide." [] subset: 3_STAR synonym: "CN(-)" RELATED [IUPAC] synonym: "CN-" RELATED [KEGG_COMPOUND] synonym: "Cyanide" EXACT [KEGG_COMPOUND] synonym: "Cyanide" EXACT [ChEBI] synonym: "cyanide" EXACT IUPAC_NAME [IUPAC] synonym: "CYANIDE ION" RELATED [PDBeChem] synonym: "nitridocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Prussiate" RELATED [KEGG_COMPOUND] synonym: "Zyanid" RELATED [ChEBI] xref: Beilstein:1900509 {source="Beilstein"} xref: CAS:57-12-5 {source="ChemIDplus"} xref: CAS:57-12-5 {source="NIST Chemistry WebBook"} xref: CAS:57-12-5 {source="KEGG COMPOUND"} xref: Gmelin:89 {source="Gmelin"} xref: HMDB:HMDB0002084 xref: KEGG:C00177 xref: MetaCyc:CPD-13584 xref: PDBeChem:CYN xref: PMID:11386635 {source="Europe PMC"} xref: PMID:14871577 {source="Europe PMC"} xref: PMID:17554165 {source="Europe PMC"} xref: PMID:7839575 {source="Europe PMC"} xref: Reaxys:1900509 {source="Reaxys"} xref: Wikipedia:Cyanide is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor relationship: is_conjugate_base_of CHEBI:18407 ! hydrogen cyanide relationship: is_conjugate_base_of CHEBI:36856 ! hydrogen isocyanide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CN/c1-2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XFXPMWWXUTWYJX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.00362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C-]#N" xsd:string [Term] id: CHEBI:17522 name: alditol namespace: chebi_ontology alt_id: CHEBI:13754 alt_id: CHEBI:22298 alt_id: CHEBI:2556 def: "A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group)." [] subset: 3_STAR synonym: "Alditol" EXACT [KEGG_COMPOUND] synonym: "alditol" EXACT [UniProt] synonym: "alditols" RELATED [ChEBI] synonym: "Glycitol" RELATED [KEGG_COMPOUND] synonym: "Sugar alcohol" RELATED [KEGG_COMPOUND] xref: KEGG:C00717 xref: Wikipedia:Glycerin is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(CH2O)nC2H6O2" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17544 name: hydrogencarbonate namespace: chebi_ontology alt_id: CHEBI:13363 alt_id: CHEBI:22863 alt_id: CHEBI:40961 alt_id: CHEBI:5589 def: "The carbon oxoanion resulting from the removal of a proton from carbonic acid." [] subset: 3_STAR synonym: "[CO2(OH)](-)" RELATED [IUPAC] synonym: "Acid carbonate" RELATED [KEGG_COMPOUND] synonym: "Bicarbonate" RELATED [KEGG_COMPOUND] synonym: "BICARBONATE ION" RELATED [PDBeChem] synonym: "HCO3(-)" RELATED [IUPAC] synonym: "HCO3-" RELATED [KEGG_COMPOUND] synonym: "hydrogen carbonate" RELATED [PDBeChem] synonym: "hydrogen(trioxidocarbonate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogencarbonate" EXACT [KEGG_COMPOUND] synonym: "hydrogencarbonate" EXACT [UniProt] synonym: "hydrogencarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogencarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentrioxocarbonate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903504 {source="Beilstein"} xref: CAS:71-52-3 {source="ChemIDplus"} xref: Gmelin:49249 {source="Gmelin"} xref: HMDB:HMDB0000595 xref: KEGG:C00288 xref: MetaCyc:HCO3 xref: PDBeChem:BCT xref: PMID:17215880 {source="Europe PMC"} xref: PMID:17505962 {source="Europe PMC"} xref: PMID:18439416 {source="Europe PMC"} xref: PMID:28732801 {source="Europe PMC"} xref: PMID:29150416 {source="Europe PMC"} xref: PMID:29460248 {source="Europe PMC"} xref: PMID:29466234 {source="Europe PMC"} xref: PMID:4208463 {source="Europe PMC"} xref: Wikipedia:Bicarbonate is_a: CHEBI:35604 ! carbon oxoanion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:41609 ! carbonate relationship: is_conjugate_base_of CHEBI:28976 ! carbonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.01684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.99312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([O-])=O" xsd:string [Term] id: CHEBI:17561 name: L-cysteine namespace: chebi_ontology alt_id: CHEBI:13095 alt_id: CHEBI:21261 alt_id: CHEBI:41227 alt_id: CHEBI:41700 alt_id: CHEBI:41768 alt_id: CHEBI:41781 alt_id: CHEBI:41811 alt_id: CHEBI:6207 def: "An optically active form of cysteine having L-configuration." [] comment: LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "(2R)-2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "(R)-2-amino-3-mercaptopropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "C" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "CYSTEINE" RELATED [PDBeChem] synonym: "E 920" RELATED [ChEBI] synonym: "E-920" RELATED [ChEBI] synonym: "E920" RELATED [ChEBI] synonym: "FREE CYSTEINE" RELATED [PDBeChem] synonym: "L-2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "L-Cystein" RELATED [ChEBI] synonym: "L-Cysteine" EXACT [KEGG_COMPOUND] synonym: "L-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "L-Zystein" RELATED [ChEBI] xref: Beilstein:1721408 {source="Beilstein"} xref: CAS:52-90-4 {source="ChemIDplus"} xref: CAS:52-90-4 {source="NIST Chemistry WebBook"} xref: CAS:52-90-4 {source="KEGG COMPOUND"} xref: Codex:\:920 xref: Drug_Central:769 {source="DrugCentral"} xref: DrugBank:DB00151 xref: ECMDB:ECMDB00574 xref: Europe:\:920 xref: Gmelin:49991 {source="Gmelin"} xref: HMDB:HMDB0000574 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4426 xref: KEGG:C00097 xref: KEGG:D00026 xref: KNApSAcK:C00001351 xref: MetaCyc:CYS xref: PDBeChem:CYS xref: PMID:11732994 {source="Europe PMC"} xref: PMID:13761469 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:1721408 {source="Reaxys"} xref: Wikipedia:Cysteine xref: YMDB:YMDB00046 is_a: CHEBI:15356 ! cysteine is_a: CHEBI:26650 ! serine family amino acid relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:77703 ! EC 4.3.1.3 (histidine ammonia-lyase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:16375 ! D-cysteine relationship: is_tautomer_of CHEBI:35235 ! L-cysteine zwitterion property_value: hasSynonym "cysteine, l- and its hydrochlorides - sodium and potassium salts" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CS)C(O)=O" xsd:string property_value: IAO:0000118 "l-cysteine" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17563 name: phthalate(2-) namespace: chebi_ontology alt_id: CHEBI:14831 alt_id: CHEBI:26090 def: "A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid." [] subset: 3_STAR synonym: "1,2-benzenedicarboxylate" RELATED [ChEBI] synonym: "benzene-1,2-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "phthalate" RELATED [UniProt] xref: Beilstein:3906509 {source="Beilstein"} xref: CAS:3198-29-6 {source="ChemIDplus"} xref: Gmelin:3530 {source="Gmelin"} xref: KEGG:C01606 xref: Reaxys:3906509 {source="Reaxys"} xref: UM-BBD_compID:c0181 {source="UM-BBD"} is_a: CHEBI:26092 ! phthalate is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:30800 ! phthalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNGIFLGASWRNHJ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.11496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.01206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1ccccc1C([O-])=O" xsd:string [Term] id: CHEBI:17568 name: uracil namespace: chebi_ontology alt_id: CHEBI:15288 alt_id: CHEBI:27210 alt_id: CHEBI:46375 alt_id: CHEBI:9882 def: "A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription." [] subset: 3_STAR synonym: "2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-Dioxopyrimidine" RELATED [HMDB] synonym: "2,4-Pyrimidinedione" RELATED [HMDB] synonym: "pyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "U" RELATED [ChEBI] synonym: "Ura" RELATED [CBN] synonym: "URACIL" EXACT [PDBeChem] synonym: "Uracil" EXACT [KEGG_COMPOUND] synonym: "uracil" EXACT [UniProt] synonym: "Urazil" RELATED [ChEBI] xref: Beilstein:606623 {source="Beilstein"} xref: CAS:66-22-8 {source="NIST Chemistry WebBook"} xref: CAS:66-22-8 {source="KEGG COMPOUND"} xref: CAS:66-22-8 {source="ChemIDplus"} xref: DrugBank:DB03419 xref: Gmelin:2896 {source="Gmelin"} xref: HMDB:HMDB0000300 xref: KEGG:C00106 xref: KEGG:D00027 xref: KNApSAcK:C00001513 xref: MetaCyc:URACIL xref: PDBeChem:URA xref: PMID:11279060 {source="Europe PMC"} xref: PMID:12855717 {source="Europe PMC"} xref: PMID:15274295 {source="Europe PMC"} xref: PMID:16834123 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:18533995 {source="Europe PMC"} xref: PMID:18815805 {source="Europe PMC"} xref: PMID:19175333 {source="Europe PMC"} xref: PMID:22020693 {source="Europe PMC"} xref: PMID:22074393 {source="Europe PMC"} xref: PMID:22120518 {source="Europe PMC"} xref: PMID:22171528 {source="Europe PMC"} xref: PMID:22237209 {source="Europe PMC"} xref: PMID:22299724 {source="Europe PMC"} xref: PMID:22356544 {source="Europe PMC"} xref: PMID:22447672 {source="Europe PMC"} xref: PMID:22483865 {source="Europe PMC"} xref: PMID:22567906 {source="Europe PMC"} xref: PMID:22685418 {source="Europe PMC"} xref: PMID:3654008 {source="Europe PMC"} xref: Reaxys:606623 {source="Reaxys"} xref: Wikipedia:Uracil is_a: CHEBI:26432 ! pyrimidine nucleobase is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_tautomer_of CHEBI:43254 ! (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISAKRJDGNUQOIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.08684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.02728" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1cc[nH]c(=O)[nH]1" xsd:string [Term] id: CHEBI:17578 name: toluene namespace: chebi_ontology alt_id: CHEBI:15248 alt_id: CHEBI:27022 alt_id: CHEBI:44023 alt_id: CHEBI:9624 def: "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent." [] subset: 3_STAR synonym: "methylbenzene" RELATED [PDBeChem] synonym: "phenylmethane" RELATED [ChemIDplus] synonym: "Toluen" RELATED [NIST_Chemistry_WebBook] synonym: "TOLUENE" EXACT [PDBeChem] synonym: "Toluene" EXACT [KEGG_COMPOUND] synonym: "toluene" EXACT [ChEBI] synonym: "toluene" EXACT [UniProt] synonym: "toluene" EXACT IUPAC_NAME [IUPAC] synonym: "Toluol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:635760 {source="Beilstein"} xref: CAS:108-88-3 {source="KEGG COMPOUND"} xref: CAS:108-88-3 {source="NIST Chemistry WebBook"} xref: CAS:108-88-3 {source="ChemIDplus"} xref: DrugBank:DB01900 xref: Gmelin:2456 {source="Gmelin"} xref: KEGG:C01455 xref: PDBeChem:MBN xref: PMID:11182169 {source="Europe PMC"} xref: PMID:11314682 {source="Europe PMC"} xref: PMID:11846266 {source="Europe PMC"} xref: PMID:11991009 {source="Europe PMC"} xref: PMID:12062755 {source="Europe PMC"} xref: PMID:12213539 {source="Europe PMC"} xref: PMID:12237258 {source="Europe PMC"} xref: PMID:12784113 {source="Europe PMC"} xref: PMID:12876426 {source="Europe PMC"} xref: PMID:14512097 {source="Europe PMC"} xref: PMID:14559343 {source="Europe PMC"} xref: PMID:14605898 {source="Europe PMC"} xref: PMID:15015825 {source="Europe PMC"} xref: PMID:15019953 {source="Europe PMC"} xref: PMID:15119846 {source="Europe PMC"} xref: PMID:15193425 {source="Europe PMC"} xref: PMID:15542760 {source="Europe PMC"} xref: PMID:15567510 {source="Europe PMC"} xref: PMID:15695158 {source="Europe PMC"} xref: PMID:15796064 {source="Europe PMC"} xref: PMID:16316648 {source="Europe PMC"} xref: PMID:16348226 {source="Europe PMC"} xref: PMID:16601996 {source="Europe PMC"} xref: PMID:17145141 {source="Europe PMC"} xref: PMID:17175136 {source="Europe PMC"} xref: PMID:17497535 {source="Europe PMC"} xref: PMID:17725881 {source="Europe PMC"} xref: PMID:18397809 {source="Europe PMC"} xref: PMID:18832024 {source="Europe PMC"} xref: PMID:19261054 {source="Europe PMC"} xref: PMID:19384711 {source="Europe PMC"} xref: PMID:19429395 {source="Europe PMC"} xref: PMID:19635754 {source="Europe PMC"} xref: PMID:19765629 {source="Europe PMC"} xref: PMID:19825861 {source="Europe PMC"} xref: PMID:19928203 {source="Europe PMC"} xref: PMID:19969016 {source="Europe PMC"} xref: PMID:20347282 {source="Europe PMC"} xref: PMID:20837561 {source="Europe PMC"} xref: PMID:21430649 {source="Europe PMC"} xref: PMID:21655021 {source="Europe PMC"} xref: PMID:21731073 {source="Europe PMC"} xref: PMID:21802510 {source="Europe PMC"} xref: PMID:21840036 {source="Europe PMC"} xref: Reaxys:635760 {source="Reaxys"} xref: UM-BBD_compID:c0114 {source="UM-BBD"} xref: Wikipedia:Toluene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:27024 ! toluenes is_a: CHEBI:38975 ! methylbenzene relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:48873 ! cholinergic antagonist relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:62803 ! fuel additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFVVABEGXRONW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.13842" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1" xsd:string [Term] id: CHEBI:17579 name: beta-carotene name: β-carotene namespace: chebi_ontology alt_id: CHEBI:10355 alt_id: CHEBI:12392 alt_id: CHEBI:22834 alt_id: CHEBI:40987 def: "A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid." [] comment: LanguaL term definition: Food additive. subset: 3_STAR synonym: "1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)" RELATED [ChEBI] synonym: "all-trans-beta-carotene" RELATED [NIST_Chemistry_WebBook] synonym: "all-trans-beta-carotene" RELATED [UniProt] synonym: "beta,beta-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "BETA-CAROTENE" EXACT [PDBeChem] synonym: "beta-Carotene" EXACT [KEGG_COMPOUND] synonym: "beta-carotene" EXACT [] synonym: "beta-Karotin" RELATED [ChEBI] xref: Beilstein:1917416 {source="Beilstein"} xref: CAS:7235-40-7 {source="ChemIDplus"} xref: CAS:7235-40-7 {source="KEGG COMPOUND"} xref: CAS:7235-40-7 {source="NIST Chemistry WebBook"} xref: Codex:\:160a xref: COMe:MOL000093 xref: Drug_Central:345 {source="DrugCentral"} xref: Europe:\:160a xref: HMDB:HMDB0000561 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3015 xref: KEGG:C02094 xref: KEGG:D03101 xref: KNApSAcK:C00000919 xref: LIPID_MAPS_instance:LMPR01070000 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMPR01070001 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-129 xref: PDBeChem:BCR xref: PMID:11171227 {source="Europe PMC"} xref: PMID:11182771 {source="Europe PMC"} xref: PMID:11332447 {source="Europe PMC"} xref: PMID:11359610 {source="Europe PMC"} xref: PMID:11382814 {source="Europe PMC"} xref: PMID:11567548 {source="Europe PMC"} xref: PMID:11677037 {source="Europe PMC"} xref: PMID:11714348 {source="Europe PMC"} xref: PMID:11962062 {source="Europe PMC"} xref: PMID:12081834 {source="Europe PMC"} xref: PMID:12891827 {source="Europe PMC"} xref: PMID:14658721 {source="Europe PMC"} xref: PMID:14764912 {source="Europe PMC"} xref: PMID:14976384 {source="Europe PMC"} xref: PMID:14997360 {source="Europe PMC"} xref: PMID:15113067 {source="Europe PMC"} xref: PMID:15333155 {source="Europe PMC"} xref: PMID:15695449 {source="Europe PMC"} xref: PMID:15789045 {source="Europe PMC"} xref: PMID:15909543 {source="Europe PMC"} xref: PMID:15949680 {source="Europe PMC"} xref: PMID:15949683 {source="Europe PMC"} xref: PMID:16036331 {source="Europe PMC"} xref: PMID:16087476 {source="Europe PMC"} xref: PMID:16338959 {source="Europe PMC"} xref: PMID:16563447 {source="Europe PMC"} xref: PMID:17004738 {source="Europe PMC"} xref: PMID:17625873 {source="Europe PMC"} xref: PMID:17708644 {source="Europe PMC"} xref: PMID:17851775 {source="Europe PMC"} xref: PMID:18429004 {source="Europe PMC"} xref: PMID:18766464 {source="Europe PMC"} xref: PMID:18767554 {source="Europe PMC"} xref: PMID:18794175 {source="Europe PMC"} xref: PMID:19480350 {source="Europe PMC"} xref: PMID:19574250 {source="Europe PMC"} xref: PMID:19669835 {source="Europe PMC"} xref: PMID:19703237 {source="Europe PMC"} xref: PMID:19852884 {source="Europe PMC"} xref: PMID:19888275 {source="Europe PMC"} xref: PMID:19896667 {source="Europe PMC"} xref: PMID:19937581 {source="Europe PMC"} xref: PMID:20074992 {source="Europe PMC"} xref: PMID:20515074 {source="Europe PMC"} xref: PMID:22079732 {source="Europe PMC"} xref: PMID:22309480 {source="Europe PMC"} xref: PMID:22428124 {source="Europe PMC"} xref: PMID:22489215 {source="Europe PMC"} xref: PMID:22534340 {source="Europe PMC"} xref: PMID:22575730 {source="Europe PMC"} xref: Reaxys:1917416 {source="Reaxys"} xref: Wikipedia:Beta_Carotene is_a: CHEBI:12777 ! vitamin A is_a: CHEBI:139120 ! carotenoid beta-end group is_a: CHEBI:35163 ! cyclic carotene relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:26130 ! biological pigment relationship: has_role CHEBI:67200 ! provitamin A relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: hasSynonym "carotenes" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OENHQHLEOONYIE-JLTXGRSLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" xsd:string property_value: IAO:0000118 "beta-carotene" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17590 name: octane namespace: chebi_ontology alt_id: CHEBI:14680 alt_id: CHEBI:25465 alt_id: CHEBI:25645 alt_id: CHEBI:44621 alt_id: CHEBI:7723 def: "A straight chain alkane composed of 8 carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]6-CH3" RELATED [IUPAC] synonym: "N-OCTANE" RELATED [PDBeChem] synonym: "n-Octane" RELATED [KEGG_COMPOUND] synonym: "n-Oktan" RELATED [ChEBI] synonym: "Octane" EXACT [KEGG_COMPOUND] synonym: "octane" EXACT IUPAC_NAME [IUPAC] synonym: "octane" EXACT [UniProt] synonym: "Oktan" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1696875 {source="Beilstein"} xref: CAS:111-65-9 {source="KEGG COMPOUND"} xref: CAS:111-65-9 {source="NIST Chemistry WebBook"} xref: CAS:111-65-9 {source="ChemIDplus"} xref: DrugBank:DB02440 xref: Gmelin:82412 {source="Gmelin"} xref: HMDB:HMDB0001485 xref: KEGG:C01387 xref: LIPID_MAPS_instance:LMFA11000002 {source="LIPID MAPS"} xref: MetaCyc:CPD-148 xref: PDBeChem:OCT xref: PMID:11255151 {source="Europe PMC"} xref: PMID:24354334 {source="Europe PMC"} xref: Reaxys:1696875 {source="Reaxys"} xref: UM-BBD_compID:c0044 {source="UM-BBD"} xref: Wikipedia:Octane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:35703 ! xenobiotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVMXDCGIABBOFY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.22852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.14085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC" xsd:string [Term] id: CHEBI:175901 name: gemcitabine namespace: chebi_ontology alt_id: CHEBI:42752 alt_id: CHEBI:5295 def: "A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer." [] subset: 3_STAR synonym: "2',2'-Difluorodeoxycytidine" RELATED [ChemIDplus] synonym: "2'-Deoxy-2',2'-difluorocytidine" RELATED [ChemIDplus] synonym: "2'-deoxy-2',2'-difluorocytidine" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one" RELATED [ChEMBL] synonym: "gemcitabina" RELATED INN [DrugBank] synonym: "gemcitabine" RELATED INN [KEGG_DRUG] synonym: "gemcitabinum" RELATED INN [DrugBank] xref: Beilstein:5382060 {source="Beilstein"} xref: CAS:95058-81-4 {source="KEGG DRUG"} xref: CAS:95058-81-4 {source="DrugBank"} xref: CAS:95058-81-4 {source="KEGG COMPOUND"} xref: CAS:95058-81-4 {source="ChemIDplus"} xref: Drug_Central:1283 {source="DrugCentral"} xref: DrugBank:DB00441 xref: KEGG:C07650 xref: KEGG:D02368 xref: LINCS:LSM-5333 xref: Patent:EP1939198 xref: Patent:EP2108368 xref: Patent:EP2275135 xref: Patent:GB2136425 xref: Patent:US2009124797 xref: Patent:US2010111852 xref: Patent:US4808614 xref: PDBeChem:GEO xref: PMID:11034044 {source="Europe PMC"} xref: PMID:11061612 {source="Europe PMC"} xref: PMID:11088063 {source="Europe PMC"} xref: PMID:11122828 {source="Europe PMC"} xref: PMID:11132538 {source="Europe PMC"} xref: PMID:11142482 {source="Europe PMC"} xref: PMID:11221019 {source="Europe PMC"} xref: PMID:11356111 {source="ChEMBL"} xref: PMID:11374818 {source="Europe PMC"} xref: PMID:11489002 {source="Europe PMC"} xref: PMID:11504793 {source="Europe PMC"} xref: PMID:11510027 {source="Europe PMC"} xref: PMID:11585734 {source="Europe PMC"} xref: PMID:11595724 {source="Europe PMC"} xref: PMID:11807603 {source="Europe PMC"} xref: PMID:11859947 {source="Europe PMC"} xref: PMID:11901308 {source="Europe PMC"} xref: PMID:12057041 {source="Europe PMC"} xref: PMID:12057046 {source="Europe PMC"} xref: PMID:12057157 {source="Europe PMC"} xref: PMID:12115355 {source="Europe PMC"} xref: PMID:12142097 {source="Europe PMC"} xref: PMID:12520460 {source="Europe PMC"} xref: PMID:12571808 {source="Europe PMC"} xref: PMID:12722678 {source="Europe PMC"} xref: PMID:12722691 {source="Europe PMC"} xref: PMID:12743987 {source="Europe PMC"} xref: PMID:12761494 {source="Europe PMC"} xref: PMID:12798170 {source="Europe PMC"} xref: PMID:12917815 {source="Europe PMC"} xref: PMID:12954073 {source="Europe PMC"} xref: PMID:14606642 {source="Europe PMC"} xref: PMID:14653877 {source="Europe PMC"} xref: PMID:14720338 {source="Europe PMC"} xref: PMID:15131028 {source="Europe PMC"} xref: PMID:15160243 {source="Europe PMC"} xref: PMID:15221904 {source="Europe PMC"} xref: PMID:15282439 {source="Europe PMC"} xref: PMID:15297392 {source="Europe PMC"} xref: PMID:15542781 {source="Europe PMC"} xref: PMID:15637766 {source="Europe PMC"} xref: PMID:15744590 {source="Europe PMC"} xref: PMID:16001951 {source="Europe PMC"} xref: PMID:16041610 {source="Europe PMC"} xref: PMID:16080557 {source="Europe PMC"} xref: PMID:16143373 {source="Europe PMC"} xref: PMID:16149285 {source="Europe PMC"} xref: PMID:16317298 {source="Europe PMC"} xref: PMID:16500746 {source="Europe PMC"} xref: PMID:16555971 {source="Europe PMC"} xref: PMID:16584929 {source="Europe PMC"} xref: PMID:16807461 {source="Europe PMC"} xref: PMID:16807463 {source="Europe PMC"} xref: PMID:16894289 {source="Europe PMC"} xref: PMID:16905983 {source="Europe PMC"} xref: PMID:17101674 {source="ChEMBL"} xref: PMID:17296311 {source="Europe PMC"} xref: PMID:17296587 {source="Europe PMC"} xref: PMID:17347561 {source="Europe PMC"} xref: PMID:17429628 {source="Europe PMC"} xref: PMID:17460420 {source="Europe PMC"} xref: PMID:17602464 {source="ChEMBL"} xref: PMID:17639396 {source="Europe PMC"} xref: PMID:17887663 {source="ChEMBL"} xref: PMID:17939651 {source="ChEMBL"} xref: PMID:17941128 {source="Europe PMC"} xref: PMID:17987263 {source="Europe PMC"} xref: PMID:18035967 {source="Europe PMC"} xref: PMID:18050344 {source="Europe PMC"} xref: PMID:18086345 {source="Europe PMC"} xref: PMID:18166944 {source="Europe PMC"} xref: PMID:18186604 {source="ChEMBL"} xref: PMID:18257544 {source="ChEMBL"} xref: PMID:18348652 {source="Europe PMC"} xref: PMID:18773046 {source="Europe PMC"} xref: PMID:18789834 {source="Europe PMC"} xref: PMID:18819792 {source="Europe PMC"} xref: PMID:18981552 {source="Europe PMC"} xref: PMID:19034448 {source="Europe PMC"} xref: PMID:19177022 {source="Europe PMC"} xref: PMID:19399788 {source="Europe PMC"} xref: PMID:19839926 {source="Europe PMC"} xref: PMID:19879060 {source="Europe PMC"} xref: PMID:22763439 {source="Europe PMC"} xref: PMID:28594276 {source="Europe PMC"} xref: PMID:28608357 {source="Europe PMC"} xref: PMID:28912244 {source="Europe PMC"} xref: Reaxys:5382060 {source="Reaxys"} xref: Wikipedia:Gemcitabine is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:132992 ! radiosensitizing agent relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:36044 ! antiviral drug relationship: has_role CHEBI:47868 ! photosensitizing agent relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11F2N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SDUQYLNIPVEERB-QPPQHZFASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.19810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.07176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1" xsd:string [Term] id: CHEBI:17593 name: maltooligosaccharide namespace: chebi_ontology alt_id: CHEBI:11169 alt_id: CHEBI:18926 alt_id: CHEBI:543 alt_id: CHEBI:64478 def: "A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose." [] subset: 3_STAR synonym: "(1->4)-alpha-D-glucooligosaccharides" RELATED [ChEBI] synonym: "maltooligosaccharides" RELATED [ChEBI] is_a: CHEBI:24268 ! glucooligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17594 name: hydroquinone namespace: chebi_ontology alt_id: CHEBI:14416 alt_id: CHEBI:24645 alt_id: CHEBI:5793 def: "A benzenediol comprising benzene core carrying two hydroxy substituents para to each other." [] subset: 3_STAR synonym: "1,4-Benzenediol" RELATED [] synonym: "1,4-Dihydroxybenzene" RELATED [] synonym: "4-Hydroxyphenol" RELATED [] synonym: "Benzene-1,4-diol" RELATED [] synonym: "benzene-1,4-diol" EXACT [] synonym: "Eldoquin" RELATED [] synonym: "Hydroquinone" EXACT [] synonym: "hydroquinone" EXACT [] synonym: "p-Benzenediol" RELATED [] synonym: "p-Hydroquinone" RELATED [] synonym: "p-hydroxyphenol" RELATED [] synonym: "Quinol" RELATED [] xref: Beilstein:605970 xref: CAS:123-31-9 xref: Drug_Central:3282 xref: Gmelin:2742 xref: HMDB:HMDB0002434 xref: KEGG:C00530 xref: KEGG:C15603 xref: KEGG:D00073 xref: KNApSAcK:C00002656 xref: MetaCyc:HYDROQUINONE xref: PMID:11170505 xref: PMID:12213471 xref: PMID:1395635 xref: PMID:15618234 xref: PMID:15894107 xref: PMID:1899343 xref: PMID:19148301 xref: PMID:24407054 xref: PMID:24858384 xref: PMID:25586344 xref: PPDB:1503 xref: Reaxys:605970 xref: UM-BBD_compID:c0091 xref: Wikipedia:Hydroquinone is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIGBRXMKCJKVMJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.11064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(O)cc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17602 name: 4-aminophenol namespace: chebi_ontology alt_id: CHEBI:12001 alt_id: CHEBI:1856 alt_id: CHEBI:20395 alt_id: CHEBI:40037 def: "An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group." [] subset: 3_STAR synonym: "4-Aminobenzenol" RELATED [KEGG_COMPOUND] synonym: "4-AMINOPHENOL" EXACT [PDBeChem] synonym: "4-Aminophenol" EXACT [KEGG_COMPOUND] synonym: "4-aminophenol" EXACT [UniProt] synonym: "4-aminophenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxyaniline" RELATED [KEGG_COMPOUND] synonym: "p-Aminophenol" RELATED [KEGG_COMPOUND] synonym: "p-hydroxyaniline" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:385836 {source="Beilstein"} xref: CAS:123-30-8 {source="NIST Chemistry WebBook"} xref: CAS:123-30-8 {source="ChemIDplus"} xref: CAS:123-30-8 {source="KEGG COMPOUND"} xref: Gmelin:2926 {source="Gmelin"} xref: HMDB:HMDB0001169 xref: KEGG:C02372 xref: MetaCyc:CPD-259 xref: PDBeChem:4NL xref: PMID:11304127 {source="Europe PMC"} xref: PMID:1395635 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:7179289 {source="Europe PMC"} xref: Reaxys:385836 {source="Reaxys"} xref: UM-BBD_compID:c0090 {source="UM-BBD"} xref: Wikipedia:4-Aminophenol is_a: CHEBI:28829 ! aminophenol relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PLIKAWJENQZMHA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "109.12592" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.05276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(O)cc1" xsd:string [Term] id: CHEBI:17608 name: D-aldohexose namespace: chebi_ontology alt_id: CHEBI:12990 alt_id: CHEBI:21038 def: "Any D-aldose having a chain of six carbon atoms in the molecule." [] subset: 3_STAR synonym: "D-aldohexoses" RELATED [ChEBI] is_a: CHEBI:33917 ! aldohexose is_a: CHEBI:4194 ! D-hexose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17620 name: ferulic acid namespace: chebi_ontology alt_id: CHEBI:14260 alt_id: CHEBI:24030 alt_id: CHEBI:42445 alt_id: CHEBI:5046 def: "A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring." [] subset: 3_STAR synonym: "(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-4'-hydroxy-3'-methoxycinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-4-Hydroxy-3-methoxycinnamic acid" RELATED [HMDB] synonym: "(E)-Ferulic acid" RELATED [ChemIDplus] synonym: "3-(4-Hydroxy-3-methoxyphenyl)propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-methoxy-4-hydroxy-trans-cinnamic acid" RELATED [ChEBI] synonym: "4-Hydroxy-3-methoxycinnamic acid" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxycinnamic acid" RELATED [ChEBI] synonym: "Ferulic acid" EXACT [KEGG_COMPOUND] synonym: "trans-4-Hydroxy-3-methoxycinnamic acid" RELATED [ChemIDplus] synonym: "trans-Ferulic acid" RELATED [ChemIDplus] xref: CAS:1135-24-6 {source="ChemIDplus"} xref: CAS:1135-24-6 {source="KEGG COMPOUND"} xref: CAS:537-98-4 {source="NIST Chemistry WebBook"} xref: CAS:537-98-4 {source="ChemIDplus"} xref: CAS:537-98-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000954 xref: KEGG:C01494 xref: KNApSAcK:C00002743 xref: MetaCyc:FERULIC-ACID xref: PDBeChem:FER xref: PMID:11041377 {source="Europe PMC"} xref: PMID:11982438 {source="Europe PMC"} xref: PMID:12529986 {source="Europe PMC"} xref: PMID:15162367 {source="Europe PMC"} xref: PMID:15309442 {source="Europe PMC"} xref: PMID:16011737 {source="Europe PMC"} xref: PMID:16185284 {source="Europe PMC"} xref: PMID:18582080 {source="Europe PMC"} xref: PMID:18651237 {source="Europe PMC"} xref: PMID:18707110 {source="Europe PMC"} xref: PMID:18795822 {source="Europe PMC"} xref: PMID:19594750 {source="Europe PMC"} xref: PMID:8821508 {source="Europe PMC"} xref: Reaxys:1570363 {source="Reaxys"} xref: Wikipedia:Ferulic_Acid is_a: CHEBI:24031 ! ferulic acids relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:64345 ! MALDI matrix material relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:68494 ! apoptosis inhibitor relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77307 ! cardioprotective agent relationship: is_conjugate_acid_of CHEBI:29749 ! ferulate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KSEBMYQBYZTDHS-HWKANZROSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.18400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(\\C=C\\C(O)=O)ccc1O" xsd:string [Term] id: CHEBI:17632 name: nitrate namespace: chebi_ontology alt_id: CHEBI:14654 alt_id: CHEBI:44487 alt_id: CHEBI:71263 def: "A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3." [] subset: 3_STAR synonym: "[NO3](-)" RELATED [IUPAC] synonym: "nitrate" EXACT [UniProt] synonym: "nitrate" EXACT IUPAC_NAME [IUPAC] synonym: "NITRATE ION" RELATED [PDBeChem] synonym: "nitrate(1-)" RELATED [ChemIDplus] synonym: "NO3" RELATED [ChEBI] synonym: "NO3(-)" RELATED [IUPAC] synonym: "trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxonitrate(V)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587575 {source="Beilstein"} xref: CAS:14797-55-8 {source="ChemIDplus"} xref: CAS:14797-55-8 {source="NIST Chemistry WebBook"} xref: Gmelin:1574 {source="Gmelin"} xref: MetaCyc:NITRATE {source="SUBMITTER"} xref: PDBeChem:NO3 xref: Wikipedia:Nitrate is_a: CHEBI:33458 ! nitrogen oxoanion is_a: CHEBI:62764 ! reactive nitrogen species is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:48107 ! nitric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO3/c2-1(3)4/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NHNBFGGVMKEFGY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.00490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.98837" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+]([O-])=O" xsd:string [Term] id: CHEBI:17634 name: D-glucose namespace: chebi_ontology alt_id: CHEBI:12965 alt_id: CHEBI:20999 def: "A glucose with D-configuration." [] comment: LanguaL term definition: Used when dextrose or a high dextrose sweetener, such as corn syrup or corn syrup solids, is the major ingredient. subset: 3_STAR synonym: "D(+)-glucose" RELATED [ChemIDplus] synonym: "D-(+)-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "D-gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "dextrose" RELATED [NIST_Chemistry_WebBook] synonym: "grape sugar" RELATED [ChemIDplus] synonym: "Traubenzucker" RELATED [ChemIDplus] xref: CAS:50-99-7 {source="NIST Chemistry WebBook"} xref: CAS:50-99-7 {source="ChemIDplus"} xref: http://www.langual.org/langual_thesaurus.asp?termid=C0222 is_a: CHEBI:17234 ! glucose is_a: CHEBI:17608 ! D-aldohexose is_a: FOODON:03420108 ! sugar property_value: hasSynonym "glucose, d-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: IAO:0000118 "dextrose" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17642 name: pentachlorophenol namespace: chebi_ontology alt_id: CHEBI:14745 alt_id: CHEBI:25871 alt_id: CHEBI:49821 alt_id: CHEBI:7971 def: "A chlorophenol that is phenol substituted by 5 chloro groups." [] subset: 3_STAR synonym: "2,3,4,5,6-pentachlorophenol" RELATED [NIST_Chemistry_WebBook] synonym: "PCP" RELATED [KEGG_COMPOUND] synonym: "PENTACHLOROPHENOL" EXACT [PDBeChem] synonym: "Pentachlorophenol" EXACT [KEGG_COMPOUND] synonym: "pentachlorophenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1285380 {source="ChemIDplus"} xref: CAS:87-86-5 {source="ChemIDplus"} xref: CAS:87-86-5 {source="NIST Chemistry WebBook"} xref: CAS:87-86-5 {source="KEGG COMPOUND"} xref: Gmelin:102794 {source="Gmelin"} xref: HMDB:HMDB0041974 xref: KEGG:C02575 xref: KNApSAcK:C00007496 xref: LINCS:LSM-37108 xref: MetaCyc:PENTACHLOROPHENOL xref: PDBeChem:PCI xref: PMID:17497895 {source="Europe PMC"} xref: PMID:23636589 {source="Europe PMC"} xref: PMID:24123209 {source="Europe PMC"} xref: PPDB:513 xref: Reaxys:1285380 {source="Reaxys"} xref: UM-BBD_compID:c0326 {source="UM-BBD"} xref: Wikipedia:Pentachlorophenol is_a: CHEBI:23150 ! chlorophenol is_a: CHEBI:38656 ! organochlorine pesticide is_a: CHEBI:83390 ! pentachlorobenzenes is_a: CHEBI:87034 ! aromatic fungicide relationship: has_functional_parent CHEBI:47136 ! pentachlorobenzene relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:58217 ! pentachlorophenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HCl5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IZUPBVBPLAPZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.33504" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.84700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:176497 name: geroprotector namespace: chebi_ontology def: "Any compound that supports healthy aging, slows the biological aging process, or extends lifespan." [] subset: 3_STAR synonym: "anti-aging agent" RELATED [ChEBI] synonym: "anti-aging agents" RELATED [ChEBI] synonym: "anti-aging drug" RELATED [ChEBI] synonym: "anti-aging drugs" RELATED [ChEBI] synonym: "geroprotective agent" RELATED [ChEBI] synonym: "geroprotective agents" RELATED [ChEBI] synonym: "geroprotectors" RELATED [ChEBI] xref: PMID:23372317 {source="Europe PMC"} xref: PMID:28580190 {source="Europe PMC"} xref: PMID:30885572 {source="Europe PMC"} xref: PMID:33144142 {source="Europe PMC"} xref: PMID:33973253 {source="Europe PMC"} xref: PMID:34606237 {source="Europe PMC"} xref: Wikipedia:Geroprotector is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:17650 name: cortisol namespace: chebi_ontology alt_id: CHEBI:14023 alt_id: CHEBI:24633 alt_id: CHEBI:3893 alt_id: CHEBI:58221 def: "A 17alpha-hydroxy-C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the \"stress hormone\" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses" [] subset: 3_STAR synonym: "(11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "11beta,17,21-trihydroxypregn-4-ene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "11beta-hydrocortisone" RELATED [NIST_Chemistry_WebBook] synonym: "17-hydroxycorticosterone" RELATED [ChemIDplus] synonym: "4-pregnen-11beta,17alpha,21-triol-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "Cortisol" EXACT [KEGG_COMPOUND] synonym: "cortisol" EXACT [UniProt] synonym: "hidrocortisona" RELATED INN [ChemIDplus] synonym: "Hydrocortisone" RELATED [KEGG_COMPOUND] synonym: "hydrocortisone" RELATED INN [ChemIDplus] synonym: "hydrocortisonum" RELATED INN [ChemIDplus] synonym: "Kendall's compound F" RELATED [KEGG_COMPOUND] synonym: "Reichstein's substance M" RELATED [KEGG_COMPOUND] xref: Beilstein:1354819 {source="Beilstein"} xref: CAS:50-23-7 {source="NIST Chemistry WebBook"} xref: CAS:50-23-7 {source="KEGG COMPOUND"} xref: CAS:50-23-7 {source="ChemIDplus"} xref: Drug_Central:1388 {source="DrugCentral"} xref: DrugBank:DB00741 xref: KEGG:C00735 xref: KEGG:D00088 xref: LINCS:LSM-5980 xref: LIPID_MAPS_instance:LMST02030001 {source="LIPID MAPS"} xref: Patent:US2602769 xref: PDBeChem:HCY xref: PMID:10438974 {source="Europe PMC"} xref: PMID:2268561 {source="Europe PMC"} xref: Wikipedia:Hydrocortisone is_a: CHEBI:138141 ! 17alpha-hydroxy-C21-steroid is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:24261 ! glucocorticoid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:49167 ! anti-asthmatic drug relationship: has_role CHEBI:50857 ! anti-allergic agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H30O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JYGXADMDTFJGBT-VWUMJDOOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "362.45990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "362.20932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO" xsd:string [Term] id: CHEBI:17654 name: electron acceptor namespace: chebi_ontology alt_id: CHEBI:14207 alt_id: CHEBI:14716 alt_id: CHEBI:7835 def: "A substance to which an electron may be transferred." [] subset: 3_STAR synonym: "electron acceptor" EXACT IUPAC_NAME [IUPAC] synonym: "Elektronenakzeptor" RELATED [ChEBI] synonym: "Oxidized donor" RELATED [KEGG_COMPOUND] xref: KEGG:C02177 is_a: CHEBI:15339 ! acceptor [Term] id: CHEBI:17658 name: tylosin namespace: chebi_ontology alt_id: CHEBI:15275 alt_id: CHEBI:27172 alt_id: CHEBI:46150 alt_id: CHEBI:9787 def: "A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae." [] subset: 3_STAR synonym: "[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "tilosina" RELATED INN [ChemIDplus] synonym: "Tylan" RELATED [ChemIDplus] synonym: "Tylocine" RELATED [ChemIDplus] synonym: "Tylosin" EXACT [KEGG_COMPOUND] synonym: "tylosin" RELATED INN [ChemIDplus] synonym: "Tylosin A" RELATED [ChemIDplus] synonym: "tylosine" RELATED INN [ChemIDplus] synonym: "tylosinum" RELATED INN [ChemIDplus] xref: CAS:1401-69-0 {source="ChemIDplus"} xref: CAS:1401-69-0 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034108 xref: KEGG:C01457 xref: KEGG:D02490 xref: LIPID_MAPS_instance:LMPK04000004 {source="LIPID MAPS"} xref: MetaCyc:TYLOSIN xref: Patent:US2004082524 xref: PDBeChem:TYK xref: PMID:18836909 {source="Europe PMC"} xref: PMID:23013044 {source="Europe PMC"} xref: PMID:23352520 {source="Europe PMC"} xref: PMID:23397987 {source="Europe PMC"} xref: PMID:23398744 {source="Europe PMC"} xref: PMID:23928021 {source="Europe PMC"} xref: PMID:23985521 {source="Europe PMC"} xref: PMID:24063615 {source="Europe PMC"} xref: PMID:24113548 {source="Europe PMC"} xref: PMID:24201036 {source="Europe PMC"} xref: PMID:24270892 {source="Europe PMC"} xref: PMID:24393633 {source="Europe PMC"} xref: PMID:7867337 {source="Europe PMC"} xref: Reaxys:4651020 {source="Reaxys"} xref: Wikipedia:Tylosin is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:25022 ! leucomycin is_a: CHEBI:25105 ! macrolide antibiotic is_a: CHEBI:51689 ! enone is_a: CHEBI:63353 ! disaccharide derivative is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:29700 ! tylactone relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:77047 ! tylosin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C46H77NO17" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBPYTXDJUQJLPQ-VMXQISHHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "916.10010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "915.51915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\\C=C\\C(\\C)=C\\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC" xsd:string [Term] id: CHEBI:176783 name: vitamin C namespace: chebi_ontology alt_id: CHEBI:21241 def: "Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms." [] comment: Langual document note: DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]. subset: 3_STAR synonym: "Vitamin C" EXACT [ChEBI] synonym: "vitamin C vitamer" RELATED [ChEBI] synonym: "vitamin C vitamers" RELATED [ChEBI] synonym: "vitamina C" RELATED [ChEBI] synonym: "vitamine C" RELATED [ChEBI] synonym: "vitaminum C" RELATED [ChEBI] xref: langual:thesaurus.asp?termid=B3763 xref: PMCID:PMC8088531 {source="Europe PMC"} xref: PMID:21885436 {source="Europe PMC"} xref: PMID:33916257 {source="Europe PMC"} xref: PMID:34064549 {source="Europe PMC"} xref: Wikipedia:Vitamin_C is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:50523 ! butenolide relationship: has_role CHEBI:27314 ! water-soluble vitamin (role) property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:176838 name: vitamin B2 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms)." [] subset: 3_STAR synonym: "vitamin B-2" RELATED [ChEBI] synonym: "vitamin B2" EXACT [ChEBI] synonym: "vitamins B2" RELATED [ChEBI] synonym: "vitamins B2 vitamer" RELATED [ChEBI] synonym: "vitamins B2 vitamers" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:176839 name: vitamin B3 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-3" RELATED [ChEBI] synonym: "vitamin B3" EXACT [ChEBI] synonym: "vitamin B3 vitamer" RELATED [ChEBI] synonym: "vitamin B3 vitamers" RELATED [ChEBI] synonym: "vitamins B3" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:176840 name: vitamin B5 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-5" RELATED [ChEBI] synonym: "vitamin B5" EXACT [ChEBI] synonym: "vitamin B5 vitamer" RELATED [ChEBI] synonym: "vitamin B5 vitamers" RELATED [ChEBI] synonym: "vitamins B5" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176841 name: vitamin B7 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-7" RELATED [ChEBI] synonym: "vitamin B7" EXACT [ChEBI] synonym: "vitamin B7 vitamer" RELATED [ChEBI] synonym: "vitamin B7 vitamers" RELATED [ChEBI] synonym: "vitamins B7" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:176842 name: vitamin B9 namespace: chebi_ontology def: "Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin." [] subset: 3_STAR synonym: "folate vitamer" RELATED [ChEBI] synonym: "folate vitamers" RELATED [ChEBI] synonym: "vitamin B-9" RELATED [ChEBI] synonym: "vitamin B9" EXACT [ChEBI] synonym: "vitamin B9 vitamer" RELATED [ChEBI] synonym: "vitamin B9 vitamers" RELATED [ChEBI] synonym: "vitamins B9" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:176843 name: vitamin B12 namespace: chebi_ontology def: "Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives)." [] subset: 3_STAR synonym: "vitamin B-12" RELATED [ChEBI] synonym: "vitamin B12" EXACT [ChEBI] synonym: "vitamin B12 vitamer" RELATED [ChEBI] synonym: "vitamin B12 vitamers" RELATED [ChEBI] synonym: "vitamins B12" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:17688 name: (S)-nicotine namespace: chebi_ontology alt_id: CHEBI:14653 alt_id: CHEBI:25536 alt_id: CHEBI:44268 alt_id: CHEBI:7562 def: "A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum." [] subset: 3_STAR synonym: "(-)-3-(1-Methyl-2-pyrrolidyl)pyridine" RELATED [HMDB] synonym: "(-)-3-(N-Methylpyrrolidino)pyridine" RELATED [HMDB] synonym: "(-)-nicotine" RELATED [ChemIDplus] synonym: "(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine" RELATED [HMDB] synonym: "(S)-(-)-nicotine" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-3-(1-methylpyrrolidin-2-yl)pyridine" RELATED [KEGG_COMPOUND] synonym: "(S)-3-(N-methylpyrrolidin-2-yl)pyridine" RELATED [IUBMB] synonym: "(S)-Nicotine" EXACT [KEGG_COMPOUND] synonym: "(S)-nicotine" EXACT [ChemIDplus] synonym: "1-Methyl-2-(3-pyridyl)pyrrolidine" RELATED [HMDB] synonym: "3-(1-Methyl-2-pyrollidinyl)pyridine" RELATED [HMDB] synonym: "3-(1-Methylpyrrolidin-2-yl)pyridine" RELATED [HMDB] synonym: "3-(2-(N-methylpyrrolidinyl))pyridine" RELATED [NIST_Chemistry_WebBook] synonym: "3-(N-methylpyrollidino)pyridine" RELATED [NIST_Chemistry_WebBook] synonym: "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine" EXACT IUPAC_NAME [IUPAC] synonym: "L(-)-nicotine" RELATED [IUBMB] synonym: "L-3-(1-Methyl-2-pyrrolidyl)pyridine" RELATED [HMDB] synonym: "L-Nicotine" RELATED [HMDB] synonym: "Nicotine" RELATED [KEGG_COMPOUND] synonym: "Nicotine" RELATED [HMDB] xref: Beilstein:3604351 "Beilstein" xref: Beilstein:3604351 {source="Beilstein"} xref: Beilstein:82109 "Beilstein" xref: Beilstein:82109 {source="Beilstein"} xref: BPDB:485 xref: CAS:54-11-5 "NIST Chemistry WebBook" xref: CAS:54-11-5 {source="ChemIDplus"} xref: CAS:54-11-5 {source="KEGG COMPOUND"} xref: CAS:54-11-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:1920 "DrugCentral" xref: Drug_Central:1920 {source="DrugCentral"} xref: DrugBank:DB00184 xref: HMDB:HMDB0001934 xref: KEGG:C00745 xref: KEGG:D03365 xref: KNApSAcK:C00002057 xref: LINCS:LSM-2093 xref: MetaCyc:NICOTINE xref: PDBeChem:NCT xref: PMID:11209966 "Europe PMC" xref: PMID:11209966 {source="Europe PMC"} xref: PMID:11322615 "Europe PMC" xref: PMID:11322615 {source="Europe PMC"} xref: PMID:11406005 "Europe PMC" xref: PMID:11406005 {source="Europe PMC"} xref: PMID:11719700 "Europe PMC" xref: PMID:11719700 {source="Europe PMC"} xref: PMID:11768184 "Europe PMC" xref: PMID:11768184 {source="Europe PMC"} xref: PMID:11821649 "Europe PMC" xref: PMID:11821649 {source="Europe PMC"} xref: PMID:11851194 "Europe PMC" xref: PMID:11851194 {source="Europe PMC"} xref: PMID:12575980 "Europe PMC" xref: PMID:12575980 {source="Europe PMC"} xref: PMID:12692774 "Europe PMC" xref: PMID:12692774 {source="Europe PMC"} xref: PMID:12769614 "Europe PMC" xref: PMID:12769614 {source="Europe PMC"} xref: PMID:12850578 "Europe PMC" xref: PMID:12850578 {source="Europe PMC"} xref: PMID:12971663 "Europe PMC" xref: PMID:12971663 {source="Europe PMC"} xref: PMID:13590907 "Europe PMC" xref: PMID:13590907 {source="Europe PMC"} xref: PMID:14674846 "Europe PMC" xref: PMID:14674846 {source="Europe PMC"} xref: PMID:14761239 "Europe PMC" xref: PMID:14761239 {source="Europe PMC"} xref: PMID:14975706 "Europe PMC" xref: PMID:14975706 {source="Europe PMC"} xref: PMID:15019421 "Europe PMC" xref: PMID:15019421 {source="Europe PMC"} xref: PMID:15027713 "Europe PMC" xref: PMID:15027713 {source="Europe PMC"} xref: PMID:15251917 "Europe PMC" xref: PMID:15251917 {source="Europe PMC"} xref: PMID:15276225 "Europe PMC" xref: PMID:15276225 {source="Europe PMC"} xref: PMID:15380834 "Europe PMC" xref: PMID:15380834 {source="Europe PMC"} xref: PMID:15502843 "Europe PMC" xref: PMID:15502843 {source="Europe PMC"} xref: PMID:15527885 "Europe PMC" xref: PMID:15527885 {source="Europe PMC"} xref: PMID:15707677 "Europe PMC" xref: PMID:15707677 {source="Europe PMC"} xref: PMID:15734728 "Europe PMC" xref: PMID:15734728 {source="Europe PMC"} xref: PMID:15826609 "Europe PMC" xref: PMID:15826609 {source="Europe PMC"} xref: PMID:15894687 "Europe PMC" xref: PMID:15894687 {source="Europe PMC"} xref: PMID:15902919 "Europe PMC" xref: PMID:15902919 {source="Europe PMC"} xref: PMID:15960296 "Europe PMC" xref: PMID:15960296 {source="Europe PMC"} xref: PMID:15963341 "Europe PMC" xref: PMID:15963341 {source="Europe PMC"} xref: PMID:16059663 "Europe PMC" xref: PMID:16059663 {source="Europe PMC"} xref: PMID:16212709 "Europe PMC" xref: PMID:16212709 {source="Europe PMC"} xref: PMID:16333621 "Europe PMC" xref: PMID:16333621 {source="Europe PMC"} xref: PMID:16370520 "Europe PMC" xref: PMID:16370520 {source="Europe PMC"} xref: PMID:16496293 "Europe PMC" xref: PMID:16496293 {source="Europe PMC"} xref: PMID:17023324 "Europe PMC" xref: PMID:17023324 {source="Europe PMC"} xref: PMID:17206646 "Europe PMC" xref: PMID:17206646 {source="Europe PMC"} xref: PMID:17292347 "Europe PMC" xref: PMID:17292347 {source="Europe PMC"} xref: PMID:17350101 "Europe PMC" xref: PMID:17350101 {source="Europe PMC"} xref: PMID:17498763 "Europe PMC" xref: PMID:17498763 {source="Europe PMC"} xref: PMID:17504235 "Europe PMC" xref: PMID:17504235 {source="Europe PMC"} xref: PMID:17525204 "Europe PMC" xref: PMID:17525204 {source="Europe PMC"} xref: PMID:17560039 "Europe PMC" xref: PMID:17560039 {source="Europe PMC"} xref: PMID:17683794 "Europe PMC" xref: PMID:17683794 {source="Europe PMC"} xref: PMID:18380035 "Europe PMC" xref: PMID:18380035 {source="Europe PMC"} xref: PMID:18383130 "Europe PMC" xref: PMID:18383130 {source="Europe PMC"} xref: PMID:18490768 "Europe PMC" xref: PMID:18490768 {source="Europe PMC"} xref: PMID:18683238 "Europe PMC" xref: PMID:18683238 {source="Europe PMC"} xref: PMID:18685152 "Europe PMC" xref: PMID:18685152 {source="Europe PMC"} xref: PMID:18805442 "Europe PMC" xref: PMID:18805442 {source="Europe PMC"} xref: PMID:18922921 "Europe PMC" xref: PMID:18922921 {source="Europe PMC"} xref: PMID:19100291 "Europe PMC" xref: PMID:19100291 {source="Europe PMC"} xref: PMID:19100331 "Europe PMC" xref: PMID:19100331 {source="Europe PMC"} xref: PMID:19287496 "Europe PMC" xref: PMID:19287496 {source="Europe PMC"} xref: PMID:19389046 "Europe PMC" xref: PMID:19389046 {source="Europe PMC"} xref: PMID:19448649 "Europe PMC" xref: PMID:19448649 {source="Europe PMC"} xref: PMID:19465085 "Europe PMC" xref: PMID:19465085 {source="Europe PMC"} xref: PMID:19850423 "Europe PMC" xref: PMID:19850423 {source="Europe PMC"} xref: PMID:19954906 "Europe PMC" xref: PMID:19954906 {source="Europe PMC"} xref: PMID:21521420 "Europe PMC" xref: PMID:21521420 {source="Europe PMC"} xref: PMID:21636612 "Europe PMC" xref: PMID:21636612 {source="Europe PMC"} xref: PMID:21822688 "Europe PMC" xref: PMID:21822688 {source="Europe PMC"} xref: PMID:21945235 "Europe PMC" xref: PMID:21945235 {source="Europe PMC"} xref: PMID:21947355 "Europe PMC" xref: PMID:21947355 {source="Europe PMC"} xref: PMID:22030716 "Europe PMC" xref: PMID:22030716 {source="Europe PMC"} xref: PMID:22129149 "Europe PMC" xref: PMID:22129149 {source="Europe PMC"} xref: PMID:22218403 "Europe PMC" xref: PMID:22218403 {source="Europe PMC"} xref: PMID:22265518 "Europe PMC" xref: PMID:22265518 {source="Europe PMC"} xref: PMID:22331007 "Europe PMC" xref: PMID:22331007 {source="Europe PMC"} xref: PMID:22377934 "Europe PMC" xref: PMID:22377934 {source="Europe PMC"} xref: PMID:22459798 "Europe PMC" xref: PMID:22459798 {source="Europe PMC"} xref: PMID:22529223 "Europe PMC" xref: PMID:22529223 {source="Europe PMC"} xref: PMID:22530136 "Europe PMC" xref: PMID:22530136 {source="Europe PMC"} xref: PMID:27951416 "Europe PMC" xref: PMID:27951416 {source="Europe PMC"} xref: PMID:28187919 "Europe PMC" xref: PMID:28187919 {source="Europe PMC"} xref: PMID:28391535 "Europe PMC" xref: PMID:28391535 {source="Europe PMC"} xref: PMID:28574230 "Europe PMC" xref: PMID:28574230 {source="Europe PMC"} xref: PMID:28641297 "Europe PMC" xref: PMID:28641297 {source="Europe PMC"} xref: PMID:28678400 "Europe PMC" xref: PMID:28678400 {source="Europe PMC"} xref: PMID:28683421 "Europe PMC" xref: PMID:28683421 {source="Europe PMC"} xref: PMID:28686840 "Europe PMC" xref: PMID:28686840 {source="Europe PMC"} xref: PMID:28698187 "Europe PMC" xref: PMID:28698187 {source="Europe PMC"} xref: PMID:28700952 "Europe PMC" xref: PMID:28700952 {source="Europe PMC"} xref: PMID:28704277 "Europe PMC" xref: PMID:28704277 {source="Europe PMC"} xref: PMID:28710519 "Europe PMC" xref: PMID:28710519 {source="Europe PMC"} xref: PMID:28711472 "Europe PMC" xref: PMID:28711472 {source="Europe PMC"} xref: PMID:28714396 "Europe PMC" xref: PMID:28714396 {source="Europe PMC"} xref: PMID:28718768 "Europe PMC" xref: PMID:28718768 {source="Europe PMC"} xref: PMID:28718828 "Europe PMC" xref: PMID:28718828 {source="Europe PMC"} xref: PMID:28726253 "Europe PMC" xref: PMID:28726253 {source="Europe PMC"} xref: PMID:28735272 "Europe PMC" xref: PMID:28735272 {source="Europe PMC"} xref: Reaxys:82109 {source="Reaxys"} xref: Reaxys:82109 "Reaxys" xref: Wikipedia:Nicotine is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine relationship: has_role CHEBI:22917 ! phytogenic insecticide relationship: has_role CHEBI:35474 ! anxiolytic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist relationship: has_role CHEBI:49110 ! peripheral nervous system drug relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:52290 ! mitogen relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:59806 ! (S)-nicotinium(1+) relationship: is_enantiomer_of CHEBI:39162 ! (R)-nicotine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNICXCGAKADSCV-JTQLQIEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.232" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.11570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C([C@]2(N(CCC2)C)[H])C=NC1" xsd:string [Term] id: CHEBI:17698 name: chloramphenicol namespace: chebi_ontology alt_id: CHEBI:13965 alt_id: CHEBI:23106 alt_id: CHEBI:23108 alt_id: CHEBI:3603 alt_id: CHEBI:47327 def: "An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions." [] subset: 3_STAR synonym: "(-)-chloramphenicol" RELATED [ChEBI] synonym: "2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "Amphicol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Chloramex" RELATED BRAND_NAME [ChemIDplus] synonym: "CHLORAMPHENICOL" EXACT [PDBeChem] synonym: "Chloramphenicol" EXACT [KEGG_COMPOUND] synonym: "chloramphenicol" EXACT [UniProt] synonym: "chloramphenicol" RELATED INN [WHO_MedNet] synonym: "chloramphenicolum" RELATED INN [WHO_MedNet] synonym: "chlornitromycin" RELATED [ChEBI] synonym: "Chlorocid" RELATED BRAND_NAME [ChemIDplus] synonym: "Chlorocol" RELATED BRAND_NAME [ChemIDplus] synonym: "Chloromycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "cloramfenicol" RELATED INN [WHO_MedNet] synonym: "D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide" RELATED [ChemIDplus] synonym: "D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol" RELATED [ChemIDplus] synonym: "Econochlor" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Fenicol" RELATED BRAND_NAME [ChemIDplus] synonym: "Globenicol" RELATED BRAND_NAME [ChemIDplus] synonym: "Halomycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "laevomycetinum" RELATED [ChemIDplus] synonym: "levomicetina" RELATED [ChemIDplus] synonym: "levomycetin" RELATED [ChemIDplus] synonym: "Oleomycetin" RELATED BRAND_NAME [ChemIDplus] synonym: "Sificetina" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:2225532 {source="Beilstein"} xref: CAS:56-75-7 {source="NIST Chemistry WebBook"} xref: CAS:56-75-7 {source="ChemIDplus"} xref: Chemspider:5744 xref: Drug_Central:589 {source="DrugCentral"} xref: DrugBank:DB00446 xref: HMDB:HMDB0014589 xref: KEGG:C00918 xref: KEGG:D00104 xref: LINCS:LSM-5256 xref: MetaCyc:CHLORAMPHENICOL xref: Patent:GB795131 xref: Patent:GB796901 xref: Patent:US2483871 xref: Patent:US2483884 xref: Patent:US2483892 xref: Patent:US2839577 xref: PDBeChem:CLM xref: Pesticides:chloramphenicol {source="Alan Wood's Pesticides"} xref: PMID:11468347 {source="Europe PMC"} xref: PMID:12217690 {source="Europe PMC"} xref: PMID:16659995 {source="Europe PMC"} xref: PMID:16897441 {source="Europe PMC"} xref: PMID:17217404 {source="Europe PMC"} xref: PMID:17692887 {source="Europe PMC"} xref: PMID:17963326 {source="Europe PMC"} xref: PMID:18559535 {source="Europe PMC"} xref: PMID:18657290 {source="Europe PMC"} xref: PMID:18794387 {source="Europe PMC"} xref: PMID:23142491 {source="Europe PMC"} xref: PMID:23317719 {source="Europe PMC"} xref: PMID:23395526 {source="Europe PMC"} xref: PMID:23494278 {source="Europe PMC"} xref: PMID:23512826 {source="Europe PMC"} xref: PMID:23698443 {source="Europe PMC"} xref: PMID:657786 {source="Europe PMC"} xref: PMID:6653106 {source="Europe PMC"} xref: PMID:7040026 {source="Europe PMC"} xref: VSDB:1835 xref: Wikipedia:Chloramphenicol is_a: CHEBI:23824 ! diol is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37622 ! carboxamide relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12Cl2N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WIIZWVCIJKGZOK-RKDXNWHRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "323.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "322.01233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:17716 name: lactose namespace: chebi_ontology alt_id: CHEBI:10296 alt_id: CHEBI:10380 alt_id: CHEBI:14497 alt_id: CHEBI:22460 alt_id: CHEBI:22760 alt_id: CHEBI:25005 alt_id: CHEBI:27755 alt_id: CHEBI:613009 def: "A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form." [] subset: 3_STAR synonym: "(+)-lactose" RELATED [NIST_Chemistry_WebBook] synonym: "(Gal)1 (Glc)1" RELATED [KEGG_GLYCAN] synonym: "1-beta-D-Galactopyranosyl-4-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-(beta-D-galactosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-beta-D-galactopyranosyl-D-glucose" RELATED [IUPAC] synonym: "beta-D-Gal-(1->4)-D-Glc" RELATED [KEGG_COMPOUND] synonym: "beta-D-galactopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "beta-Gal1,4-Glc" RELATED [ChEBI] synonym: "D-lactose" RELATED [ChemIDplus] synonym: "Galbeta1-4Glc" RELATED [ChEBI] synonym: "Lac" RELATED [JCBN] synonym: "lactobiose" RELATED [NIST_Chemistry_WebBook] synonym: "lactose" EXACT [UniProt] synonym: "Laktobiose" RELATED [ChEBI] synonym: "Laktose" RELATED [ChEBI] synonym: "Milchzucker" RELATED [ChEBI] synonym: "Milk sugar" RELATED [KEGG_COMPOUND] synonym: "milk sugar" RELATED [NIST_Chemistry_WebBook] synonym: "WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1" RELATED [GlyTouCan] xref: Beilstein:1292745 {source="Beilstein"} xref: CAS:63-42-3 {source="NIST Chemistry WebBook"} xref: CAS:63-42-3 {source="ChemIDplus"} xref: CAS:63-42-3 {source="KEGG COMPOUND"} xref: GlyGen:G74621DY xref: GlyTouCan:G74621DY xref: Gmelin:882872 {source="Gmelin"} xref: KEGG:C00243 xref: KEGG:D00046 xref: KEGG:G10504 xref: KNApSAcK:C00001136 xref: PMID:1292745 {source="Europe PMC"} xref: PMID:17329833 {source="Europe PMC"} xref: PMID:18300214 {source="Europe PMC"} xref: PMID:19053747 {source="ChEMBL"} xref: PMID:19846069 {source="Europe PMC"} xref: PMID:19913595 {source="Europe PMC"} xref: PMID:20094999 {source="Europe PMC"} xref: PMID:20503067 {source="Europe PMC"} xref: PMID:20699559 {source="Europe PMC"} xref: PMID:20873837 {source="Europe PMC"} xref: PMID:20961532 {source="Europe PMC"} xref: PMID:21403918 {source="Europe PMC"} xref: PMID:2432147 {source="Europe PMC"} xref: PMID:2456994 {source="Europe PMC"} xref: PMID:28690131 {source="Europe PMC"} xref: PMID:28807538 {source="Europe PMC"} xref: PMID:6194884 {source="Europe PMC"} xref: PMID:7574700 {source="Europe PMC"} xref: Reaxys:1292745 {source="Reaxys"} is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-QKKXKWKRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17741 name: N,N-dimethylformamide namespace: chebi_ontology alt_id: CHEBI:12425 alt_id: CHEBI:21454 alt_id: CHEBI:42077 alt_id: CHEBI:7076 def: "A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups." [] subset: 3_STAR synonym: "Dimethylformamide" RELATED [ChemIDplus] synonym: "DMF" RELATED [KEGG_COMPOUND] synonym: "N,N-Dimethylformamide" EXACT [KEGG_COMPOUND] synonym: "N,N-dimethylformamide" EXACT [UniProt] synonym: "N,N-dimethylformamide" EXACT IUPAC_NAME [IUPAC] synonym: "N,N-Dimethylmethanamide" RELATED [KEGG_COMPOUND] synonym: "N-Formyldimethylamine" RELATED [NIST_Chemistry_WebBook] xref: CAS:68-12-2 {source="ChemIDplus"} xref: CAS:68-12-2 {source="NIST Chemistry WebBook"} xref: CAS:68-12-2 {source="KEGG COMPOUND"} xref: DrugBank:DB01844 xref: HMDB:HMDB0001888 xref: KEGG:C03134 xref: MetaCyc:CPD-581 xref: PDBeChem:DMF xref: PMID:18666198 {source="Europe PMC"} xref: PMID:19608215 {source="Europe PMC"} xref: PMID:23313473 {source="Europe PMC"} xref: PMID:3824392 {source="Europe PMC"} xref: Reaxys:605365 {source="Reaxys"} xref: Wikipedia:Dimethylformamide is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:24079 ! formamides relationship: has_functional_parent CHEBI:16397 ! formamide relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMXDDKWLCZADIW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.09382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.05276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)N(C)C" xsd:string [Term] id: CHEBI:17747 name: bis(2-ethylhexyl) phthalate namespace: chebi_ontology alt_id: CHEBI:13911 alt_id: CHEBI:22889 alt_id: CHEBI:3116 def: "A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid." [] subset: 3_STAR synonym: "1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester" RELATED [NIST_Chemistry_WebBook] synonym: "2-Ethylhexyl phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "bis(2-ethylhexyl) benzene-1,2-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Bis(2-ethylhexyl) o-phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Bis(2-ethylhexyl)phthalate" RELATED [KEGG_COMPOUND] synonym: "bis(2-ethylhexyl)phthalate" RELATED [UniProt] synonym: "Bis(ethylhexyl) phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "DEHP" RELATED [ChemIDplus] synonym: "DEHP" RELATED [KEGG_COMPOUND] synonym: "Di(2-ethylhexyl) o-phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Di(2-ethylhexyl)orthophthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Di(2-ethylhexyl)phthalate" RELATED [KEGG_COMPOUND] synonym: "Di(2-ethylhexyl)phthalate" RELATED [ChemIDplus] synonym: "Di(ethylhexyl) phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "di-iso-Octyl phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Di-sec-octyl phthalate" RELATED [ChemIDplus] synonym: "Di-sec-octyl phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Diethylhexyl phthalate" RELATED [ChemIDplus] synonym: "Dioctyl phthalate" RELATED [KEGG_COMPOUND] synonym: "Octyl phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Phthalic acid bis(2-ethylhexyl) ester" RELATED [NIST_Chemistry_WebBook] synonym: "Phthalic acid di(2-ethylhexyl) ester" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1890696 {source="Beilstein"} xref: CAS:117-81-7 {source="KEGG COMPOUND"} xref: CAS:117-81-7 {source="ChemIDplus"} xref: CAS:117-81-7 {source="NIST Chemistry WebBook"} xref: KEGG:C03690 xref: MetaCyc:BIS2-ETHYLHEXYLPHTHALATE xref: PMID:12963402 {source="Europe PMC"} xref: PMID:16874505 {source="Europe PMC"} xref: PMID:17286146 {source="Europe PMC"} xref: PMID:19211671 {source="Europe PMC"} xref: PMID:19840837 {source="Europe PMC"} xref: PMID:28199414 {source="Europe PMC"} xref: PMID:28763719 {source="Europe PMC"} xref: Reaxys:1890696 {source="Reaxys"} xref: Wikipedia:Bis(2-ethylhexyl)_phthalate is_a: CHEBI:35484 ! phthalate ester is_a: CHEBI:51307 ! diester relationship: has_role CHEBI:68494 ! apoptosis inhibitor relationship: has_role CHEBI:77326 ! androstane receptor agonist relationship: has_role CHEBI:79056 ! plasticiser property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H38O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BJQHLKABXJIVAM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "390.55612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.27701" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC" xsd:string [Term] id: CHEBI:17754 name: glycerol namespace: chebi_ontology alt_id: CHEBI:131422 alt_id: CHEBI:14334 alt_id: CHEBI:24351 alt_id: CHEBI:42998 alt_id: CHEBI:5448 def: "A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups." [] subset: 3_STAR synonym: "1,2,3-Propanetriol" RELATED [KEGG_COMPOUND] synonym: "1,2,3-Trihydroxypropane" RELATED [KEGG_COMPOUND] synonym: "Glycerin" RELATED [KEGG_COMPOUND] synonym: "glycerine" RELATED [ChEBI] synonym: "Glyceritol" RELATED [HMDB] synonym: "GLYCEROL" EXACT [PDBeChem] synonym: "Glycerol" EXACT [KEGG_COMPOUND] synonym: "glycerol" EXACT [UniProt] synonym: "glycerol" EXACT [ChEBI] synonym: "glycerol" RELATED INN [ChemIDplus] synonym: "glycerolum" RELATED INN [ChemIDplus] synonym: "glycyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Glyzerin" RELATED [ChEBI] synonym: "Gro" RELATED [JCBN] synonym: "Oelsuess" RELATED [ChEBI] synonym: "propane-1,2,3-triol" EXACT IUPAC_NAME [IUPAC] synonym: "Propanetriol" RELATED [HMDB] synonym: "Trihydroxypropane" RELATED [HMDB] xref: Beilstein:635685 {source="Beilstein"} xref: CAS:56-81-5 {source="KEGG COMPOUND"} xref: CAS:56-81-5 {source="NIST Chemistry WebBook"} xref: CAS:56-81-5 {source="ChemIDplus"} xref: Chemspider:733 xref: Codex:\:422 xref: Drug_Central:1316 {source="DrugCentral"} xref: DrugBank:DB04077 xref: ECMDB:ECMDB00131 xref: Europe:\:422 xref: FooDB:FDB000756 xref: Gmelin:26279 {source="Gmelin"} xref: HMDB:HMDB0000131 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3107 xref: KEGG:C00116 xref: KEGG:D00028 xref: KNApSAcK:C00001163 xref: LINCS:LSM-37180 xref: MetaCyc:GLYCEROL xref: PDB:2AJS xref: PDB:2D03 xref: PDBeChem:GOL xref: PMID:11302662 {source="Europe PMC"} xref: PMID:11958517 {source="Europe PMC"} xref: PMID:11994365 {source="Europe PMC"} xref: PMID:12672239 {source="ChEMBL"} xref: PMID:12687625 {source="Europe PMC"} xref: PMID:12689633 {source="Europe PMC"} xref: PMID:12713573 {source="Europe PMC"} xref: PMID:14559393 {source="Europe PMC"} xref: PMID:14563847 {source="Europe PMC"} xref: PMID:15026783 {source="Europe PMC"} xref: PMID:15342117 {source="Europe PMC"} xref: PMID:15786693 {source="Europe PMC"} xref: PMID:15983192 {source="Europe PMC"} xref: PMID:16244855 {source="Europe PMC"} xref: PMID:16258193 {source="Europe PMC"} xref: PMID:16319039 {source="Europe PMC"} xref: PMID:16349488 {source="Europe PMC"} xref: PMID:16475911 {source="Europe PMC"} xref: PMID:16651733 {source="Europe PMC"} xref: PMID:16664750 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:19184438 {source="Europe PMC"} xref: PMID:19231894 {source="Europe PMC"} xref: PMID:19460032 {source="Europe PMC"} xref: PMID:19548674 {source="Europe PMC"} xref: PMID:19795216 {source="Europe PMC"} xref: PMID:19956799 {source="Europe PMC"} xref: PMID:22705534 {source="Europe PMC"} xref: PMID:23562176 {source="Europe PMC"} xref: PMID:23747440 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24835191 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:558160 {source="Europe PMC"} xref: PMID:6299616 {source="Europe PMC"} xref: PMID:7031247 {source="ChEMBL"} xref: PMID:7392035 {source="ChEMBL"} xref: PPDB:1317 xref: Reaxys:635685 {source="Reaxys"} xref: UM-BBD_compID:c0066 {source="UM-BBD"} xref: Wikipedia:Glycerol xref: YMDB:YMDB00283 is_a: CHEBI:17522 ! alditol is_a: CHEBI:27136 ! triol is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:25728 ! osmolyte relationship: has_role CHEBI:27780 ! detergent relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PEDCQBHIVMGVHV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.09382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC(O)CO" xsd:string property_value: IAO:0000118 "glycerol" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17781 name: lumichrome namespace: chebi_ontology alt_id: CHEBI:14534 alt_id: CHEBI:25080 alt_id: CHEBI:43772 alt_id: CHEBI:6561 def: "A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution." [] subset: 3_STAR synonym: "7,8-Dimethylalloxazine" RELATED [KEGG_COMPOUND] synonym: "7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "LUMICHROME" EXACT [PDBeChem] synonym: "Lumichrome" EXACT [KEGG_COMPOUND] synonym: "lumichrome" EXACT [UniProt] xref: Beilstein:226631 {source="Beilstein"} xref: CAS:1086-80-2 {source="ChemIDplus"} xref: CAS:1086-80-2 {source="NIST Chemistry WebBook"} xref: CAS:1086-80-2 {source="KEGG COMPOUND"} xref: DrugBank:DB04345 xref: KEGG:C01727 xref: KNApSAcK:C00030694 xref: MetaCyc:CPD-605 xref: PDBeChem:LUM xref: PMID:15819908 {source="Europe PMC"} xref: PMID:21126007 {source="Europe PMC"} xref: PMID:22953948 {source="Europe PMC"} xref: PMID:24001807 {source="Europe PMC"} xref: PMID:24451190 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: Reaxys:226631 {source="Reaxys"} is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione relationship: has_functional_parent CHEBI:37325 ! alloxazine relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_tautomer_of CHEBI:37323 ! 7,8-dimethylisoalloxazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJTJUVIJVLLGSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.23356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C" xsd:string [Term] id: CHEBI:17790 name: methanol namespace: chebi_ontology alt_id: CHEBI:14588 alt_id: CHEBI:25227 alt_id: CHEBI:44080 alt_id: CHEBI:44553 alt_id: CHEBI:6816 def: "The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group." [] subset: 3_STAR synonym: "carbinol" RELATED [ChemIDplus] synonym: "CH3OH" RELATED [ChEBI] synonym: "MeOH" RELATED [ChEBI] synonym: "METHANOL" EXACT [PDBeChem] synonym: "Methanol" EXACT [KEGG_COMPOUND] synonym: "methanol" EXACT [UniProt] synonym: "methanol" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl alcohol" RELATED [KEGG_COMPOUND] synonym: "Methylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "spirit of wood" RELATED [HMDB] synonym: "wood alcohol" RELATED [ChemIDplus] synonym: "wood naphtha" RELATED [ChemIDplus] synonym: "wood spirit" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1098229 "Beilstein" xref: Beilstein:1098229 {source="Beilstein"} xref: CAS:67-56-1 "NIST Chemistry WebBook" xref: CAS:67-56-1 {source="KEGG COMPOUND"} xref: CAS:67-56-1 {source="NIST Chemistry WebBook"} xref: CAS:67-56-1 {source="ChemIDplus"} xref: Gmelin:449 "Gmelin" xref: Gmelin:449 {source="Gmelin"} xref: HMDB:HMDB0001875 xref: KEGG:C00132 xref: KEGG:D02309 xref: MetaCyc:METOH xref: PDBeChem:MOH xref: PMID:11141607 "Europe PMC" xref: PMID:11141607 {source="Europe PMC"} xref: PMID:11430978 "Europe PMC" xref: PMID:11430978 {source="Europe PMC"} xref: PMID:11489599 "Europe PMC" xref: PMID:11489599 {source="Europe PMC"} xref: PMID:11680737 "Europe PMC" xref: PMID:11680737 {source="Europe PMC"} xref: PMID:11684179 "Europe PMC" xref: PMID:11684179 {source="Europe PMC"} xref: PMID:14012711 "Europe PMC" xref: PMID:14012711 {source="Europe PMC"} xref: PMID:14678513 "Europe PMC" xref: PMID:14678513 {source="Europe PMC"} xref: PMID:14760634 "Europe PMC" xref: PMID:14760634 {source="Europe PMC"} xref: PMID:15172721 "Europe PMC" xref: PMID:15172721 {source="Europe PMC"} xref: PMID:15906011 "Europe PMC" xref: PMID:15906011 {source="Europe PMC"} xref: PMID:16705261 "Europe PMC" xref: PMID:16705261 {source="Europe PMC"} xref: PMID:17451998 "Europe PMC" xref: PMID:17451998 {source="Europe PMC"} xref: PMID:17733096 "Europe PMC" xref: PMID:17733096 {source="Europe PMC"} xref: PMID:19064074 "Europe PMC" xref: PMID:19064074 {source="Europe PMC"} xref: PMID:19850112 "Europe PMC" xref: PMID:19850112 {source="Europe PMC"} xref: PMID:20314698 "Europe PMC" xref: PMID:20314698 {source="Europe PMC"} xref: Reaxys:1098229 {source="Reaxys"} xref: Reaxys:1098229 "Reaxys" xref: UM-BBD_compID:c0132 {source="UM-BBD"} xref: UM-BBD_compID:c0132 "UM-BBD" xref: Wikipedia:Methanol is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:33292 ! fuel relationship: has_role CHEBI:48360 ! amphiprotic solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:52090 ! methoxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CO" xsd:string [Term] id: CHEBI:177917 name: phenolic steroid namespace: chebi_ontology subset: 2_STAR synonym: "a phenolic steroid" RELATED [UniProt] xref: KEGG:C02453 {source="SUBMITTER"} xref: MetaCyc:PHENOLIC-STEROID {source="SUBMITTER"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HJKVPZJVBHWFCQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.18272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C2C(CCC3C4CCCC4(CCC32)C)=CC(=C1)O" xsd:string [Term] id: CHEBI:17792 name: organohalogen compound namespace: chebi_ontology alt_id: CHEBI:13444 alt_id: CHEBI:36684 alt_id: CHEBI:8767 def: "A compound containing at least one carbon-halogen bond (where X is a halogen atom)." [] subset: 3_STAR synonym: "organic halide" RELATED [KEGG_COMPOUND] synonym: "organic halides" RELATED [ChEBI] synonym: "organohalogen compounds" RELATED [ChEBI] synonym: "RX" RELATED [UniProt] synonym: "RX" RELATED [KEGG_COMPOUND] xref: KEGG:C01322 xref: MetaCyc:Organohalogen-Compounds is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:37578 ! halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "RX" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "**" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17824 name: propan-2-ol namespace: chebi_ontology alt_id: CHEBI:14897 alt_id: CHEBI:26280 alt_id: CHEBI:43588 alt_id: CHEBI:8467 def: "A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group." [] subset: 3_STAR synonym: "1-methylethanol" RELATED [ChemIDplus] synonym: "1-methylethyl alcohol" RELATED [ChemIDplus] synonym: "2-hydroxypropane" RELATED [ChemIDplus] synonym: "2-Propanol" RELATED [KEGG_COMPOUND] synonym: "i-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "i-Propylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "IPA" RELATED [NIST_Chemistry_WebBook] synonym: "Isopropanol" RELATED [KEGG_COMPOUND] synonym: "ISOPROPYL ALCOHOL" RELATED [PDBeChem] synonym: "Isopropyl alcohol" RELATED [KEGG_COMPOUND] synonym: "isopropyl alcohol" RELATED [ChemIDplus] synonym: "Isopropylalkohol" RELATED [ChEBI] synonym: "Propan-2-ol" EXACT [KEGG_COMPOUND] synonym: "propan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "propan-2-ol" EXACT [UniProt] synonym: "sec-propanol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:635639 {source="Beilstein"} xref: CAS:67-63-0 {source="ChemIDplus"} xref: CAS:67-63-0 {source="KEGG COMPOUND"} xref: CAS:67-63-0 {source="NIST Chemistry WebBook"} xref: Drug_Central:4215 {source="DrugCentral"} xref: DrugBank:DB04402 xref: Gmelin:1464 {source="Gmelin"} xref: HMDB:HMDB0000863 xref: KEGG:C01845 xref: KEGG:D00137 xref: KNApSAcK:C00048438 xref: MetaCyc:ISO-PROPANOL xref: PDBeChem:IPA xref: PMID:24524727 {source="Europe PMC"} xref: PMID:24653974 {source="Europe PMC"} xref: Reaxys:635639 {source="Reaxys"} xref: UM-BBD_compID:c0519 {source="UM-BBD"} xref: Wikipedia:Isopropyl_Alcohol xref: YMDB:YMDB01718 is_a: CHEBI:167095 ! secondary fatty alcohol is_a: CHEBI:35681 ! secondary alcohol relationship: has_role CHEBI:48356 ! protic solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KFZMGEQAYNKOFK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)O" xsd:string [Term] id: CHEBI:1784 name: biphenyl-4-amine namespace: chebi_ontology def: "An aminobiphenyl that is biphenyl substituted by an amino group at position 4." [] subset: 3_STAR synonym: "4-amino-1,1'-biphenyl" RELATED [ChemIDplus] synonym: "4-Aminobiphenyl" RELATED [KEGG_COMPOUND] synonym: "4-aminodiphenyl" RELATED [ChemIDplus] synonym: "4-biphenylamine" RELATED [ChemIDplus] synonym: "[1,1'-biphenyl]-4-amine" EXACT IUPAC_NAME [IUPAC] synonym: "biphenyl-4-ylamine" RELATED [NIST_Chemistry_WebBook] synonym: "p-aminodiphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "p-biphenylamine" RELATED [ChemIDplus] synonym: "p-phenylaniline" RELATED [NIST_Chemistry_WebBook] synonym: "p-xenylamine" RELATED [ChemIDplus] synonym: "paraaminodiphenyl" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:386533 {source="Beilstein"} xref: CAS:92-67-1 {source="NIST Chemistry WebBook"} xref: CAS:92-67-1 {source="ChemIDplus"} xref: CAS:92-67-1 {source="KEGG COMPOUND"} xref: Gmelin:365629 {source="Gmelin"} xref: HMDB:HMDB0013195 xref: KEGG:C10998 xref: PMID:12778203 {source="Europe PMC"} xref: PMID:15880493 {source="Europe PMC"} xref: PMID:20433335 {source="Europe PMC"} xref: PMID:841184 {source="Europe PMC"} xref: PMID:8847111 {source="Europe PMC"} xref: Reaxys:386533 {source="Reaxys"} xref: Wikipedia:4-Aminobiphenyl is_a: CHEBI:22496 ! aminobiphenyl relationship: has_parent_hydride CHEBI:17097 ! biphenyl relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMVOXQPQNTYEKQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.22248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)-c1ccccc1" xsd:string [Term] id: CHEBI:17847 name: p-cresol namespace: chebi_ontology alt_id: CHEBI:11981 alt_id: CHEBI:1816 alt_id: CHEBI:20352 alt_id: CHEBI:44726 def: "A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals." [] subset: 3_STAR synonym: "1-hydroxy-4-methylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "4-Cresol" RELATED [KEGG_COMPOUND] synonym: "4-Hydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "4-Methylphenol" RELATED [KEGG_COMPOUND] synonym: "4-methylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-methylphenol" RELATED [UniProt] synonym: "P-CRESOL" EXACT [PDBeChem] synonym: "p-Cresol" EXACT [KEGG_COMPOUND] synonym: "p-Kresol" RELATED [NIST_Chemistry_WebBook] synonym: "p-methylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "p-tolyl alcohol" RELATED [ChemIDplus] synonym: "paracresol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1305151 {source="Beilstein"} xref: CAS:106-44-5 {source="ChemIDplus"} xref: CAS:106-44-5 {source="KEGG COMPOUND"} xref: CAS:106-44-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB01688 xref: Gmelin:2779 {source="Gmelin"} xref: HMDB:HMDB0001858 xref: KEGG:C01468 xref: KNApSAcK:C00002645 xref: MetaCyc:CPD-108 xref: PDBeChem:PCR xref: PMID:12427124 {source="Europe PMC"} xref: PMID:17660685 {source="Europe PMC"} xref: Reaxys:1305151 {source="Reaxys"} xref: UM-BBD_compID:c0127 {source="UM-BBD"} xref: Wikipedia:P-cresol is_a: CHEBI:25399 ! cresol relationship: has_role CHEBI:64584 ! uremic toxin relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IWDCLRJOBJJRNH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.13782" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(O)cc1" xsd:string [Term] id: CHEBI:17854 name: cyclohexanone namespace: chebi_ontology alt_id: CHEBI:14052 alt_id: CHEBI:23481 alt_id: CHEBI:4014 alt_id: CHEBI:41770 def: "A cyclic ketone that consists of cyclohexane bearing a single oxo substituent." [] subset: 3_STAR synonym: "CYCLOHEXANONE" EXACT [PDBeChem] synonym: "Cyclohexanone" EXACT [KEGG_COMPOUND] synonym: "cyclohexanone" EXACT [UniProt] synonym: "cyclohexanone" EXACT IUPAC_NAME [IUPAC] synonym: "Cyclohexyl ketone" RELATED [ChemIDplus] synonym: "Ketocyclohexane" RELATED [HMDB] synonym: "Ketohexamethylene" RELATED [ChemIDplus] synonym: "Oxocyclohexane" RELATED [HMDB] xref: CAS:108-94-1 {source="KEGG COMPOUND"} xref: CAS:108-94-1 {source="ChemIDplus"} xref: CAS:108-94-1 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02060 xref: HMDB:HMDB0003315 xref: KEGG:C00414 xref: MetaCyc:CYCLOHEXANONE xref: Patent:GB310055 xref: Patent:US2223493 xref: Patent:US2223494 xref: Patent:US2285914 xref: PDBeChem:CYH xref: PMID:20928898 {source="Europe PMC"} xref: PMID:21556397 {source="Europe PMC"} xref: PMID:21647476 {source="Europe PMC"} xref: PMID:21766129 {source="Europe PMC"} xref: PMID:7814101 {source="Europe PMC"} xref: PPDB:1308 xref: Reaxys:385735 {source="Reaxys"} xref: UM-BBD_compID:c0195 {source="UM-BBD"} xref: Wikipedia:Cyclohexanone is_a: CHEBI:23482 ! cyclohexanones relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHIVVAPYMSGYDF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.14300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CCCCC1" xsd:string [Term] id: CHEBI:17855 name: triglyceride namespace: chebi_ontology alt_id: CHEBI:15255 alt_id: CHEBI:27085 alt_id: CHEBI:9664 def: "Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." [] subset: 3_STAR synonym: "a triacylglycerol" RELATED [UniProt] synonym: "Triacylglycerol" RELATED [KEGG_COMPOUND] synonym: "triacylglycerols" RELATED [LIPID_MAPS] synonym: "Triglycerid" RELATED [ChEBI] synonym: "Triglyceride" EXACT [KEGG_COMPOUND] synonym: "triglycerides" EXACT IUPAC_NAME [IUPAC] synonym: "triglycerides" RELATED [ChEBI] synonym: "Triglyzerid" RELATED [ChEBI] xref: KEGG:C00422 xref: LIPID_MAPS_class:LMGL0301 {source="LIPID MAPS"} xref: PMID:2474544 {source="Europe PMC"} is_a: CHEBI:47778 ! glyceride is_a: CHEBI:76579 ! triradylglycerol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O6R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.10030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.00861" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)OCC(COC([*])=O)OC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17865 name: 4-methyl-2-oxopentanoate namespace: chebi_ontology alt_id: CHEBI:12020 alt_id: CHEBI:20438 def: "A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid." [] subset: 3_STAR synonym: "2-Oxoisocaproate" RELATED [KEGG_COMPOUND] synonym: "4-methyl-2-oxopentanoate" EXACT [UniProt] synonym: "4-methyl-2-oxopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-ketoisocaproate" RELATED [ChEBI] xref: Beilstein:3904096 {source="Beilstein"} xref: KEGG:C00233 xref: Reaxys:3904096 {source="Reaxys"} is_a: CHEBI:191201 ! branched-chain keto acid anion is_a: CHEBI:35179 ! 2-oxo monocarboxylic acid anion relationship: has_functional_parent CHEBI:31011 ! valerate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:48430 ! 4-methyl-2-oxopentanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKAJNAXTPSGJCU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.13386" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.05572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(=O)C([O-])=O" xsd:string [Term] id: CHEBI:17879 name: 4-hydroxybenzoate namespace: chebi_ontology alt_id: CHEBI:12003 alt_id: CHEBI:20397 def: "The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1." [] subset: 3_STAR synonym: "4-hydroxybenzoate" EXACT [UniProt] synonym: "4-hydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-hydroxybenzoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "p-hydroxybenzoate" RELATED [ChemIDplus] xref: Beilstein:3589159 {source="Beilstein"} xref: CAS:456-23-5 {source="ChemIDplus"} xref: Gmelin:326508 {source="Gmelin"} xref: KEGG:C00156 xref: Reaxys:3589159 {source="Reaxys"} xref: UM-BBD_compID:c0104 {source="UM-BBD"} is_a: CHEBI:25388 ! monohydroxybenzoate relationship: has_functional_parent CHEBI:16150 ! benzoate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:30763 ! 4-hydroxybenzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FJKROLUGYXJWQN-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C([O-])=O" xsd:string [Term] id: CHEBI:17883 name: hydrogen chloride namespace: chebi_ontology alt_id: CHEBI:13364 alt_id: CHEBI:24635 alt_id: CHEBI:5590 def: "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator. subset: 3_STAR synonym: "[HCl]" RELATED [IUPAC] synonym: "chlorane" EXACT IUPAC_NAME [IUPAC] synonym: "chloridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "chlorure d'hydrogene" RELATED [ChEBI] synonym: "Chlorwasserstoff" RELATED [ChEBI] synonym: "cloruro de hidrogeno" RELATED [ChEBI] synonym: "HCl" RELATED [KEGG_COMPOUND] synonym: "hydrochloric acid" RELATED [ChemIDplus] synonym: "Hydrochloride" RELATED [KEGG_COMPOUND] synonym: "Hydrogen chloride" EXACT [KEGG_COMPOUND] synonym: "hydrogen chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenchlorid" RELATED [ChEBI] synonym: "Wasserstoffchlorid" RELATED [ChEBI] xref: CAS:7647-01-0 {source="NIST Chemistry WebBook"} xref: CAS:7647-01-0 {source="KEGG COMPOUND"} xref: CAS:7647-01-0 {source="ChemIDplus"} xref: Codex:\:507 xref: Drug_Central:4568 {source="DrugCentral"} xref: Europe:\:507 xref: Gmelin:322 {source="Gmelin"} xref: HMDB:HMDB0002306 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3117 xref: KEGG:C01327 xref: KEGG:D02057 xref: MetaCyc:HCL xref: PMID:15823700 {source="Europe PMC"} xref: PMID:17492841 {source="Europe PMC"} xref: PMID:22804993 {source="Europe PMC"} xref: Reaxys:1098214 {source="Reaxys"} xref: Wikipedia:HCl xref: Wikipedia:Hydrochloric_acid is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:17996 ! chloride is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:17996 ! chloride relationship: is_conjugate_base_of CHEBI:50315 ! chloronium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HCl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "36.46064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "35.97668" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[H]" xsd:string property_value: IAO:0000118 "hydrochloric acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17891 name: donor namespace: chebi_ontology alt_id: CHEBI:14202 alt_id: CHEBI:4697 def: "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity." [] subset: 3_STAR synonym: "Donator" RELATED [ChEBI] synonym: "donneur" RELATED [ChEBI] synonym: "Donor" EXACT [KEGG_COMPOUND] xref: KEGG:C01351 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:17893 name: (2R)-2-hydroxy monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:10973 alt_id: CHEBI:18649 alt_id: CHEBI:309 def: "A 2-hydroxy monocarboxylic acid having (2R)-configuration." [] subset: 3_STAR synonym: "(2R)-2-hydroxy monocarboxylic acids" RELATED [ChEBI] synonym: "(2R)-Hydroxy-carboxylate" RELATED [KEGG_COMPOUND] synonym: "(R)-2-Hydroxyacid" RELATED [KEGG_COMPOUND] synonym: "(R)-2-Hydroxycarboxylic acid" RELATED [KEGG_COMPOUND] xref: KEGG:C02489 xref: KEGG:C15487 is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion relationship: is_enantiomer_of CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.04340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.00822" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:17895 name: L-tyrosine namespace: chebi_ontology alt_id: CHEBI:13181 alt_id: CHEBI:21411 alt_id: CHEBI:46070 alt_id: CHEBI:46161 alt_id: CHEBI:6313 def: "An optically active form of tyrosine having L-configuration." [] subset: 3_STAR synonym: "(-)-alpha-amino-p-hydroxyhydrocinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "(S)-(-)-Tyrosine" RELATED [HMDB] synonym: "(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "(S)-3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "(S)-alpha-amino-4-hydroxybenzenepropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-Tyrosine" RELATED [HMDB] synonym: "4-hydroxy-L-phenylalanine" RELATED [NIST_Chemistry_WebBook] synonym: "L-Tyrosin" RELATED [ChEBI] synonym: "L-Tyrosine" EXACT [KEGG_COMPOUND] synonym: "L-tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "Tyr" RELATED [ChEBI] synonym: "TYROSINE" RELATED [PDBeChem] synonym: "Tyrosine" RELATED [KEGG_COMPOUND] synonym: "Y" RELATED [ChEBI] xref: Beilstein:392441 {source="Beilstein"} xref: CAS:60-18-4 {source="ChemIDplus"} xref: CAS:60-18-4 {source="NIST Chemistry WebBook"} xref: CAS:60-18-4 {source="KEGG COMPOUND"} xref: Drug_Central:2786 {source="DrugCentral"} xref: DrugBank:DB00135 xref: ECMDB:ECMDB00158 xref: Gmelin:50929 {source="Gmelin"} xref: HMDB:HMDB0000158 xref: KEGG:C00082 xref: KEGG:D00022 xref: KNApSAcK:C00001397 xref: MetaCyc:TYR xref: PDBeChem:TYR xref: PMID:15171683 {source="Europe PMC"} xref: PMID:22360849 {source="Europe PMC"} xref: PMID:22402312 {source="Europe PMC"} xref: Reaxys:392441 {source="Reaxys"} xref: UM-BBD_compID:c0234 {source="UM-BBD"} xref: Wikipedia:Tyrosine xref: YMDB:YMDB00364 is_a: CHEBI:18186 ! tyrosine is_a: CHEBI:73690 ! erythrose 4-phosphate/phosphoenolpyruvate family amino acid relationship: has_functional_parent CHEBI:46209 ! L-tyrosinal relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:64416 ! EC 1.3.1.43 (arogenate dehydrogenase) inhibitor relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32760 ! L-tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32762 ! L-tyrosinium relationship: is_enantiomer_of CHEBI:28479 ! D-tyrosine relationship: is_tautomer_of CHEBI:58315 ! L-tyrosine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:17898 name: all-trans-retinal name: all-trans-retinal namespace: chebi_ontology alt_id: CHEBI:12776 alt_id: CHEBI:22348 alt_id: CHEBI:8814 def: "A retinal in which all four exocyclic double bonds have E- (trans-) geometry." [] subset: 3_STAR synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal" EXACT [] synonym: "all-E-retinal" RELATED [] synonym: "all-trans-retinal" EXACT [] synonym: "all-trans-retinaldehyde" RELATED [] synonym: "all-trans-retinene" RELATED [] synonym: "all-trans-vitamin A aldehyde" RELATED [] synonym: "axerophthal" RELATED [] synonym: "E-retinal" RELATED [] synonym: "retinal" RELATED [] synonym: "retinaldehyde" RELATED [] synonym: "retinene" RELATED [] synonym: "retinene 1" RELATED [] synonym: "retinyl aldehyde" RELATED [] synonym: "trans-retinal" RELATED [] synonym: "trans-vitamin A aldehyde" RELATED [] synonym: "vitamin A aldehyde" RELATED [] synonym: "vitamin A1 aldehyde" RELATED [] xref: CAS:116-31-4 xref: Chemspider:553582 xref: FooDB:FDB030668 xref: HMDB:HMDB0001358 xref: KEGG:C00376 xref: LIPID_MAPS_instance:LMPR01090002 xref: MetaCyc:RETINAL xref: PDBeChem:RET xref: PMID:12168520 xref: PMID:15500295 xref: PMID:15686550 xref: PMID:15724104 xref: PMID:16004575 xref: PMID:16054134 xref: PMID:16128572 xref: PMID:17326003 xref: PMID:21447403 xref: PMID:21995425 xref: PMID:22162152 xref: PMID:22198730 xref: PMID:22220722 xref: PMID:22417174 xref: PMID:22428905 xref: PMID:22431612 xref: PMID:22515697 xref: PMID:22529810 xref: PMID:22559266 xref: PMID:22621924 xref: PMID:22841964 xref: PMID:22879987 xref: PMID:26568132 xref: PMID:28780307 xref: PMID:31931077 xref: PMID:32212312 xref: PMID:32371567 xref: PMID:32492112 xref: PMID:33034385 xref: PMID:33334878 xref: Reaxys:1914183 xref: Wikipedia:Retinal is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCYCYZXNIZJOKI-OVSJKPMPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.21402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17907 name: styrene oxide namespace: chebi_ontology alt_id: CHEBI:15124 alt_id: CHEBI:26798 alt_id: CHEBI:9298 def: "An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group." [] subset: 3_STAR synonym: "(epoxyethyl)benzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-epoxy-1-phenylethane" RELATED [ChemIDplus] synonym: "1,2-epoxyethylbenzene" RELATED [ChemIDplus] synonym: "1-phenyl-1,2-epoxyethane" RELATED [ChemIDplus] synonym: "1-phenyloxirane" RELATED [ChemIDplus] synonym: "2-phenyloxirane" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,beta-epoxystyrene" RELATED [NIST_Chemistry_WebBook] synonym: "epoxyethylbenzene" RELATED [ChemIDplus] synonym: "epoxystyrene" RELATED [ChemIDplus] synonym: "phenethylene oxide" RELATED [ChemIDplus] synonym: "phenyl oxirane" RELATED [ChemIDplus] synonym: "phenylethylene oxide" RELATED [ChemIDplus] synonym: "phenyloxirane" RELATED [ChemIDplus] synonym: "styrene 7,8-oxide" RELATED [NIST_Chemistry_WebBook] synonym: "styrene epoxide" RELATED [ChemIDplus] synonym: "Styrene oxide" EXACT [KEGG_COMPOUND] synonym: "styrene oxide" EXACT [UniProt] synonym: "Styrene-7,8-oxide" RELATED [KEGG_COMPOUND] synonym: "styrene-7,8-oxide" RELATED [ChemIDplus] synonym: "styryl oxide" RELATED [ChemIDplus] xref: Beilstein:108582 {source="Beilstein"} xref: CAS:96-09-3 {source="KEGG COMPOUND"} xref: CAS:96-09-3 {source="ChemIDplus"} xref: CAS:96-09-3 {source="NIST Chemistry WebBook"} xref: Gmelin:50213 {source="Gmelin"} xref: KEGG:C02083 xref: MetaCyc:2-Phenyloxirane xref: PMID:11551533 {source="Europe PMC"} xref: PMID:19245253 {source="Europe PMC"} xref: PMID:24320693 {source="Europe PMC"} xref: Reaxys:108582 {source="Reaxys"} xref: UM-BBD_compID:c0037 {source="UM-BBD"} xref: Wikipedia:Styrene_oxide is_a: CHEBI:32955 ! epoxide relationship: has_parent_hydride CHEBI:27452 ! styrene relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWMVMTVKBNGEAK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.14852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1OC1c1ccccc1" xsd:string [Term] id: CHEBI:17963 name: 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine namespace: chebi_ontology alt_id: CHEBI:11263 alt_id: CHEBI:19059 alt_id: CHEBI:639 def: "A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4." [] subset: 3_STAR synonym: "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine" EXACT [KEGG_COMPOUND] synonym: "1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine" EXACT IUPAC_NAME [IUPAC] synonym: "MPTP" RELATED [KEGG_COMPOUND] xref: CAS:28289-54-5 {source="ChemIDplus"} xref: CAS:28289-54-5 {source="KEGG COMPOUND"} xref: KEGG:C04599 xref: PMID:21798732 {source="Europe PMC"} xref: PMID:21830164 {source="Europe PMC"} xref: PMID:22393538 {source="Europe PMC"} xref: PMID:23296790 {source="Europe PMC"} xref: Reaxys:133712 {source="Reaxys"} xref: Wikipedia:MPTP is_a: CHEBI:25340 ! methylpyridines is_a: CHEBI:26921 ! tetrahydropyridine is_a: CHEBI:38193 ! phenylpyridine relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H15N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PLRACCBDVIHHLZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.25424" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.12045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1CCC(=CC1)c1ccccc1" xsd:string [Term] id: CHEBI:17967 name: urethane namespace: chebi_ontology alt_id: CHEBI:15295 alt_id: CHEBI:27225 alt_id: CHEBI:9892 def: "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages." [] subset: 3_STAR synonym: "carbamic acid ethyl ester" RELATED [ChEBI] synonym: "Ethyl carbamate" RELATED [KEGG_COMPOUND] synonym: "ethyl carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Urethane" EXACT [KEGG_COMPOUND] synonym: "urethane" EXACT [UniProt] xref: CAS:51-79-6 {source="KEGG COMPOUND"} xref: DrugBank:DB04827 xref: HMDB:HMDB0031219 xref: KEGG:C01537 xref: LINCS:LSM-37020 xref: PMID:15790490 {source="Europe PMC"} xref: PMID:24386880 {source="Europe PMC"} xref: Reaxys:635810 {source="Reaxys"} xref: Wikipedia:Ethyl_carbamate is_a: CHEBI:23003 ! carbamate ester relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:76946 ! fungal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JOYRKODLDBILNP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(N)=O" xsd:string [Term] id: CHEBI:17968 name: butyrate namespace: chebi_ontology alt_id: CHEBI:13924 alt_id: CHEBI:22946 def: "A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "1-butanoate" RELATED [ChEBI] synonym: "1-butyrate" RELATED [ChEBI] synonym: "1-propanecarboxylate" RELATED [ChEBI] synonym: "butanate" RELATED [ChEBI] synonym: "butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "butanoate" RELATED [ChEBI] synonym: "butanoate" RELATED [UniProt] synonym: "butanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "butyrate" EXACT [IUPAC] synonym: "CH3-[CH2]2-COO(-)" RELATED [IUPAC] synonym: "n-butanoate" RELATED [ChEBI] synonym: "n-butyrate" RELATED [ChemIDplus] synonym: "propanecarboxylate" RELATED [ChEBI] synonym: "propylformate" RELATED [ChEBI] xref: Beilstein:3601060 {source="Beilstein"} xref: CAS:461-55-2 {source="ChemIDplus"} xref: Gmelin:324289 {source="Gmelin"} xref: KEGG:C00246 xref: MetaCyc:BUTYRIC_ACID xref: PMID:17190852 {source="Europe PMC"} xref: PMID:7496326 {source="Europe PMC"} xref: Reaxys:3601060 {source="Reaxys"} xref: UM-BBD_compID:c0035 {source="UM-BBD"} is_a: CHEBI:78115 ! fatty acid anion 4:0 relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30772 ! butyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FERIUCNNQQJTOY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.09718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC([O-])=O" xsd:string [Term] id: CHEBI:17972 name: ribonucleoside triphosphate namespace: chebi_ontology alt_id: CHEBI:15047 alt_id: CHEBI:26559 alt_id: CHEBI:8846 subset: 3_STAR synonym: "Ribonucleoside triphosphate" EXACT [KEGG_COMPOUND] synonym: "ribonucleoside triphosphates" RELATED [ChEBI] xref: KEGG:C03802 is_a: CHEBI:17326 ! nucleoside 5'-triphoshate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O13P3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "373.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.94908" xsd:string [Term] id: CHEBI:17992 name: sucrose namespace: chebi_ontology alt_id: CHEBI:15128 alt_id: CHEBI:26812 alt_id: CHEBI:45795 alt_id: CHEBI:9314 def: "A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose." [] comment: LanguaL term definition: Used when sucrose (e.g., cane sugar or beet sugar) is the major ingredient. Note: on a product label or in a recipe, 'sugar' means sucrose. subset: 3_STAR subset: subset_siren synonym: "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside" RELATED [KEGG_COMPOUND] synonym: "beta-D-fructofuranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Fruf-(2<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "Cane sugar" RELATED [KEGG_COMPOUND] synonym: "sacarosa" RELATED [ChEBI] synonym: "Saccharose" RELATED [KEGG_COMPOUND] synonym: "Sacharose" RELATED [ChEBI] synonym: "SUCROSE" EXACT [PDBeChem] synonym: "Sucrose" EXACT [KEGG_COMPOUND] synonym: "sucrose" EXACT [UniProt] synonym: "table sugar" RELATED [ChemIDplus] synonym: "White sugar" RELATED [HMDB] xref: Beilstein:90825 {source="Beilstein"} xref: CAS:57-50-1 {source="KEGG COMPOUND"} xref: CAS:57-50-1 {source="ChemIDplus"} xref: CAS:57-50-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:4610 {source="DrugCentral"} xref: DrugBank:DB02772 xref: Gmelin:97695 {source="Gmelin"} xref: HMDB:HMDB0000258 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0210 xref: http://www.langual.org/langual_thesaurus.asp?termid=H0136 xref: http://www.langual.org/langual_thesaurus.asp?termid=H0158 xref: KEGG:C00089 xref: KEGG:D00025 xref: KEGG:D06533 xref: KEGG:G00370 xref: KNApSAcK:C00001151 xref: MetaCyc:SUCROSE xref: PDBeChem:SUC xref: PMID:11021636 {source="Europe PMC"} xref: PMID:11093712 {source="Europe PMC"} xref: PMID:11111003 {source="Europe PMC"} xref: PMID:12065720 {source="Europe PMC"} xref: PMID:12706980 {source="Europe PMC"} xref: PMID:13508893 {source="Europe PMC"} xref: PMID:15291457 {source="Europe PMC"} xref: PMID:15660210 {source="Europe PMC"} xref: PMID:15792978 {source="Europe PMC"} xref: PMID:15845855 {source="Europe PMC"} xref: PMID:16228482 {source="Europe PMC"} xref: PMID:16304615 {source="Europe PMC"} xref: PMID:16313996 {source="Europe PMC"} xref: PMID:16525719 {source="Europe PMC"} xref: PMID:16660545 {source="Europe PMC"} xref: PMID:16663947 {source="Europe PMC"} xref: PMID:16665852 {source="Europe PMC"} xref: PMID:17233733 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17597061 {source="Europe PMC"} xref: PMID:18625236 {source="Europe PMC"} xref: PMID:19199566 {source="Europe PMC"} xref: PMID:19726178 {source="Europe PMC"} xref: PMID:21703290 {source="Europe PMC"} xref: PMID:21972845 {source="Europe PMC"} xref: PMID:22085755 {source="Europe PMC"} xref: PMID:22311778 {source="Europe PMC"} xref: PMID:22404833 {source="Europe PMC"} xref: PMID:22751876 {source="Europe PMC"} xref: Reaxys:1435311 {source="Reaxys"} xref: Reaxys:90825 {source="Reaxys"} xref: SUBSET_SIREN:F15176 xref: Wikipedia:Sucrose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:24407 ! glycosyl glycoside is_a: FOODON:03420108 ! sugar relationship: has_role CHEBI:25728 ! osmolyte relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZMRCDWAGMRECN-UGDNZRGBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:17996 name: chloride namespace: chebi_ontology alt_id: CHEBI:13291 alt_id: CHEBI:13970 alt_id: CHEBI:3616 alt_id: CHEBI:3731 alt_id: CHEBI:48804 def: "A halide anion formed when chlorine picks up an electron to form an an anion." [] subset: 3_STAR synonym: "Chloride" EXACT [KEGG_COMPOUND] synonym: "chloride" EXACT [UniProt] synonym: "chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CHLORIDE ION" RELATED [PDBeChem] synonym: "Chloride ion" RELATED [KEGG_COMPOUND] synonym: "Chloride(1-)" RELATED [ChemIDplus] synonym: "chloride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorine anion" RELATED [NIST_Chemistry_WebBook] synonym: "Cl(-)" RELATED [IUPAC] synonym: "Cl-" RELATED [KEGG_COMPOUND] xref: Beilstein:3587171 {source="Beilstein"} xref: CAS:16887-00-6 {source="ChemIDplus"} xref: CAS:16887-00-6 {source="NIST Chemistry WebBook"} xref: CAS:16887-00-6 {source="KEGG COMPOUND"} xref: Gmelin:14910 {source="Gmelin"} xref: KEGG:C00115 xref: KEGG:C00698 xref: PDBeChem:CL xref: UM-BBD_compID:c0884 {source="UM-BBD"} is_a: CDNO:0000016 ! dietary chlorine is_a: CHEBI:16042 ! halide anion is_a: CHEBI:33432 ! monoatomic chlorine relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17883 ! hydrogen chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.45270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:17997 name: dinitrogen is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:25362 ! elemental molecule is_a: CHEBI:33266 ! diatomic nitrogen [Term] id: CHEBI:18019 name: L-lysine namespace: chebi_ontology alt_id: CHEBI:13135 alt_id: CHEBI:21351 alt_id: CHEBI:43950 alt_id: CHEBI:6264 def: "An L-alpha-amino acid; the L-isomer of lysine." [] subset: 3_STAR synonym: "(2S)-2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2,6-diaminohexanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-alpha,epsilon-diaminocaproic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-lysine" RELATED [NIST_Chemistry_WebBook] synonym: "6-ammonio-L-norleucine" RELATED [PDBeChem] synonym: "K" RELATED [NIST_Chemistry_WebBook] synonym: "L-2,6-Diaminocaproic acid" RELATED [HMDB] synonym: "L-Lysin" RELATED [ChEBI] synonym: "L-Lysine" EXACT [KEGG_COMPOUND] synonym: "L-lysine" EXACT IUPAC_NAME [IUPAC] synonym: "Lys" RELATED [NIST_Chemistry_WebBook] synonym: "lysina" RELATED INN [WHO_MedNet] synonym: "lysine" RELATED INN [WHO_MedNet] synonym: "Lysine acid" RELATED [KEGG_COMPOUND] synonym: "lysinum" RELATED INN [WHO_MedNet] xref: Beilstein:1722531 {source="Beilstein"} xref: CAS:56-87-1 {source="ChemIDplus"} xref: CAS:56-87-1 {source="NIST Chemistry WebBook"} xref: CAS:56-87-1 {source="KEGG COMPOUND"} xref: Drug_Central:1622 {source="DrugCentral"} xref: DrugBank:DB00123 xref: ECMDB:ECMDB00182 xref: Gmelin:364182 {source="Gmelin"} xref: HMDB:HMDB0000182 xref: KEGG:C00047 xref: KEGG:D02304 xref: KNApSAcK:C00001378 xref: MetaCyc:LYS xref: PMID:10930630 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17051348 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:22019452 {source="Europe PMC"} xref: PMID:22064742 {source="Europe PMC"} xref: PMID:22575419 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:23167968 {source="Europe PMC"} xref: PMID:23325920 {source="Europe PMC"} xref: PMID:23722415 {source="Europe PMC"} xref: PMID:24064214 {source="Europe PMC"} xref: PMID:24831709 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: PMID:8587651 {source="Europe PMC"} xref: Reaxys:1722531 {source="Reaxys"} xref: Wikipedia:Lysine xref: YMDB:YMDB00330 is_a: CHEBI:22658 ! aspartate family amino acid is_a: CHEBI:25094 ! lysine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32550 ! L-lysinate relationship: is_conjugate_base_of CHEBI:32551 ! L-lysinium(1+) relationship: is_enantiomer_of CHEBI:16855 ! D-lysine relationship: is_tautomer_of CHEBI:133538 ! L-lysine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-YFKPBYRVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.18764" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:18022 name: thiocyanate namespace: chebi_ontology alt_id: CHEBI:15234 alt_id: CHEBI:24926 alt_id: CHEBI:26954 alt_id: CHEBI:45576 def: "A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid." [] subset: 3_STAR synonym: "[S-C#N](-)" RELATED [ChEBI] synonym: "N#C-S(-)" RELATED [ChEBI] synonym: "NCS-" RELATED [NIST_Chemistry_WebBook] synonym: "nitridosulfidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "nitridothiocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "nitridothiocarbonate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "Rhodanid" RELATED [ChEBI] synonym: "rhodanide" RELATED [ChEBI] synonym: "SCN(-)" RELATED [IUPAC] synonym: "thiocyanate" EXACT [IUPAC] synonym: "thiocyanate" EXACT [UniProt] synonym: "THIOCYANATE ION" RELATED [PDBeChem] synonym: "thiocyanate ion (1-)" RELATED [ChemIDplus] synonym: "Thiozyanat" RELATED [ChEBI] xref: Beilstein:1901207 {source="Beilstein"} xref: CAS:302-04-5 {source="NIST Chemistry WebBook"} xref: CAS:302-04-5 {source="ChemIDplus"} xref: CAS:302-04-5 {source="KEGG COMPOUND"} xref: Gmelin:1089 {source="Gmelin"} xref: PDBeChem:SCN xref: UM-BBD_compID:c0560 {source="UM-BBD"} is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:24928 ! isothiocyanic acid relationship: is_conjugate_base_of CHEBI:29200 ! thiocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNS/c2-1-3/h3H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMZDMBWJUHKJPS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.08344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.97569" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S-]C#N" xsd:string [Term] id: CHEBI:18044 name: dialkyl ketone namespace: chebi_ontology alt_id: CHEBI:14136 alt_id: CHEBI:23663 alt_id: CHEBI:4485 subset: 3_STAR synonym: "Dialkyl ketone" EXACT [KEGG_COMPOUND] synonym: "dialkyl ketone" EXACT [UniProt] synonym: "dialkyl ketones" RELATED [ChEBI] xref: KEGG:C02146 is_a: CHEBI:17087 ! ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C([*])=O" xsd:string [Term] id: CHEBI:180482 name: 1,2,4-triazole-3-carboxamide namespace: chebi_ontology def: "A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin." [] subset: 3_STAR synonym: "1H-1,2,4-triazole-3-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "3-(aminocarbonyl)-1H-1,2,4-triazole" RELATED [ChEBI] synonym: "3-carbamoyl-1H-1,2,4-triazole" RELATED [ChEBI] xref: CAS:3641-08-5 {source="ChemIDplus"} xref: Chemspider:58634 xref: HMDB:HMDB0244869 xref: PMID:1368697 {source="Europe PMC"} xref: PMID:1368721 {source="Europe PMC"} xref: PMID:17845853 {source="Europe PMC"} xref: PMID:21202621 {source="Europe PMC"} xref: PMID:212973 {source="Europe PMC"} xref: PMID:2737800 {source="SUBMITTER"} xref: PMID:6660848 {source="Europe PMC"} xref: Reaxys:775120 {source="Reaxys"} is_a: CHEBI:140324 ! primary carboxamide is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35727 ! triazoles is_a: CHEBI:62733 ! aromatic amide relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZEWJFUNFEABPGL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.092" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.03851" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)C1=NNC=N1" xsd:string [Term] id: CHEBI:18049 name: piperidine namespace: chebi_ontology alt_id: CHEBI:14841 alt_id: CHEBI:26146 alt_id: CHEBI:45123 alt_id: CHEBI:8238 def: "An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine." [] subset: 3_STAR synonym: "Azacyclohexane" RELATED [KEGG_COMPOUND] synonym: "azinane" RELATED [ChEBI] synonym: "cyclopentimine" RELATED [NIST_Chemistry_WebBook] synonym: "cypentil" RELATED [ChemIDplus] synonym: "Hexahydropyridine" RELATED [KEGG_COMPOUND] synonym: "hexazane" RELATED [ChemIDplus] synonym: "pentamethyleneamine" RELATED [NIST_Chemistry_WebBook] synonym: "pentamethyleneimine" RELATED [NIST_Chemistry_WebBook] synonym: "pentamethylenimine" RELATED [NIST_Chemistry_WebBook] synonym: "perhydropyridine" RELATED [ChemIDplus] synonym: "pip" RELATED [IUPAC] synonym: "Piperidin" RELATED [ChemIDplus] synonym: "Piperidine" EXACT [KEGG_COMPOUND] synonym: "piperidine" EXACT IUPAC_NAME [IUPAC] xref: CAS:110-89-4 {source="NIST Chemistry WebBook"} xref: CAS:110-89-4 {source="ChemIDplus"} xref: Chemspider:7791 xref: FooDB:FDB012644 xref: HMDB:HMDB0034301 xref: KEGG:C01746 xref: KNApSAcK:C00051876 xref: MetaCyc:PIPERIDINE xref: PDBeChem:PIP xref: PMID:12355363 {source="Europe PMC"} xref: PMID:15017096 {source="Europe PMC"} xref: PMID:15412 {source="Europe PMC"} xref: PMID:25897321 {source="Europe PMC"} xref: PMID:32120931 {source="Europe PMC"} xref: PMID:33021609 {source="Europe PMC"} xref: PMID:5300194 {source="Europe PMC"} xref: PMID:5308835 {source="Europe PMC"} xref: PMID:799462 {source="Europe PMC"} xref: Reaxys:102438 {source="Reaxys"} xref: Wikipedia:Piperidine is_a: CHEBI:26151 ! piperidines is_a: CHEBI:32863 ! secondary amine is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37949 ! azacycloalkane relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:35223 ! catalyst relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:589779 ! piperidinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQRYJNQNLNOLGT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCNCC1" xsd:string [Term] id: CHEBI:18050 name: L-glutamine namespace: chebi_ontology alt_id: CHEBI:13110 alt_id: CHEBI:21308 alt_id: CHEBI:42812 alt_id: CHEBI:42814 alt_id: CHEBI:42899 alt_id: CHEBI:42943 alt_id: CHEBI:6227 def: "An optically active form of glutamine having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "(2S)-2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "(S)-2,5-diamino-5-oxopentanoic acid" RELATED [ChEBI] synonym: "Glutamic acid 5-amide" RELATED [HMDB] synonym: "Glutamic acid amide" RELATED [HMDB] synonym: "GLUTAMINE" RELATED [PDBeChem] synonym: "L-(+)-glutamine" RELATED [ChemIDplus] synonym: "L-2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "L-2-aminoglutaramic acid" RELATED [DrugBank] synonym: "L-2-aminoglutaramic acid" RELATED [ChEBI] synonym: "L-glutamic acid gamma-amide" RELATED [NIST_Chemistry_WebBook] synonym: "L-Glutamin" RELATED [ChEBI] synonym: "L-Glutamine" EXACT [KEGG_COMPOUND] synonym: "L-glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "L-Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "Levoglutamide" RELATED [KEGG_DRUG] synonym: "Q" RELATED [ChEBI] xref: Beilstein:1723797 {source="ChemIDplus"} xref: CAS:56-85-9 {source="KEGG COMPOUND"} xref: CAS:56-85-9 {source="NIST Chemistry WebBook"} xref: CAS:56-85-9 {source="ChemIDplus"} xref: Drug_Central:1311 {source="DrugCentral"} xref: DrugBank:DB00130 xref: ECMDB:ECMDB00641 xref: Gmelin:3509 {source="Gmelin"} xref: HMDB:HMDB0000641 xref: KEGG:C00064 xref: KEGG:D00015 xref: KNApSAcK:C00001359 xref: LINCS:LSM-4741 xref: MetaCyc:GLN xref: PDBeChem:GLN xref: PMID:11139387 {source="Europe PMC"} xref: PMID:15204730 {source="Europe PMC"} xref: PMID:22055478 {source="Europe PMC"} xref: PMID:22206385 {source="Europe PMC"} xref: PMID:22451274 {source="Europe PMC"} xref: PMID:22453904 {source="Europe PMC"} xref: PMID:22575040 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:29438107 {source="Europe PMC"} xref: Reaxys:1723797 {source="Reaxys"} xref: Wikipedia:Glutamine xref: YMDB:YMDB00002 is_a: CHEBI:24318 ! glutamine family amino acid is_a: CHEBI:28300 ! glutamine relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:61908 ! EC 1.14.13.39 (nitric oxide synthase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32665 ! L-glutaminate relationship: is_conjugate_base_of CHEBI:32666 ! L-glutaminium relationship: is_enantiomer_of CHEBI:17061 ! D-glutamine relationship: is_tautomer_of CHEBI:58359 ! L-glutamine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.14458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(N)=O)C(O)=O" xsd:string [Term] id: CHEBI:18053 name: 1-aminocyclopropanecarboxylic acid namespace: chebi_ontology alt_id: CHEBI:19027 alt_id: CHEBI:19028 alt_id: CHEBI:39590 alt_id: CHEBI:609 def: "A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position." [] subset: 3_STAR synonym: "1-Aminocyclopropane-1-carboxylic acid" RELATED [KEGG_COMPOUND] synonym: "1-aminocyclopropane-1-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-AMINOCYCLOPROPANECARBOXYLIC ACID" EXACT [PDBeChem] synonym: "ACC" RELATED [ChemIDplus] xref: Beilstein:2076413 {source="Beilstein"} xref: CAS:22059-21-8 {source="KEGG COMPOUND"} xref: CAS:22059-21-8 {source="ChemIDplus"} xref: DrugBank:DB02085 xref: Gmelin:362607 {source="Gmelin"} xref: HMDB:HMDB0036458 xref: KEGG:C01234 xref: KNApSAcK:C00007566 xref: MetaCyc:CPD-68 xref: PDBeChem:1AC xref: Pesticides:acc {source="Alan Wood's Pesticides"} xref: PMID:24120532 {source="Europe PMC"} xref: PMID:24495994 {source="Europe PMC"} xref: Reaxys:2076413 {source="Reaxys"} xref: Wikipedia:1-Aminocyclopropane-1-carboxylic_acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid relationship: has_role CHEBI:24002 ! ethylene releasers relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:30526 ! 1-aminocyclopropanecarboxylate relationship: is_tautomer_of CHEBI:58360 ! 1-aminocyclopropanecarboxylic acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAJPWUMXBYXFCZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.10392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC1(CC1)C(O)=O" xsd:string [Term] id: CHEBI:18059 name: lipid namespace: chebi_ontology alt_id: CHEBI:14517 alt_id: CHEBI:25054 alt_id: CHEBI:6486 def: "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids." [] subset: 3_STAR synonym: "Lipid" EXACT [KEGG_COMPOUND] synonym: "lipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01356 is_a: CDNO:0000001 ! dietary chemical component is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18067 name: phylloquinone namespace: chebi_ontology alt_id: CHEBI:11611 alt_id: CHEBI:14833 alt_id: CHEBI:26105 alt_id: CHEBI:45148 alt_id: CHEBI:8181 def: "A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones." [] subset: 3_STAR synonym: "2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione" RELATED [] synonym: "2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone" RELATED [] synonym: "2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione" EXACT [] synonym: "2-Methyl-3-phytyl-1,4-naphthochinon" RELATED [] synonym: "2-methyl-3-phytyl-1,4-naphthoquinone" RELATED [] synonym: "3-phytylmenadione" RELATED [] synonym: "alpha-phylloquinone" RELATED [] synonym: "fitomenadiona" RELATED [] synonym: "fitomenadione" RELATED [] synonym: "Mephyton" RELATED [] synonym: "Phyllochinon" RELATED [] synonym: "Phyllochinonum" RELATED [] synonym: "PHYLLOQUINONE" EXACT [] synonym: "Phylloquinone" EXACT [] synonym: "phylloquinone" EXACT [] synonym: "phytomenadione" RELATED [] synonym: "phytomenadionum" RELATED [] synonym: "phytonadione" RELATED [] synonym: "Phytonadionum" RELATED [] synonym: "Phytylmenadione" RELATED [] synonym: "trans-Phylloquinone" RELATED [] synonym: "Vitamin K1" RELATED [] synonym: "vitamin K1" RELATED [] synonym: "vitamin K1(20)" RELATED [] xref: CAS:84-80-0 xref: Chemspider:4447652 xref: Drug_Central:2843 xref: DrugBank:DB01022 xref: HMDB:HMDB0003555 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3788 xref: KEGG:C02059 xref: KEGG:D00148 xref: KNApSAcK:C00002868 xref: LIPID_MAPS_instance:LMPR02030028 xref: MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE xref: PDBeChem:PQN xref: PMCID:PMC6577341 xref: PMCID:PMC8180628 xref: PMID:1009028 xref: PMID:10701947 xref: PMID:10893417 xref: PMID:11003724 xref: PMID:15686525 xref: PMID:15773196 xref: PMID:19588895 xref: PMID:19996170 xref: PMID:21169510 xref: PMID:21645693 xref: PMID:21844348 xref: PMID:21914559 xref: PMID:27337968 xref: PMID:2851012 xref: PMID:30609653 xref: PMID:32090699 xref: PMID:32109957 xref: PMID:32221088 xref: PMID:32222983 xref: PMID:32445363 xref: PMID:33793953 xref: PMID:33968245 xref: PMID:34134516 xref: PMID:5511811 xref: PMID:7657478 xref: Reaxys:2568816 xref: Wikipedia:Phytomenadione is_a: CHEBI:26106 ! phylloquinones is_a: CHEBI:28384 ! vitamin K property_value: hasSynonym "phytomenadione" xsd:string property_value: hasSynonym "vitamin K1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C31H46O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MBWXNTAXLNYFJB-NKFFZRIASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "450.707" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "450.34978" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\\C(C)=C\\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O" xsd:string property_value: IAO:0000118 "phylloquinone" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18085 name: glycosaminoglycan namespace: chebi_ontology alt_id: CHEBI:14361 alt_id: CHEBI:24398 alt_id: CHEBI:5495 def: "Any polysaccharide containing a substantial proportion of aminomonosaccharide residues." [] subset: 3_STAR synonym: "glicosaminoglicano" RELATED [IUPAC] synonym: "Glycosaminoglycan" EXACT [KEGG_COMPOUND] synonym: "glycosaminoglycan" EXACT IUPAC_NAME [IUPAC] synonym: "glycosaminoglycane" RELATED [IUPAC] synonym: "glycosaminoglycans" RELATED [ChEBI] synonym: "Glykosaminoglykan" RELATED [ChEBI] xref: KEGG:C02545 xref: Wikipedia:Glycosaminoglycan is_a: CHEBI:22506 ! aminoglycan [Term] id: CHEBI:18099 name: cyclohexanol namespace: chebi_ontology alt_id: CHEBI:14051 alt_id: CHEBI:23471 alt_id: CHEBI:4013 alt_id: CHEBI:41739 def: "An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols." [] subset: 3_STAR synonym: "1-Cyclohexanol" RELATED [ChemIDplus] synonym: "Cyclohexan-1-ol" RELATED [KEGG_COMPOUND] synonym: "Cyclohexanol" EXACT [KEGG_COMPOUND] synonym: "cyclohexanol" EXACT IUPAC_NAME [IUPAC] synonym: "cyclohexanol" EXACT [UniProt] synonym: "Cyclohexyl alcohol" RELATED [ChemIDplus] synonym: "Hexahydrophenol" RELATED [KEGG_COMPOUND] synonym: "Hexalin" RELATED [KEGG_COMPOUND] synonym: "Hydrophenol" RELATED [NIST_Chemistry_WebBook] synonym: "Hydroxycyclohexane" RELATED [ChemIDplus] xref: CAS:108-93-0 {source="KEGG COMPOUND"} xref: CAS:108-93-0 {source="NIST Chemistry WebBook"} xref: CAS:108-93-0 {source="ChemIDplus"} xref: DrugBank:DB03703 xref: KEGG:C00854 xref: MetaCyc:CYCLOHEXANOL xref: PDBeChem:CXL xref: PMID:11682644 {source="Europe PMC"} xref: PMID:23825601 {source="Europe PMC"} xref: Reaxys:906744 {source="Reaxys"} xref: UM-BBD_compID:c0175 {source="UM-BBD"} xref: Wikipedia:Cyclohexanol is_a: CHEBI:23480 ! cyclohexanols is_a: CHEBI:35681 ! secondary alcohol relationship: has_role CHEBI:46787 ! solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPXRVTGHNJAIIH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.15888" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1CCCCC1" xsd:string [Term] id: CHEBI:18133 name: hexose namespace: chebi_ontology alt_id: CHEBI:14399 alt_id: CHEBI:24590 alt_id: CHEBI:5709 def: "Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose)." [] subset: 3_STAR synonym: "Hexose" EXACT [KEGG_COMPOUND] synonym: "hexoses" RELATED [ChEBI] synonym: "WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/" RELATED [GlyTouCan] xref: GlyGen:G70994MS xref: GlyTouCan:G70994MS xref: KEGG:C00738 is_a: CHEBI:35381 ! monosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18135 name: catechol namespace: chebi_ontology alt_id: CHEBI:135158 alt_id: CHEBI:13950 alt_id: CHEBI:23054 alt_id: CHEBI:3467 alt_id: CHEBI:41441 def: "A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other." [] subset: 3_STAR synonym: "1,2-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "1,2-Dihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "2-hydroxyphenol" RELATED [ChEBI] synonym: "alpha-hydroxyphenol" RELATED [ChEBI] synonym: "benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Brenzcatechin" RELATED [KEGG_COMPOUND] synonym: "Catechol" EXACT [KEGG_COMPOUND] synonym: "catechol" EXACT [UniProt] synonym: "o-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "o-hydroxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "pyrocatechin" RELATED [ChEBI] synonym: "Pyrocatechol" RELATED [KEGG_COMPOUND] xref: Beilstein:471401 {source="Beilstein"} xref: CAS:120-80-9 {source="ChemIDplus"} xref: CAS:120-80-9 {source="NIST Chemistry WebBook"} xref: CAS:120-80-9 {source="KEGG COMPOUND"} xref: CAS:12385-08-9 {source="KEGG COMPOUND"} xref: DrugBank:DB02232 xref: Gmelin:2936 {source="Gmelin"} xref: HMDB:HMDB0000957 xref: KEGG:C00090 xref: KEGG:C01785 xref: KEGG:C15571 xref: KNApSAcK:C00002644 xref: MetaCyc:CATECHOL xref: PDBeChem:CAQ xref: PMID:10651166 {source="Europe PMC"} xref: PMID:11470755 {source="Europe PMC"} xref: PMID:15951152 {source="Europe PMC"} xref: PMID:16610220 {source="Europe PMC"} xref: Reaxys:471401 {source="Reaxys"} xref: UM-BBD_compID:c0097 {source="UM-BBD"} xref: Wikipedia:Catechol is_a: CHEBI:33566 ! catechols relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:62215 ! allelochemical relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:50524 ! catecholate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCIMNLLNPGFGHC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.11064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:18139 name: trimethylamine namespace: chebi_ontology alt_id: CHEBI:15261 alt_id: CHEBI:27125 alt_id: CHEBI:27127 alt_id: CHEBI:9732 def: "A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group." [] subset: 3_STAR synonym: "(CH3)3N" RELATED [KEGG_COMPOUND] synonym: "N(CH3)3" RELATED [ChEBI] synonym: "N,N,N-trimethylamine" RELATED [ChEBI] synonym: "N,N-Dimethylmethanamine" RELATED [KEGG_COMPOUND] synonym: "N,N-dimethylmethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "NMe3" RELATED [ChEBI] synonym: "TMA" RELATED [NIST_Chemistry_WebBook] synonym: "tridimethylaminomethane" RELATED [ChEBI] synonym: "Trimethylamin" RELATED [ChEBI] synonym: "Trimethylamine" EXACT [KEGG_COMPOUND] xref: Beilstein:956566 {source="Beilstein"} xref: CAS:75-50-3 {source="ChemIDplus"} xref: CAS:75-50-3 {source="NIST Chemistry WebBook"} xref: CAS:75-50-3 {source="KEGG COMPOUND"} xref: Gmelin:1309 {source="Gmelin"} xref: HMDB:HMDB0000906 xref: KEGG:C00565 xref: KNApSAcK:C00001433 xref: MetaCyc:TRIMETHYLAMINE xref: PDBeChem:KEN xref: PMID:14047118 {source="Europe PMC"} xref: PMID:15304308 {source="Europe PMC"} xref: PMID:15752091 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:1801314 {source="Europe PMC"} xref: PMID:24591617 {source="Europe PMC"} xref: PMID:2501587 {source="Europe PMC"} xref: PMID:5161463 {source="Europe PMC"} xref: Reaxys:956566 {source="Reaxys"} xref: Wikipedia:Trimethylamine is_a: CHEBI:25274 ! methylamines is_a: CHEBI:32876 ! tertiary amine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:58389 ! trimethylammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.11030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C" xsd:string [Term] id: CHEBI:18140 name: hydrogen halide namespace: chebi_ontology alt_id: CHEBI:13368 alt_id: CHEBI:37140 alt_id: CHEBI:5599 subset: 3_STAR synonym: "HX" RELATED [UniProt] synonym: "hydrogen halide" EXACT [IUPAC] synonym: "hydrogen halides" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen halides" RELATED [ChEBI] is_a: CHEBI:33405 ! hydracid relationship: has_role CHEBI:138103 ! inorganic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HX" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F,Cl,Br,I]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18145 name: (R,R,R)-alpha-tocopherol def: "An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils." [] is_a: CHEBI:22470 ! α-tocopherol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18153 name: ethene namespace: chebi_ontology alt_id: CHEBI:14230 alt_id: CHEBI:24000 alt_id: CHEBI:4899 subset: 3_STAR synonym: "Aethen" RELATED [ChEBI] synonym: "Aethylen" RELATED [ChEBI] synonym: "CH2=CH2" RELATED [IUPAC] synonym: "ethene" EXACT [UniProt] synonym: "ethene" EXACT IUPAC_NAME [IUPAC] synonym: "Ethylene" RELATED [KEGG_COMPOUND] synonym: "H2C=CH2" RELATED [ChEBI] synonym: "R-1150" RELATED [ChEBI] xref: Beilstein:1730731 {source="Beilstein"} xref: BPDB:2009 xref: CAS:74-85-1 {source="KEGG COMPOUND"} xref: CAS:74-85-1 {source="NIST Chemistry WebBook"} xref: CAS:74-85-1 {source="ChemIDplus"} xref: Gmelin:214 {source="Gmelin"} xref: KEGG:C06547 xref: KNApSAcK:C00000175 xref: UM-BBD_compID:c0359 {source="UM-BBD"} is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:32878 ! alkene relationship: has_role CHEBI:37848 ! plant hormone relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4/c1-2/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VGGSQFUCUMXWEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.03130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=C" xsd:string [Term] id: CHEBI:18154 name: polysaccharide namespace: chebi_ontology alt_id: CHEBI:14864 alt_id: CHEBI:26205 alt_id: CHEBI:8322 def: "A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues." [] comment: LanguaL term definition: Complex carbohydrate with molecules composed of eleven or more saccharide units. Usually not sweet to the taste. Includes starch, pectin and cellulose. subset: 3_STAR synonym: "Glycan" RELATED [KEGG_COMPOUND] synonym: "Glycane" RELATED [ChEBI] synonym: "glycans" RELATED [IUPAC] synonym: "Glykan" RELATED [ChEBI] synonym: "Glykane" RELATED [ChEBI] synonym: "polisacarido" RELATED [ChEBI] synonym: "polisacaridos" RELATED [IUPAC] synonym: "Polysaccharide" EXACT [KEGG_COMPOUND] synonym: "polysaccharides" EXACT IUPAC_NAME [IUPAC] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0153 xref: KEGG:C00420 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:167559 ! glycan is_a: CHEBI:33694 ! biomacromolecule property_value: IAO:0000118 "polysaccharide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18172 name: fluoroacetate namespace: chebi_ontology alt_id: CHEBI:14273 alt_id: CHEBI:24063 def: "A haloacetate(1-) resulting from the deprotonation of the carboxy group of fluoroacetic acid." [] subset: 3_STAR synonym: "FCH2CO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "fluoroacetate" EXACT [UniProt] synonym: "fluoroacetate" EXACT IUPAC_NAME [IUPAC] synonym: "fluoroacetic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:3536125 {source="Beilstein"} xref: CAS:513-62-2 {source="NIST Chemistry WebBook"} xref: CAS:513-62-2 {source="ChemIDplus"} xref: Gmelin:323482 {source="Gmelin"} xref: KEGG:C06108 xref: Reaxys:3536125 {source="Reaxys"} xref: UM-BBD_compID:c0801 {source="UM-BBD"} is_a: CHEBI:85638 ! haloacetate(1-) relationship: is_conjugate_base_of CHEBI:30775 ! fluoroacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2FO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QEWYKACRFQMRMB-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "77.03448" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.00443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CF" xsd:string [Term] id: CHEBI:18186 name: tyrosine namespace: chebi_ontology alt_id: CHEBI:15277 alt_id: CHEBI:27176 alt_id: CHEBI:9800 def: "An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring." [] subset: 3_STAR synonym: "2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "tirosina" RELATED [ChEBI] synonym: "Tyr" RELATED [ChEBI] synonym: "Tyrosin" RELATED [ChEBI] synonym: "Tyrosine" EXACT [KEGG_COMPOUND] synonym: "tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "Y" RELATED [ChEBI] xref: Beilstein:515881 {source="Beilstein"} xref: CAS:55520-40-6 {source="ChemIDplus"} xref: CAS:556-03-6 {source="KEGG COMPOUND"} xref: Gmelin:27744 {source="Gmelin"} xref: KEGG:C01536 xref: KNApSAcK:C00001397 xref: PMID:17190852 {source="Europe PMC"} xref: Reaxys:515881 {source="Reaxys"} is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_part CHEBI:50336 ! 4-hydroxybenzyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32784 ! tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32786 ! tyrosinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:18237 name: glutamic acid namespace: chebi_ontology alt_id: CHEBI:24314 alt_id: CHEBI:5431 def: "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "DL-Glutamic acid" RELATED [KEGG_DRUG] synonym: "DL-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "Glutaminsaeure" RELATED [ChEBI] xref: Beilstein:1723799 {source="Beilstein"} xref: CAS:617-65-2 {source="ChemIDplus"} xref: CAS:617-65-2 {source="NIST Chemistry WebBook"} xref: CAS:617-65-2 {source="KEGG COMPOUND"} xref: Gmelin:101971 {source="Gmelin"} xref: KEGG:C00302 xref: KEGG:D04341 xref: KNApSAcK:C00001358 xref: KNApSAcK:C00019577 xref: PMID:15739367 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:24616376 {source="Europe PMC"} xref: PMID:24984001 {source="Europe PMC"} xref: Reaxys:1723799 {source="Reaxys"} xref: Wikipedia:Glutamic_acid is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50329 ! 2-carboxyethyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:14321 ! glutamate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:18243 name: dopamine namespace: chebi_ontology alt_id: CHEBI:11695 alt_id: CHEBI:11930 alt_id: CHEBI:14203 alt_id: CHEBI:1764 alt_id: CHEBI:23886 alt_id: CHEBI:43686 def: "Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group." [] subset: 3_STAR synonym: "2-(3,4-Dihydroxyphenyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "2-(3,4-dihydroxyphenyl)ethylamine" RELATED [ChEBI] synonym: "3,4-Dihydroxyphenethylamine" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxytyramine" RELATED [ChemIDplus] synonym: "4-(2-Aminoethyl)-1,2-benzenediol" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)-1,2-benzenediol" RELATED [ChEBI] synonym: "4-(2-Aminoethyl)benzene-1,2-diol" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "4-(2-aminoethyl)catechol" RELATED [ChemIDplus] synonym: "4-(2-aminoethyl)pyrocatechol" RELATED [ChemIDplus] synonym: "Deoxyepinephrine" RELATED [DrugBank] synonym: "dopamina" RELATED INN [ChemIDplus] synonym: "Dopamine" EXACT [KEGG_COMPOUND] synonym: "dopamine" RELATED INN [ChEBI] synonym: "dopaminum" RELATED INN [ChemIDplus] synonym: "Hydroxytyramin" RELATED [DrugBank] xref: CAS:51-61-6 {source="ChemIDplus"} xref: Drug_Central:947 {source="DrugCentral"} xref: DrugBank:DB00988 xref: HMDB:HMDB0000073 xref: KEGG:C03758 xref: KEGG:D07870 xref: KNApSAcK:C00001408 xref: LINCS:LSM-4630 xref: MetaCyc:DOPAMINE xref: PMID:10629745 {source="Europe PMC"} xref: PMID:11149432 {source="Europe PMC"} xref: PMID:9422813 {source="Europe PMC"} xref: Reaxys:1072822 {source="Reaxys"} xref: Wikipedia:Dopamine is_a: CHEBI:33567 ! catecholamine relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:38147 ! cardiotonic drug relationship: has_role CHEBI:48560 ! dopaminergic agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:59905 ! dopaminium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYFYYTLLBUKUHU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.17840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1ccc(O)c(O)c1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:18248 name: iron atom namespace: chebi_ontology alt_id: CHEBI:13322 alt_id: CHEBI:24872 alt_id: CHEBI:5974 def: "An iron group element atom that has atomic number 26." [] subset: 3_STAR synonym: "26Fe" RELATED [IUPAC] synonym: "Eisen" RELATED [ChEBI] synonym: "Fe" RELATED [UniProt] synonym: "Fe" RELATED [IUPAC] synonym: "fer" RELATED [ChEBI] synonym: "ferrum" RELATED [IUPAC] synonym: "hierro" RELATED [ChEBI] synonym: "Iron" RELATED [KEGG_COMPOUND] synonym: "iron" EXACT IUPAC_NAME [IUPAC] synonym: "iron" RELATED [ChEBI] xref: CAS:7439-89-6 {source="ChemIDplus"} xref: CAS:7439-89-6 {source="NIST Chemistry WebBook"} xref: CAS:7439-89-6 {source="KEGG COMPOUND"} xref: DrugBank:DB01592 xref: HMDB:HMDB0015531 xref: KEGG:C00023 xref: Reaxys:4122945 {source="Reaxys"} xref: WebElements:Fe is_a: CHEBI:33356 ! iron group element atom relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEEYBQQBJWHFJM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.84500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18254 name: ribonucleoside namespace: chebi_ontology alt_id: CHEBI:13014 alt_id: CHEBI:13015 alt_id: CHEBI:13685 alt_id: CHEBI:21085 alt_id: CHEBI:26560 alt_id: CHEBI:4240 alt_id: CHEBI:8844 def: "Any nucleoside where the sugar component is D-ribose." [] subset: 3_STAR synonym: "a ribonucleoside" RELATED [UniProt] synonym: "Ribonucleoside" EXACT [KEGG_COMPOUND] synonym: "ribonucleosides" RELATED [ChEBI] xref: KEGG:C00911 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:47019 ! dihydroxytetrahydrofuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.05008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18262 name: dodecanoate namespace: chebi_ontology alt_id: CHEBI:14187 alt_id: CHEBI:23863 def: "A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3." [] subset: 3_STAR synonym: "1-undecanecarboxylate" RELATED [ChEBI] synonym: "C12 fatty acid anion" RELATED [ChEBI] synonym: "CH3-[CH2]10-COO(-)" RELATED [IUPAC] synonym: "dodecanoate" EXACT [UniProt] synonym: "dodecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "dodecoate" RELATED [ChEBI] synonym: "dodecylate" RELATED [ChEBI] synonym: "duodecyclate" RELATED [ChEBI] synonym: "duodecylate" RELATED [ChEBI] synonym: "laurate" RELATED [ChEBI] synonym: "laurostearate" RELATED [ChEBI] synonym: "n-dodecanoate" RELATED [ChEBI] synonym: "undecane-1-carboxylate" RELATED [ChEBI] synonym: "vulvate" RELATED [ChEBI] xref: Beilstein:3588839 {source="Beilstein"} xref: Gmelin:333430 {source="Gmelin"} xref: KEGG:C02679 xref: MetaCyc:DODECANOATE xref: Reaxys:3588839 {source="Reaxys"} is_a: CHEBI:194240 ! omega-methyl-medium-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78119 ! fatty acid anion 12:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:30805 ! dodecanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H23O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "POULHZVOKOAJMA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.17035" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCCC)CCC([O-])=O" xsd:string [Term] id: CHEBI:18274 name: 2'-deoxyribonucleoside namespace: chebi_ontology alt_id: CHEBI:1083 alt_id: CHEBI:11394 alt_id: CHEBI:11567 alt_id: CHEBI:11568 alt_id: CHEBI:19259 alt_id: CHEBI:19560 alt_id: CHEBI:4421 subset: 3_STAR synonym: "2'-Deoxynucleoside" RELATED [KEGG_COMPOUND] synonym: "2'-deoxyribonucleosides" RELATED [ChEBI] synonym: "2-Deoxy-D-ribosyl-base" RELATED [KEGG_COMPOUND] synonym: "a 2'-deoxyribonucleoside" RELATED [UniProt] synonym: "Deoxynucleoside" RELATED [KEGG_COMPOUND] xref: KEGG:C02269 xref: KEGG:C03216 is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:47018 ! monohydroxytetrahydrofuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.05517" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])C[C@@H]1O" xsd:string [Term] id: CHEBI:18276 name: dihydrogen is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:25362 ! elemental molecule is_a: CHEBI:33260 ! elemental hydrogen [Term] id: CHEBI:18282 name: nucleobase namespace: chebi_ontology alt_id: CHEBI:13873 alt_id: CHEBI:25598 alt_id: CHEBI:2995 def: "That part of DNA or RNA that may be involved in pairing." [] subset: 3_STAR synonym: "Base" RELATED [KEGG_COMPOUND] synonym: "nucleobases" RELATED [ChEBI] xref: KEGG:C00701 xref: Wikipedia:Nucleobase is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:18283 name: alpha,alpha-trehalose 6-phosphate namespace: chebi_ontology alt_id: CHEBI:10201 alt_id: CHEBI:12285 alt_id: CHEBI:15252 alt_id: CHEBI:22364 subset: 3_STAR synonym: "alpha,alpha'-Trehalose 6-phosphate" RELATED [KEGG_COMPOUND] synonym: "alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)" RELATED [ChemIDplus] synonym: "Trehalose 6-phosphate" RELATED [KEGG_COMPOUND] xref: Beilstein:59815 {source="Beilstein"} xref: CAS:4484-88-2 {source="ChemIDplus"} xref: CAS:4484-88-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02430 xref: KEGG:C00689 xref: KEGG:G09795 xref: KNApSAcK:C00007451 is_a: CHEBI:27084 ! trehalose phosphate relationship: has_functional_parent CHEBI:16551 ! alpha,alpha-trehalose relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:58429 ! alpha,alpha-trehalose 6-phosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H23O14P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LABSPYBHMPDTEL-LIZSDCNHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "422.27638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "422.08254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18291 name: manganese atom namespace: chebi_ontology alt_id: CHEBI:13382 alt_id: CHEBI:25153 alt_id: CHEBI:6681 subset: 3_STAR synonym: "25Mn" RELATED [IUPAC] synonym: "Mangan" RELATED [NIST_Chemistry_WebBook] synonym: "Manganese" RELATED [KEGG_COMPOUND] synonym: "manganese" EXACT IUPAC_NAME [IUPAC] synonym: "manganese" RELATED [ChEBI] synonym: "manganeso" RELATED [ChEBI] synonym: "manganum" RELATED [ChEBI] synonym: "Mn" RELATED [IUPAC] synonym: "Mn" RELATED [UniProt] xref: CAS:7439-96-5 {source="KEGG COMPOUND"} xref: CAS:7439-96-5 {source="ChemIDplus"} xref: KEGG:C00034 xref: WebElements:Mn is_a: CHEBI:33352 ! manganese group element atom relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWHULOQIROXLJO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.93805" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mn]" xsd:string [Term] id: CHEBI:18292 name: jasmonic acid namespace: chebi_ontology alt_id: CHEBI:14486 alt_id: CHEBI:18487 alt_id: CHEBI:95 def: "An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring." [] subset: 3_STAR synonym: "(-)-Jasmonic acid" RELATED [KEGG_COMPOUND] synonym: "(-)-jasmonic acid" RELATED [ChEBI] synonym: "(1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid" RELATED [ChEBI] synonym: "(1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid" RELATED [LIPID_MAPS] synonym: "2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate" RELATED [IUBMB] synonym: "Jasmonate" RELATED [KEGG_COMPOUND] synonym: "Jasmonic acid" EXACT [KEGG_COMPOUND] synonym: "{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid" EXACT IUPAC_NAME [IUPAC] xref: BPDB:2440 xref: CAS:6894-38-8 {source="ChemIDplus"} xref: CAS:6894-38-8 {source="KEGG COMPOUND"} xref: Chemspider:4444606 xref: FooDB:FDB015493 xref: HMDB:HMDB0032797 xref: KEGG:C08491 xref: KNApSAcK:C00000218 xref: LIPID_MAPS_instance:LMFA02020001 {source="LIPID MAPS"} xref: PDBeChem:JAA xref: PMID:17470145 {source="Europe PMC"} xref: PMID:19704561 {source="Europe PMC"} xref: PMID:28223489 {source="Europe PMC"} xref: PMID:33516967 {source="Europe PMC"} xref: Reaxys:2692609 {source="Reaxys"} xref: Wikipedia:Jasmonic_acid is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: has_role CHEBI:24937 ! jasmonates relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:58431 ! jasmonate(1-) relationship: is_enantiomer_of CHEBI:139300 ! (+)-jasmonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNJFBWYDHIGLCU-HWKXXFMVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.273" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.12559" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O" xsd:string [Term] id: CHEBI:18295 name: histamine namespace: chebi_ontology alt_id: CHEBI:14401 alt_id: CHEBI:24596 alt_id: CHEBI:43187 alt_id: CHEBI:817 def: "A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group." [] subset: 3_STAR synonym: "1H-Imidazole-4-ethanamine" RELATED [KEGG_COMPOUND] synonym: "2-(1H-imidazol-4-yl)ethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "2-(4-Imidazolyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "HISTAMINE" EXACT [PDBeChem] synonym: "Histamine" EXACT [KEGG_COMPOUND] xref: Beilstein:2012 {source="Beilstein"} xref: CAS:51-45-6 {source="NIST Chemistry WebBook"} xref: CAS:51-45-6 {source="ChemIDplus"} xref: CAS:51-45-6 {source="KEGG COMPOUND"} xref: Drug_Central:1375 {source="DrugCentral"} xref: Gmelin:2968 {source="Gmelin"} xref: HMDB:HMDB0000870 xref: KEGG:C00388 xref: KEGG:D08040 xref: KNApSAcK:C00001414 xref: MetaCyc:HISTAMINE xref: PDBeChem:HSM xref: PMID:16399866 {source="Europe PMC"} xref: PMID:19547708 {source="Europe PMC"} xref: PMID:19843401 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24101735 {source="Europe PMC"} xref: Reaxys:2012 {source="Reaxys"} xref: Wikipedia:Histamine is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:64365 ! aralkylamino compound relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:58432 ! histaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTYJJOPFIAHURM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "111.14518" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.07965" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1c[nH]cn1" xsd:string [Term] id: CHEBI:18300 name: maleic acid namespace: chebi_ontology alt_id: CHEBI:25119 alt_id: CHEBI:43836 alt_id: CHEBI:6653 def: "A butenedioic acid in which the double bond has cis- (Z)-configuration." [] subset: 3_STAR synonym: "(2Z)-but-2-enedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-2-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(Z)-butenedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-1,2-ethylenedicarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-but-2-enedioic acid" RELATED [IUPAC] synonym: "cis-Butenedioic acid" RELATED [KEGG_COMPOUND] synonym: "H2male" RELATED [IUPAC] synonym: "MALEIC ACID" EXACT [PDBeChem] synonym: "Maleic acid" EXACT [KEGG_COMPOUND] synonym: "toxilic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1903639 {source="Beilstein"} xref: Beilstein:605762 {source="Beilstein"} xref: CAS:110-16-7 {source="KEGG COMPOUND"} xref: CAS:110-16-7 {source="ChemIDplus"} xref: CAS:110-16-7 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04299 xref: Gmelin:49854 {source="Gmelin"} xref: HMDB:HMDB0000176 xref: KEGG:C01384 xref: KNApSAcK:C00007417 xref: MetaCyc:MALEATE xref: PDBeChem:MAE xref: PMID:10952545 {source="Europe PMC"} xref: PMID:11386868 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:9591280 {source="Europe PMC"} xref: Reaxys:605762 {source="Reaxys"} xref: Wikipedia:Maleic_acid is_a: CHEBI:22958 ! butenedioic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:37156 ! maleate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UPHRSURJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.07216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)\\C=C/C(O)=O" xsd:string [Term] id: CHEBI:18308 name: acrylic acid namespace: chebi_ontology alt_id: CHEBI:19766 alt_id: CHEBI:19768 alt_id: CHEBI:35853 alt_id: CHEBI:40714 alt_id: CHEBI:8487 def: "A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group." [] subset: 3_STAR synonym: "2-Propenoic acid" RELATED [KEGG_COMPOUND] synonym: "acroleic acid" RELATED [ChemIDplus] synonym: "Acrylate" RELATED [KEGG_COMPOUND] synonym: "ACRYLIC ACID" EXACT [PDBeChem] synonym: "Acrylic acid" EXACT [KEGG_COMPOUND] synonym: "ethylenecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Propenoate" RELATED [KEGG_COMPOUND] synonym: "Propenoic acid" RELATED [ChemIDplus] synonym: "Vinylformic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:635743 {source="Beilstein"} xref: CAS:79-10-7 {source="KEGG COMPOUND"} xref: CAS:79-10-7 {source="ChemIDplus"} xref: CAS:79-10-7 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02579 xref: Gmelin:1817 {source="Gmelin"} xref: HMDB:HMDB0031647 xref: KEGG:C00511 xref: LIPID_MAPS_instance:LMFA01030193 {source="LIPID MAPS"} xref: MetaCyc:MY148411 xref: MetaCyc:MY149879 xref: PDBeChem:AKR xref: PMID:24650085 {source="Europe PMC"} xref: PMID:24673501 {source="Europe PMC"} xref: Reaxys:635743 {source="Reaxys"} xref: Wikipedia:Acrylic_acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:37080 ! acrylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIXOWILDQLNWCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.06266" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C=C" xsd:string [Term] id: CHEBI:18310 name: alkane namespace: chebi_ontology alt_id: CHEBI:13435 alt_id: CHEBI:22317 alt_id: CHEBI:2576 def: "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." [] subset: 3_STAR synonym: "alcane" RELATED [IUPAC] synonym: "alcanes" RELATED [IUPAC] synonym: "alcano" RELATED [IUPAC] synonym: "alcanos" RELATED [IUPAC] synonym: "Alkan" RELATED [ChEBI] synonym: "Alkane" EXACT [KEGG_COMPOUND] synonym: "alkane" EXACT IUPAC_NAME [IUPAC] synonym: "alkanes" EXACT IUPAC_NAME [IUPAC] synonym: "an alkane" RELATED [UniProt] synonym: "RH" RELATED [KEGG_COMPOUND] xref: KEGG:C01371 is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33653 ! aliphatic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.035" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.02348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:18320 name: 1,4-dithiothreitol namespace: chebi_ontology alt_id: CHEBI:11174 alt_id: CHEBI:23854 alt_id: CHEBI:4664 def: "The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol." [] subset: 3_STAR synonym: "(R*,R*)-1,4-dimercapto-2,3-butanediol" RELATED [NIST_Chemistry_WebBook] synonym: "1,4-Dithiothreitol" EXACT [KEGG_COMPOUND] synonym: "1,4-dithiothreitol" EXACT [UniProt] synonym: "Cleland's reagent" RELATED [NIST_Chemistry_WebBook] synonym: "Dithiothreitol" RELATED [KEGG_COMPOUND] synonym: "Dithiotreitol" RELATED [ChemIDplus] synonym: "DL-threo-1,4-Dimercapto-2,3-butanediol" RELATED [ChemIDplus] synonym: "DTL" RELATED [ChEBI] synonym: "DTT" RELATED [ChEBI] synonym: "rac-Dithiothreitol" RELATED [ChemIDplus] synonym: "rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "threo-1,4-Dimercapto-2,3-butanediol" RELATED [KEGG_COMPOUND] xref: Beilstein:8144556 {source="Beilstein"} xref: CAS:3483-12-3 {source="ChemIDplus"} xref: CAS:3483-12-3 {source="NIST Chemistry WebBook"} xref: CAS:3483-12-3 {source="KEGG COMPOUND"} xref: DrugBank:DB04447 xref: KEGG:C00265 xref: LINCS:LSM-36870 xref: PMID:16901854 {source="Europe PMC"} xref: PMID:18022205 {source="Europe PMC"} xref: PMID:23673948 {source="Europe PMC"} xref: PMID:24124079 {source="Europe PMC"} xref: PMID:7592847 {source="Europe PMC"} is_a: CHEBI:23853 ! dithiol is_a: CHEBI:25189 ! 1,4-dimercaptobutane-2,3-diol relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:63247 ! reducing agent relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHJLVAABSRFDPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.25100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.01222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(CS)C(O)CS" xsd:string [Term] id: CHEBI:18332 name: L-thyroxine namespace: chebi_ontology alt_id: CHEBI:13177 alt_id: CHEBI:21406 alt_id: CHEBI:45848 alt_id: CHEBI:7663 def: "The L-enantiomer of thyroxine." [] subset: 3_STAR synonym: "3,3',5,5'-tetraiodo-L-thyronine" RELATED [ChemIDplus] synonym: "3,5,3',5'-TETRAIODO-L-THYRONINE" RELATED [PDBeChem] synonym: "3,5,3',5'-tetraiodo-L-thyronine" RELATED [ChemIDplus] synonym: "4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine" RELATED [IUPAC] synonym: "L-T4" RELATED [ChemIDplus] synonym: "L-Thyroxine" EXACT [KEGG_COMPOUND] synonym: "L-thyroxine" EXACT IUPAC_NAME [IUPAC] synonym: "Levothyroxin" RELATED [KEGG_COMPOUND] synonym: "levothyroxine" RELATED [ChemIDplus] synonym: "LT4" RELATED [ChEBI] synonym: "O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine" RELATED [PDBeChem] synonym: "T4" RELATED [KEGG_COMPOUND] synonym: "T4" RELATED [ChEBI] xref: Beilstein:2228515 {source="Beilstein"} xref: Beilstein:7002831 {source="Beilstein"} xref: CAS:51-48-9 {source="ChemIDplus"} xref: CAS:51-48-9 {source="KEGG COMPOUND"} xref: Drug_Central:2646 {source="DrugCentral"} xref: DrugBank:DB00451 xref: KEGG:C01829 xref: KEGG:D08125 xref: LINCS:LSM-5447 xref: PDBeChem:T44 xref: PMID:15206581 {source="Europe PMC"} xref: PMID:18996189 {source="Europe PMC"} xref: PMID:20483419 {source="Europe PMC"} xref: PMID:2062236 {source="Europe PMC"} xref: PMID:21035598 {source="Europe PMC"} xref: PMID:24216002 {source="Europe PMC"} xref: PMID:24548294 {source="Europe PMC"} xref: PMID:24610609 {source="Europe PMC"} xref: VSDB:3004 xref: Wikipedia:Levothyroxine is_a: CHEBI:30660 ! thyroxine is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid is_a: CHEBI:84144 ! L-phenylalanine derivative relationship: has_role CHEBI:50671 ! antithyroid drug relationship: has_role CHEBI:60311 ! thyroid hormone relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:60302 ! L-thyroxine(1-) relationship: is_enantiomer_of CHEBI:30659 ! D-thyroxine relationship: is_tautomer_of CHEBI:58448 ! L-thyroxine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "776.87006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.68669" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O" xsd:string [Term] id: CHEBI:18361 name: diphosphate(4-) namespace: chebi_ontology alt_id: CHEBI:13420 alt_id: CHEBI:42009 subset: 3_STAR synonym: "[O3POPO3](4-)" RELATED [IUPAC] synonym: "Diphosphat" RELATED [ChEBI] synonym: "DIPHOSPHATE" RELATED [PDBeChem] synonym: "Diphosphate" RELATED [KEGG_COMPOUND] synonym: "diphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "mu-oxido-bis(trioxidophosphate)(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "mu-oxo-hexaoxodiphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "P2O7(4-)" RELATED [IUPAC] synonym: "PPi" RELATED [KEGG_COMPOUND] synonym: "Pyrophosphat" RELATED [ChEBI] synonym: "Pyrophosphate" RELATED [KEGG_COMPOUND] synonym: "pyrophosphate ion" RELATED [ChemIDplus] xref: CAS:14000-31-8 {source="ChemIDplus"} xref: Gmelin:26938 {source="Gmelin"} xref: KEGG:C00013 xref: PDBeChem:DPO is_a: CHEBI:35782 ! diphosphate ion relationship: is_conjugate_base_of CHEBI:33019 ! diphosphate(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPPKVPWEQAFLFU-UHFFFAOYSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.94332" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.91412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:18367 name: phosphate(3-) namespace: chebi_ontology alt_id: CHEBI:14791 alt_id: CHEBI:45024 alt_id: CHEBI:7793 def: "A phosphate ion that is the conjugate base of hydrogenphosphate." [] subset: 3_STAR synonym: "[PO4](3-)" RELATED [IUPAC] synonym: "Orthophosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "PHOSPHATE ION" RELATED [PDBeChem] synonym: "PO4(3-)" RELATED [IUPAC] synonym: "tetraoxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903772 {source="Beilstein"} xref: CAS:14265-44-2 {source="KEGG COMPOUND"} xref: CAS:14265-44-2 {source="ChemIDplus"} xref: Gmelin:1997 {source="Gmelin"} xref: KEGG:C00009 xref: PDBeChem:PO4 {source="ChEBI"} xref: Reaxys:3903772 {source="Reaxys"} is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:43474 ! hydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.97136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.95507" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])([O-])=O" xsd:string [Term] id: CHEBI:18375 name: nucleoside 3',5'-cyclic phosphate namespace: chebi_ontology alt_id: CHEBI:1331 alt_id: CHEBI:14672 alt_id: CHEBI:19833 def: "A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate." [] subset: 3_STAR synonym: "nucleoside 3',5'-cyclic phosphates" RELATED [ChEBI] is_a: CHEBI:23447 ! cyclic nucleotide relationship: is_conjugate_acid_of CHEBI:58464 ! nucleoside 3',5'-cyclic phosphate anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7O5PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.07980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.00311" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1" xsd:string [Term] id: CHEBI:18379 name: nitrile namespace: chebi_ontology alt_id: CHEBI:13212 alt_id: CHEBI:13426 alt_id: CHEBI:13660 alt_id: CHEBI:25547 alt_id: CHEBI:7584 def: "A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it." [] subset: 3_STAR synonym: "a nitrile" RELATED [UniProt] synonym: "Nitril" RELATED [ChEBI] synonym: "Nitrile" EXACT [KEGG_COMPOUND] synonym: "nitrile" EXACT [IUPAC] synonym: "nitriles" EXACT IUPAC_NAME [IUPAC] synonym: "nitrilos" RELATED [IUPAC] synonym: "R-CN" RELATED [KEGG_COMPOUND] xref: KEGG:C00726 is_a: CHEBI:23424 ! cyanides relationship: has_part CHEBI:48819 ! cyano group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C#N" xsd:string [Term] id: CHEBI:18385 name: thiamine(1+) namespace: chebi_ontology alt_id: CHEBI:15227 alt_id: CHEBI:26941 alt_id: CHEBI:46393 alt_id: CHEBI:9530 def: "A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively." [] subset: 3_STAR synonym: "3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM" RELATED [PDBeChem] synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" EXACT IUPAC_NAME [IUPAC] synonym: "Aneurin" RELATED [KEGG_COMPOUND] synonym: "Antiberiberi factor" RELATED [KEGG_COMPOUND] synonym: "Thiamin" RELATED [KEGG_COMPOUND] synonym: "Thiamine" RELATED [KEGG_COMPOUND] synonym: "thiamine" RELATED [UniProt] synonym: "thiamine cation" RELATED [ChEBI] synonym: "thiamine ion" RELATED [ChemIDplus] synonym: "thiamine(1+) ion" RELATED [ChEBI] synonym: "thiaminium" RELATED [ChEBI] synonym: "Vitamin B1" RELATED [KEGG_COMPOUND] synonym: "vitamin B1" RELATED [ChEBI] xref: Beilstein:3595616 {source="Beilstein"} xref: CAS:70-16-6 {source="ChemIDplus"} xref: Chemspider:1098 xref: Drug_Central:2832 {source="DrugCentral"} xref: DrugBank:DB00152 xref: FooDB:FDB008424 xref: Gmelin:334462 {source="Gmelin"} xref: HMDB:HMDB0000235 xref: KEGG:C00378 xref: KNApSAcK:C00000775 xref: LINCS:LSM-5996 xref: MetaCyc:THIAMINE xref: PDBeChem:VIB xref: PMID:10436256 {source="Europe PMC"} xref: PMID:10542220 {source="Europe PMC"} xref: PMID:10883001 {source="Europe PMC"} xref: PMID:11015250 {source="Europe PMC"} xref: PMID:11435118 {source="Europe PMC"} xref: PMID:11899071 {source="Europe PMC"} xref: PMID:11977806 {source="Europe PMC"} xref: PMID:12111441 {source="Europe PMC"} xref: PMID:1538220 {source="Europe PMC"} xref: PMID:15451668 {source="Europe PMC"} xref: PMID:15862682 {source="Europe PMC"} xref: PMID:16645728 {source="Europe PMC"} xref: PMID:17964830 {source="Europe PMC"} xref: PMID:18652651 {source="Europe PMC"} xref: PMID:21706007 {source="Europe PMC"} xref: PMID:21848803 {source="Europe PMC"} xref: PMID:24079939 {source="Europe PMC"} xref: PMID:24768306 {source="Europe PMC"} xref: PMID:7291135 {source="Europe PMC"} xref: PMID:7731897 {source="Europe PMC"} xref: PMID:7733128 {source="Europe PMC"} xref: PMID:8192530 {source="Europe PMC"} xref: PMID:8205249 {source="Europe PMC"} xref: PMID:8522961 {source="Europe PMC"} xref: PMID:8619543 {source="Europe PMC"} xref: PMID:9387133 {source="Europe PMC"} xref: Wikipedia:Thiamine is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:26948 ! vitamin B1 relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:49107 ! thiamine(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JZRWCGZRTZMZEH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "265.11176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N" xsd:string [Term] id: CHEBI:18401 name: phenylacetate namespace: chebi_ontology alt_id: CHEBI:14779 alt_id: CHEBI:25975 def: "A monocarboxylic acid anion that is the conjugate base of phenylacetic acid." [] subset: 3_STAR synonym: "2-phenylacetate" RELATED [UniProt] synonym: "2-phenylethanoate" RELATED [ChEBI] synonym: "phenylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylacetate anion" RELATED [ChEBI] synonym: "phenylacetate(1-)" RELATED [ChEBI] synonym: "phenylacetic acid anion" RELATED [ChEBI] xref: Beilstein:3539899 {source="Beilstein"} xref: Gmelin:327522 {source="Gmelin"} xref: MetaCyc:PHENYLACETATE xref: Reaxys:3539899 {source="Reaxys"} xref: UM-BBD_compID:c0211 {source="UM-BBD"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30745 ! phenylacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLJVXDMOQOGPHL-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.13998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.04515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)Cc1ccccc1" xsd:string [Term] id: CHEBI:18407 name: hydrogen cyanide namespace: chebi_ontology alt_id: CHEBI:13362 alt_id: CHEBI:5786 def: "A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom" [] subset: 3_STAR synonym: "[CHN]" RELATED [IUPAC] synonym: "Blausaeure" RELATED [ChEBI] synonym: "Cyanwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "formonitrile" RELATED [IUPAC] synonym: "HCN" RELATED [KEGG_COMPOUND] synonym: "hydridonitridocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocyanic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Hydrogen cyanide" EXACT [KEGG_COMPOUND] synonym: "hydrogen cyanide" EXACT [IUPAC] synonym: "hydrogen cyanide" EXACT [UniProt] synonym: "hydrogen(nitridocarbonate)" EXACT IUPAC_NAME [IUPAC] synonym: "methanenitrile" EXACT IUPAC_NAME [IUPAC] xref: CAS:74-90-8 {source="ChemIDplus"} xref: CAS:74-90-8 {source="NIST Chemistry WebBook"} xref: CAS:74-90-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0060292 xref: KEGG:C01326 xref: KNApSAcK:C00007569 xref: MetaCyc:HCN xref: PMID:19849830 {source="Europe PMC"} xref: PMID:26700190 {source="Europe PMC"} xref: PMID:26778429 {source="Europe PMC"} xref: PMID:26823582 {source="Europe PMC"} xref: PMID:26940198 {source="Europe PMC"} xref: PMID:27123778 {source="Europe PMC"} xref: Reaxys:1718793 {source="Reaxys"} xref: Wikipedia:Hydrogen_cyanide is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17514 ! cyanide relationship: is_tautomer_of CHEBI:36856 ! hydrogen isocyanide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHN/c1-2/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LELOWRISYMNNSU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "27.02530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.01090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C#N" xsd:string [Term] id: CHEBI:18421 name: superoxide namespace: chebi_ontology alt_id: CHEBI:15143 alt_id: CHEBI:26839 alt_id: CHEBI:7710 subset: 3_STAR synonym: "(O2)(.-)" RELATED [IUPAC] synonym: "Dioxid(1-)" RELATED [ChEBI] synonym: "dioxidanidyl" EXACT IUPAC_NAME [IUPAC] synonym: "dioxide(.1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dioxide(1-)" RELATED [IUPAC] synonym: "hiperoxido" RELATED [ChEBI] synonym: "Hyperoxid" RELATED [ChEBI] synonym: "hyperoxide" RELATED [IUPAC] synonym: "O2(-)" RELATED [IUPAC] synonym: "O2(.-)" RELATED [IUPAC] synonym: "O2-" RELATED [KEGG_COMPOUND] synonym: "O2.-" RELATED [KEGG_COMPOUND] synonym: "superoxide" EXACT [IUPAC] synonym: "superoxide" EXACT [UniProt] synonym: "Superoxide anion" RELATED [KEGG_COMPOUND] synonym: "superoxide anion radical" RELATED [ChemIDplus] synonym: "superoxide radical" RELATED [ChEBI] synonym: "superoxide radical anion" RELATED [ChEBI] synonym: "superoxido" RELATED [ChEBI] synonym: "superoxyde" RELATED [ChEBI] xref: CAS:11062-77-4 {source="ChemIDplus"} xref: CAS:11062-77-4 {source="NIST Chemistry WebBook"} xref: Chemspider:4514331 xref: FooDB:FDB022880 xref: Gmelin:487 {source="Gmelin"} xref: HMDB:HMDB0002168 xref: KEGG:C00704 xref: MetaCyc:SUPER-OXIDE xref: PDBeChem:2FK xref: PMID:10440226 {source="Europe PMC"} xref: PMID:10523323 {source="Europe PMC"} xref: PMID:10588368 {source="Europe PMC"} xref: PMID:11008114 {source="Europe PMC"} xref: PMID:11333112 {source="Europe PMC"} xref: PMID:11485972 {source="Europe PMC"} xref: PMID:12097818 {source="Europe PMC"} xref: PMID:12137408 {source="Europe PMC"} xref: PMID:12598407 {source="Europe PMC"} xref: PMID:14529453 {source="Europe PMC"} xref: PMID:14703794 {source="Europe PMC"} xref: PMID:14726604 {source="Europe PMC"} xref: PMID:15586010 {source="Europe PMC"} xref: PMID:15807660 {source="Europe PMC"} xref: PMID:15952898 {source="Europe PMC"} xref: PMID:1671684 {source="Europe PMC"} xref: PMID:16771675 {source="Europe PMC"} xref: PMID:16814528 {source="Europe PMC"} xref: PMID:17052238 {source="Europe PMC"} xref: PMID:17303648 {source="Europe PMC"} xref: PMID:17531522 {source="Europe PMC"} xref: PMID:18519744 {source="Europe PMC"} xref: PMID:18827931 {source="Europe PMC"} xref: PMID:19273321 {source="Europe PMC"} xref: PMID:19482633 {source="Europe PMC"} xref: PMID:19628033 {source="Europe PMC"} xref: PMID:19857607 {source="Europe PMC"} xref: PMID:19914407 {source="Europe PMC"} xref: PMID:20868230 {source="Europe PMC"} xref: PMID:21297912 {source="Europe PMC"} xref: PMID:21434856 {source="Europe PMC"} xref: PMID:21473702 {source="Europe PMC"} xref: PMID:2160451 {source="Europe PMC"} xref: PMID:217531 {source="Europe PMC"} xref: PMID:22198225 {source="Europe PMC"} xref: PMID:22247596 {source="Europe PMC"} xref: PMID:22521482 {source="Europe PMC"} xref: PMID:22729857 {source="Europe PMC"} xref: PMID:22759590 {source="Europe PMC"} xref: PMID:23542447 {source="Europe PMC"} xref: PMID:23660153 {source="Europe PMC"} xref: PMID:23668959 {source="Europe PMC"} xref: PMID:24567847 {source="Europe PMC"} xref: PMID:24862271 {source="Europe PMC"} xref: PMID:2552230 {source="Europe PMC"} xref: PMID:26047895 {source="Europe PMC"} xref: PMID:26475962 {source="Europe PMC"} xref: PMID:26875845 {source="Europe PMC"} xref: PMID:27066025 {source="Europe PMC"} xref: PMID:27066179 {source="Europe PMC"} xref: PMID:27085844 {source="Europe PMC"} xref: PMID:27357008 {source="Europe PMC"} xref: PMID:27590268 {source="Europe PMC"} xref: PMID:27965593 {source="Europe PMC"} xref: PMID:28341974 {source="Europe PMC"} xref: PMID:28599858 {source="Europe PMC"} xref: PMID:28825637 {source="Europe PMC"} xref: PMID:28842347 {source="Europe PMC"} xref: PMID:28842493 {source="Europe PMC"} xref: PMID:29259135 {source="Europe PMC"} xref: PMID:29385710 {source="Europe PMC"} xref: PMID:29669742 {source="Europe PMC"} xref: PMID:29896077 {source="Europe PMC"} xref: PMID:30307099 {source="Europe PMC"} xref: PMID:30500433 {source="Europe PMC"} xref: PMID:30573187 {source="Europe PMC"} xref: PMID:30886134 {source="Europe PMC"} xref: PMID:31254369 {source="Europe PMC"} xref: PMID:31484901 {source="Europe PMC"} xref: PMID:32144830 {source="Europe PMC"} xref: PMID:32220789 {source="Europe PMC"} xref: PMID:32478084 {source="Europe PMC"} xref: PMID:32667121 {source="Europe PMC"} xref: PMID:32760286 {source="Europe PMC"} xref: PMID:32927603 {source="Europe PMC"} xref: PMID:33248264 {source="Europe PMC"} xref: PMID:33716500 {source="Europe PMC"} xref: PMID:33805942 {source="Europe PMC"} xref: PMID:34635271 {source="Europe PMC"} xref: PMID:7998676 {source="Europe PMC"} xref: PMID:8577306 {source="Europe PMC"} xref: PMID:8720916 {source="Europe PMC"} xref: PMID:8959373 {source="Europe PMC"} xref: PMID:9337481 {source="Europe PMC"} xref: Wikipedia:Superoxide is_a: CHEBI:33263 ! diatomic oxygen is_a: CHEBI:36876 ! inorganic radical anion is_a: CHEBI:61073 ! oxygen radical relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HO2/c1-2/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUUQCZGPVNCOIJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O][O-]" xsd:string [Term] id: CHEBI:18422 name: sulfur dioxide namespace: chebi_ontology alt_id: CHEBI:45789 alt_id: CHEBI:8992 alt_id: CHEBI:9351 comment: LanguaL term definition: Food additive; technological purpose(s): antioxidant, preservative. subset: 3_STAR synonym: "[SO2]" RELATED [] synonym: "dioxidosulfur" EXACT [] synonym: "R-764" RELATED [] synonym: "Schwefel(IV)-oxid" RELATED [] synonym: "Schwefeldioxid" RELATED [] synonym: "SO2" RELATED [] synonym: "SULFUR DIOXIDE" EXACT [] synonym: "Sulfur dioxide" EXACT [] synonym: "sulfur dioxide" EXACT [] synonym: "sulfurous anhydride" RELATED [] synonym: "sulfurous oxide" RELATED [] synonym: "sulphur dioxide" RELATED [] xref: CAS:7446-09-5 xref: Codex:\:220 xref: Europe:\:220 xref: Gmelin:1443 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3295 xref: KEGG:C05532 xref: KEGG:C09306 xref: KEGG:D05961 xref: PDBeChem:SO2 is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:48154 ! sulfur oxide is_a: FOODON:03412972 ! food additive property_value: hasSynonym "sulfur dioxide" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2S/c1-3-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAHZWNYVWXNFOC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "64.06480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.96190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=S=O" xsd:string property_value: IAO:0000118 "sulphur dioxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:184376 name: streptidine(2+) namespace: chebi_ontology def: "A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3." [] subset: 3_STAR synonym: "streptidine" RELATED [UniProt] synonym: "streptidine dication" RELATED [ChEBI] synonym: "{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium)" RELATED [IUPAC] synonym: "{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:27405 ! streptidine property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H20N6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/p+2/t1-,2+,3-,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MSXMXWJPFIDEMT-FAEUDGQSSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.285" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.15351" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=[NH2+])[C@@H]1O" xsd:string [Term] id: CHEBI:18624 name: (E)-1,3-dichloropropene namespace: chebi_ontology def: "A 1,3-dichloropropene with a (E)-configuration." [] subset: 3_STAR synonym: "(1E)-1,3-Dichloro-1-propene" RELATED [NIST_Chemistry_WebBook] synonym: "(1E)-1,3-dichloroprop-1-ene" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-1,3-Dichloro-1-propene" RELATED [ChemIDplus] synonym: "(E)-1,3-Dichloropropene" EXACT [ChemIDplus] synonym: "D-D 92" RELATED [KEGG_COMPOUND] synonym: "trans-1,3-Dichloro-1-propene" RELATED [ChemIDplus] synonym: "trans-1,3-Dichloropropene" RELATED [KEGG_COMPOUND] synonym: "trans-1,3-Dichloropropylene" RELATED [NIST_Chemistry_WebBook] synonym: "trans-3-Chloroallyl chloride" RELATED [KEGG_COMPOUND] xref: Beilstein:8403040 {source="Beilstein"} xref: CAS:10061-02-6 {source="NIST Chemistry WebBook"} xref: CAS:10061-02-6 {source="ChemIDplus"} xref: CAS:10061-02-6 {source="KEGG COMPOUND"} xref: CAS:542-75-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0013592 xref: KEGG:C06609 xref: KEGG:C18627 xref: MetaCyc:CPD-9112 xref: PMID:15473640 {source="Europe PMC"} xref: PMID:18576217 {source="Europe PMC"} xref: PMID:23899962 {source="Europe PMC"} xref: Reaxys:8403040 {source="Reaxys"} xref: UM-BBD_compID:c0611 {source="UM-BBD"} is_a: CHEBI:18918 ! 1,3-dichloropropene relationship: has_parent_hydride CHEBI:16052 ! propene relationship: has_role CHEBI:39276 ! fumigant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UOORRWUZONOOLO-OWOJBTEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.97000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC\\C=C\\Cl" xsd:string [Term] id: CHEBI:18723 name: nicotine namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-nicotine." [] subset: 3_STAR synonym: "(+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine" RELATED [KEGG_COMPOUND] synonym: "(+-)-nicotine" RELATED [ChemIDplus] synonym: "(R,S)-nicotine" RELATED [ChemIDplus] synonym: "(RS)-nicotine" RELATED [UM-BBD] synonym: "nicotin" RELATED [ChEBI] synonym: "nikotin" RELATED [ChEBI] synonym: "rac-3-(1-methylpyrrolidin-2-yl)pyridine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:82108 "Beilstein" xref: Beilstein:82108 {source="Beilstein"} xref: Beilstein:82111 "Beilstein" xref: Beilstein:82111 {source="Beilstein"} xref: CAS:22083-74-5 "ChemIDplus" xref: CAS:22083-74-5 {source="ChemIDplus"} xref: CAS:22083-74-5 {source="KEGG COMPOUND"} xref: DrugBank:DB00184 xref: HMDB:HMDB0014330 xref: KEGG:C16150 xref: KNApSAcK:C00002057 xref: PMID:10751565 "Europe PMC" xref: PMID:10751565 {source="Europe PMC"} xref: PMID:11192937 "Europe PMC" xref: PMID:11192937 {source="Europe PMC"} xref: PMID:11471991 "Europe PMC" xref: PMID:11471991 {source="Europe PMC"} xref: PMID:11559179 "Europe PMC" xref: PMID:11559179 {source="Europe PMC"} xref: PMID:11682702 "Europe PMC" xref: PMID:11682702 {source="Europe PMC"} xref: PMID:11714820 "Europe PMC" xref: PMID:11714820 {source="Europe PMC"} xref: PMID:11719700 "Europe PMC" xref: PMID:11719700 {source="Europe PMC"} xref: PMID:11801622 "Europe PMC" xref: PMID:11801622 {source="Europe PMC"} xref: PMID:11818389 "Europe PMC" xref: PMID:11818389 {source="Europe PMC"} xref: PMID:11860617 "Europe PMC" xref: PMID:11860617 {source="Europe PMC"} xref: PMID:12197757 "Europe PMC" xref: PMID:12197757 {source="Europe PMC"} xref: PMID:12700710 "Europe PMC" xref: PMID:12700710 {source="Europe PMC"} xref: PMID:12965231 "Europe PMC" xref: PMID:12965231 {source="Europe PMC"} xref: PMID:14715938 "Europe PMC" xref: PMID:14715938 {source="Europe PMC"} xref: PMID:15183514 "Europe PMC" xref: PMID:15183514 {source="Europe PMC"} xref: PMID:15251917 "Europe PMC" xref: PMID:15251917 {source="Europe PMC"} xref: PMID:15313135 "Europe PMC" xref: PMID:15313135 {source="Europe PMC"} xref: PMID:15458549 "Europe PMC" xref: PMID:15458549 {source="Europe PMC"} xref: PMID:15707677 "Europe PMC" xref: PMID:15707677 {source="Europe PMC"} xref: PMID:15894687 "Europe PMC" xref: PMID:15894687 {source="Europe PMC"} xref: PMID:15960296 "Europe PMC" xref: PMID:15960296 {source="Europe PMC"} xref: PMID:15961264 "Europe PMC" xref: PMID:15961264 {source="Europe PMC"} xref: PMID:16496293 "Europe PMC" xref: PMID:16496293 {source="Europe PMC"} xref: PMID:16950410 "Europe PMC" xref: PMID:16950410 {source="Europe PMC"} xref: PMID:17167832 "Europe PMC" xref: PMID:17167832 {source="Europe PMC"} xref: PMID:17206646 "Europe PMC" xref: PMID:17206646 {source="Europe PMC"} xref: PMID:17438652 "Europe PMC" xref: PMID:17438652 {source="Europe PMC"} xref: PMID:17498149 "Europe PMC" xref: PMID:17498149 {source="Europe PMC"} xref: PMID:17942810 "Europe PMC" xref: PMID:17942810 {source="Europe PMC"} xref: PMID:18077004 "Europe PMC" xref: PMID:18077004 {source="Europe PMC"} xref: PMID:18311975 "Europe PMC" xref: PMID:18311975 {source="Europe PMC"} xref: PMID:18380035 "Europe PMC" xref: PMID:18380035 {source="Europe PMC"} xref: PMID:18383130 "Europe PMC" xref: PMID:18383130 {source="Europe PMC"} xref: PMID:18651995 "Europe PMC" xref: PMID:18651995 {source="Europe PMC"} xref: PMID:18922921 "Europe PMC" xref: PMID:18922921 {source="Europe PMC"} xref: PMID:19100331 "Europe PMC" xref: PMID:19100331 {source="Europe PMC"} xref: PMID:19287496 "Europe PMC" xref: PMID:19287496 {source="Europe PMC"} xref: PMID:19389046 "Europe PMC" xref: PMID:19389046 {source="Europe PMC"} xref: PMID:19465085 "Europe PMC" xref: PMID:19465085 {source="Europe PMC"} xref: PMID:20338106 "Europe PMC" xref: PMID:20338106 {source="Europe PMC"} xref: PMID:20528766 "Europe PMC" xref: PMID:20528766 {source="Europe PMC"} xref: PMID:21636612 "Europe PMC" xref: PMID:21636612 {source="Europe PMC"} xref: PMID:21822688 "Europe PMC" xref: PMID:21822688 {source="Europe PMC"} xref: PMID:21945235 "Europe PMC" xref: PMID:21945235 {source="Europe PMC"} xref: PMID:22129149 "Europe PMC" xref: PMID:22129149 {source="Europe PMC"} xref: PMID:22218403 "Europe PMC" xref: PMID:22218403 {source="Europe PMC"} xref: PMID:22331007 "Europe PMC" xref: PMID:22331007 {source="Europe PMC"} xref: PMID:22377934 "Europe PMC" xref: PMID:22377934 {source="Europe PMC"} xref: PMID:22448647 "Europe PMC" xref: PMID:22448647 {source="Europe PMC"} xref: PMID:22459798 "Europe PMC" xref: PMID:22459798 {source="Europe PMC"} xref: PMID:22529223 "Europe PMC" xref: PMID:22529223 {source="Europe PMC"} xref: PMID:22573728 "Europe PMC" xref: PMID:22573728 {source="Europe PMC"} xref: PMID:22585541 "Europe PMC" xref: PMID:22585541 {source="Europe PMC"} xref: PMID:22589423 "Europe PMC" xref: PMID:22589423 {source="Europe PMC"} xref: PMID:22770225 "Europe PMC" xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22792725 "Europe PMC" xref: PMID:22792725 {source="Europe PMC"} xref: PMID:22855884 "Europe PMC" xref: PMID:22855884 {source="Europe PMC"} xref: PMID:22930863 "Europe PMC" xref: PMID:22930863 {source="Europe PMC"} xref: PMID:22935730 "Europe PMC" xref: PMID:22935730 {source="Europe PMC"} xref: PMID:23108361 "Europe PMC" xref: PMID:23108361 {source="Europe PMC"} xref: PMID:23117126 "Europe PMC" xref: PMID:23117126 {source="Europe PMC"} xref: PMID:7097594 "Europe PMC" xref: PMID:7097594 {source="Europe PMC"} xref: PMID:7564279 "Europe PMC" xref: PMID:7564279 {source="Europe PMC"} xref: PMID:7566693 "Europe PMC" xref: PMID:7566693 {source="Europe PMC"} xref: PMID:7807214 "Europe PMC" xref: PMID:7807214 {source="Europe PMC"} xref: PMID:7896575 "Europe PMC" xref: PMID:7896575 {source="Europe PMC"} xref: PMID:8156919 "Europe PMC" xref: PMID:8156919 {source="Europe PMC"} xref: PMID:8545712 "Europe PMC" xref: PMID:8545712 {source="Europe PMC"} xref: PMID:8764340 "Europe PMC" xref: PMID:8764340 {source="Europe PMC"} xref: PMID:9203638 "Europe PMC" xref: PMID:9203638 {source="Europe PMC"} xref: PMID:9450943 "Europe PMC" xref: PMID:9450943 {source="Europe PMC"} xref: PMID:9621392 "Europe PMC" xref: PMID:9621392 {source="Europe PMC"} xref: Reaxys:82108 {source="Reaxys"} xref: Reaxys:82108 "Reaxys" xref: UM-BBD_compID:c0468 {source="UM-BBD"} xref: UM-BBD_compID:c0468 "UM-BBD" xref: Wikipedia:Nicotine is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:17688 ! (S)-nicotine relationship: has_part CHEBI:39162 ! (R)-nicotine relationship: has_role CHEBI:35474 ! anxiolytic drug relationship: has_role CHEBI:47958 ! nicotinic acetylcholine receptor agonist relationship: has_role CHEBI:49110 ! peripheral nervous system drug relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:52290 ! mitogen relationship: has_role CHEBI:59163 ! biomarker [Term] id: CHEBI:188144 name: chlorimuron-ethyl(1-) namespace: chebi_ontology subset: 2_STAR synonym: "chlorimuron-ethyl" RELATED [UniProt] is_a: CHEBI:48471 ! sulfamoylbenzoate is_a: CHEBI:76983 ! N-sulfonylurea relationship: is_conjugate_base_of CHEBI:47319 ! chlorimuron-ethyl property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14ClN4O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSWAMPCUPHPTTC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "413.810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "413.03281" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C(N=C1OC)NC([N-]S(C2=C(C=CC=C2)C(OCC)=O)(=O)=O)=O)Cl" xsd:string [Term] id: CHEBI:188147 name: urea herbicide namespace: chebi_ontology def: "An herbicide which is primarily composed of urea (also known as carbamide)." [] subset: 2_STAR synonym: "substituted urea herbicide" RELATED [SUBMITTER] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:188148 name: organophosphorus herbicide namespace: chebi_ontology def: "An herbicide which contains a chemically reactive phosphate ester side chain." [] subset: 2_STAR is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:188149 name: nitrile herbicide namespace: chebi_ontology def: "An herbicide which has a benzene ring that contains a cyanide grouping." [] subset: 2_STAR is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:188151 name: anticoagulant rodenticide namespace: chebi_ontology def: "A rodenticide which contains one or more active ingredients and when consumed by rodents results in the inability to produce essential blood-clotting factors." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Rodenticide#Anticoagulants {source="SUBMITTER"} is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:18853 name: 1,1-dimethylhydrazine namespace: chebi_ontology def: "A member of the class of hydrazines that is hydrazine substituted by two methyl groups at position 1." [] subset: 3_STAR synonym: "1,1-Dimethylhydrazin" RELATED [ChemIDplus] synonym: "1,1-dimethylhydrazine" EXACT IUPAC_NAME [IUPAC] synonym: "Dimazine" RELATED [ChemIDplus] synonym: "gem-Dimethylhydrazine" RELATED [ChemIDplus] synonym: "N,N-Dimethylhydrazine" RELATED [ChemIDplus] synonym: "unsymmetrical dimethylhydrazine" RELATED [ChEBI] xref: Beilstein:605261 {source="Beilstein"} xref: CAS:57-14-7 {source="NIST Chemistry WebBook"} xref: CAS:57-14-7 {source="ChemIDplus"} xref: CAS:57-14-7 {source="KEGG COMPOUND"} xref: KEGG:C19233 xref: PMID:13438582 {source="Europe PMC"} xref: PMID:15585150 {source="Europe PMC"} xref: PMID:17234248 {source="Europe PMC"} xref: PMID:20638496 {source="Europe PMC"} xref: PMID:5569836 {source="Europe PMC"} xref: Reaxys:605261 {source="Reaxys"} xref: Wikipedia:Unsymmetrical_dimethylhydrazine is_a: CHEBI:24631 ! hydrazines relationship: has_functional_parent CHEBI:15571 ! hydrazine relationship: has_role CHEBI:33292 ! fuel relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50905 ! teratogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHUYHJGZWVXEHW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)N" xsd:string [Term] id: CHEBI:18882 name: 1,2-dichloroethene namespace: chebi_ontology subset: 3_STAR synonym: "1,2-Dichloraethen" RELATED [ChEBI] synonym: "1,2-dichloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2-dichloroethylene" RELATED [ChemIDplus] synonym: "acetylene dichloride" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1719345 {source="ChemIDplus"} xref: CAS:540-59-0 {source="ChemIDplus"} xref: CAS:540-59-0 {source="NIST Chemistry WebBook"} xref: Gmelin:100732 {source="Gmelin"} is_a: CHEBI:23142 ! chloroethenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KFUSEUYYWQURPO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.94268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(Cl)=C([H])Cl" xsd:string [Term] id: CHEBI:18918 name: 1,3-dichloropropene namespace: chebi_ontology def: "A chloropropene with two chloro substituents at positions 1 and 3 respectively.." [] subset: 3_STAR xref: Pesticides:1\,3-dichloropropene {source="Alan Wood's Pesticides"} xref: PMID:19259476 {source="Europe PMC"} xref: Wikipedia:1\,3-dichloropropene is_a: CHEBI:23162 ! chloropropene relationship: has_role CHEBI:25491 ! nematicide [Term] id: CHEBI:18946 name: delta-lactone namespace: chebi_ontology def: "A lactone having a six-membered lactone ring." [] subset: 3_STAR synonym: "1,5-lactone" RELATED [ChEBI] synonym: "1,5-lactones" RELATED [ChEBI] synonym: "delta-lactona" RELATED [ChEBI] synonym: "delta-lactonas" RELATED [ChEBI] synonym: "delta-lactone" EXACT [ChEBI] synonym: "delta-lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone [Term] id: CHEBI:189832 name: hydroperoxy polyunsaturated fatty acid namespace: chebi_ontology def: "Any polyunsaturated fatty acid carrying one or more hydroperoxy substituents." [] subset: 3_STAR synonym: "hydroperoxy polyunsaturated fatty acids" RELATED [ChEBI] is_a: CHEBI:194321 ! hydroperoxy unsaturated fatty acid is_a: CHEBI:26208 ! polyunsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.99531" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OO[*]C(O)=O" xsd:string [Term] id: CHEBI:190295 name: inorganic calcium salt namespace: chebi_ontology def: "A calcium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:28457049 {source="SUBMITTER"} is_a: CDNO:0000015 ! dietary calcium is_a: CHEBI:24839 ! inorganic salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:190297 name: inorganic magnesium salt namespace: chebi_ontology def: "A magnesium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:16548135 is_a: CDNO:0000017 ! dietary magnesium is_a: CHEBI:24839 ! inorganic salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:190300 name: inorganic phosphate salt namespace: chebi_ontology def: "A phosphate salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:11434984 is_a: CDNO:0000018 ! dietary phosphorus is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:37853 ! phosphate salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:190303 name: inorganic potassium salt namespace: chebi_ontology def: "A potassium salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000019 ! dietary potassium is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:26218 ! potassium salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:190358 name: azobenzene namespace: chebi_ontology def: "A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds." [] subset: 3_STAR synonym: "(E)-1,2-diphenyldiazene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Diphenyldiazene" RELATED [ChemIDplus] synonym: "Azobenzide" RELATED [ChemIDplus] synonym: "Azobenzol" RELATED [ChemIDplus] synonym: "Azobisbenzene" RELATED [ChemIDplus] synonym: "Azodibenzene" RELATED [ChemIDplus] synonym: "Azodibenzeneazofume" RELATED [ChemIDplus] synonym: "Azofume" RELATED [ChemIDplus] synonym: "Benzeneazobenzene" RELATED [ChemIDplus] synonym: "Benzofume" RELATED [ChemIDplus] synonym: "Diazobenzene" RELATED [ChemIDplus] synonym: "Diphenyldiazene" RELATED [ChemIDplus] synonym: "diphenyldiazene" EXACT IUPAC_NAME [IUPAC] synonym: "Diphenyldiimide" RELATED [ChemIDplus] synonym: "trans-Azobenzene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:742609 {source="Beilstein"} xref: CAS:103-33-3 {source="ChemIDplus"} xref: CAS:103-33-3 {source="NIST Chemistry WebBook"} xref: Gmelin:4376 {source="Gmelin"} xref: PPDB:1296 is_a: CHEBI:22682 ! azobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMLAVOWQYNRWNQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.22120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc(cc1)N=Nc1ccccc1" xsd:string [Term] id: CHEBI:190420 name: inorganic iron salt namespace: chebi_ontology def: "A iron salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000026 ! dietary iron property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:191197 name: branched-chain keto acid namespace: chebi_ontology def: "An oxo carboxylic acid in which the parent hydrocarbon chain has one or more alkyl substituents. Derivatives formed from the first step in the metabolism of branched-chain amino acids and can provide important information on animal health and disease." [] subset: 3_STAR synonym: "BCKA" RELATED [ChEBI] synonym: "BCKAs" RELATED [ChEBI] synonym: "branched-chain keto acids" RELATED [ChEBI] synonym: "branched-chain ketoacid" RELATED [ChEBI] synonym: "branched-chain ketoacids" RELATED [ChEBI] xref: PMCID:PMC8181598 {source="Europe PMC"} xref: PMID:23684523 {source="Europe PMC"} xref: PMID:29324714 {source="Europe PMC"} xref: PMID:31092703 {source="Europe PMC"} xref: PMID:31416902 {source="Europe PMC"} xref: PMID:31504096 {source="Europe PMC"} xref: PMID:32784821 {source="Europe PMC"} xref: PMID:32878988 {source="Europe PMC"} xref: PMID:33522397 {source="Europe PMC"} xref: PMID:34798641 {source="Europe PMC"} xref: PMID:35075301 {source="Europe PMC"} is_a: CHEBI:25754 ! oxo carboxylic acid relationship: is_conjugate_acid_of CHEBI:191201 ! branched-chain keto acid anion [Term] id: CHEBI:191201 name: branched-chain keto acid anion namespace: chebi_ontology def: "An oxo carboxylic acid anion that is the conjugate base of branched-chain keto acid resulting from the deprotonation of the carboxy group." [] subset: 3_STAR synonym: "BCKA anion" RELATED [ChEBI] synonym: "BCKA anions" RELATED [ChEBI] synonym: "branched-chain keto acid anions" RELATED [ChEBI] synonym: "branched-chain ketoacid anion" RELATED [ChEBI] synonym: "branched-chain ketoacid anions" RELATED [ChEBI] is_a: CHEBI:35903 ! oxo carboxylic acid anion relationship: is_conjugate_base_of CHEBI:191197 ! branched-chain keto acid [Term] id: CHEBI:19168 name: 17-oxo steroid namespace: chebi_ontology def: "Any oxo steroid carrying the oxo group at position 17." [] subset: 3_STAR synonym: "17-keto steroid" RELATED [ChEBI] synonym: "17-keto steroids" RELATED [ChEBI] synonym: "17-ketosteroid" RELATED [ChEBI] synonym: "17-ketosteroids" RELATED [ChEBI] synonym: "17-oxo steroids" RELATED [ChEBI] synonym: "17-oxosteroid" RELATED [ChEBI] synonym: "17-oxosteroids" RELATED [ChEBI] synonym: "a 17-oxo steroid" RELATED [UniProt] is_a: CHEBI:35789 ! oxo steroid is_a: CHEBI:3992 ! cyclic ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H27OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "259.407" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.20619" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC12CCC3C(CCC4CCCCC34[*])C1CCC2=O" xsd:string [Term] id: CHEBI:192484 name: ciprofloxacin zwitterion namespace: chebi_ontology def: "A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:CPD-12843 xref: PMID:11202360 {source="SUBMITTER"} xref: PMID:12084502 {source="SUBMITTER"} xref: PMID:21368411 {source="Europe PMC"} xref: PMID:9303400 {source="SUBMITTER"} is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:100241 ! ciprofloxacin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18FN3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.13322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O" xsd:string [Term] id: CHEBI:192486 name: ciprofloxacin(1+) namespace: chebi_ontology def: "A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH." [] subset: 3_STAR synonym: "4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium" EXACT IUPAC_NAME [IUPAC] synonym: "ciprofloxacin cation" RELATED [ChEBI] xref: PMID:35371545 {source="Europe PMC"} is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:100241 ! ciprofloxacin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19FN3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "332.355" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "332.14050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1=CN(C2CC2)C2=CC(N3CC[NH2+]CC3)=C(F)C=C2C1=O" xsd:string [Term] id: CHEBI:192499 name: anthoxanthin is_a: CHEBI:47916 ! flavonoid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:19255 name: pyrimidine 2'-deoxyribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "pyrimidine 2'-deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:18274 ! 2'-deoxyribonucleoside is_a: CHEBI:68472 ! pyrimidine deoxyribonucleoside [Term] id: CHEBI:193111 name: methylcarbamate namespace: chebi_ontology def: "The conjugate base of methylcarbamic acid; major microspecies at pH 7.3." [] subset: 2_STAR synonym: "methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "N-methyl carbamate" RELATED [UniProt] synonym: "N-methylcarbamate" RELATED [ChEBI] xref: MetaCyc:CPD-22706 is_a: CHEBI:37022 ! amino-acid anion relationship: has_functional_parent CHEBI:13941 ! carbamate relationship: is_conjugate_base_of CHEBI:45379 ! methylcarbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFEJKYYYVXYMMS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC([O-])=O" xsd:string [Term] id: CHEBI:19331 name: (2,4,5-trichlorophenoxy)acetate namespace: chebi_ontology def: "A chlorophenoxyacetate anion obtained by deprotonation of the carboxy group of (2,4,5-trichlorophenoxy)acetic acid." [] subset: 3_STAR synonym: "(2,4,5-trichlorophenoxy)acetate" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,5-trichlorophenoxyacetate" RELATED [ChEBI] xref: Gmelin:434053 {source="Gmelin"} xref: MetaCyc:CPD-10896 xref: UM-BBD_compID:c0361 {source="UM-BBD"} is_a: CHEBI:23151 ! chlorophenoxyacetate anion relationship: is_conjugate_base_of CHEBI:27903 ! (2,4,5-trichlorophenoxy)acetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H4Cl3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SMYMJHWAQXWPDB-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.47366" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.92315" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:19351 name: (2,4-dichlorophenoxy)acetate namespace: chebi_ontology def: "A chlorophenoxyacetate anion that is the conjugate base of (2,4-dichlorophenoxy)acetic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2,4-dichlorophenoxy)acetate" EXACT IUPAC_NAME [IUPAC] synonym: "(2,4-dichlorophenoxy)acetate" EXACT [UniProt] synonym: "2,4-D" RELATED [UM-BBD] synonym: "2,4-dichlorophenoxyacetate" RELATED [ChEBI] xref: Beilstein:3614847 {source="Beilstein"} xref: Gmelin:330841 {source="Gmelin"} xref: MetaCyc:CPD-9009 xref: UM-BBD_compID:c0288 {source="UM-BBD"} is_a: CHEBI:23151 ! chlorophenoxyacetate anion relationship: is_conjugate_base_of CHEBI:28854 ! 2,4-D property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVSKIKFHRZPJSS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.03000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.96212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)COc1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:19391 name: 2,6-dibromophenol namespace: chebi_ontology def: "A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines." [] subset: 3_STAR synonym: "2,6-dibromophenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2043614 {source="Beilstein"} xref: CAS:608-33-3 {source="ChemIDplus"} xref: CAS:608-33-3 {source="NIST Chemistry WebBook"} xref: CAS:608-33-3 {source="KEGG COMPOUND"} xref: Gmelin:1006446 {source="Gmelin"} xref: KEGG:C16247 xref: UM-BBD_compID:c0533 {source="UM-BBD"} is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:33625 ! dibromophenol relationship: has_functional_parent CHEBI:37151 ! 1,3-dibromobenzene relationship: has_role CHEBI:76507 ! marine metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Br2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SSIZLKDLDKIHEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "251.90336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.86289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(Br)cccc1Br" xsd:string [Term] id: CHEBI:194240 name: omega-methyl-medium-chain fatty acid anion namespace: chebi_ontology def: "A medium-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3." [] subset: 2_STAR synonym: "an omega-methyl-medium-chain fatty acid" RELATED [UniProt] synonym: "omega-methyl-medium-chain fatty acid(1-)" RELATED [SUBMITTER] xref: PMID:17213671 {source="SUBMITTER"} is_a: CHEBI:59558 ! medium-chain fatty acid anion is_a: CHEBI:76619 ! omega-methyl fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C*C([O-])=O" xsd:string [Term] id: CHEBI:194306 name: omega-hydroxy-short-chain fatty acid namespace: chebi_ontology def: "A omega-hydroxy-fatty acid with a chain length of less than C6." [] subset: 3_STAR synonym: "omega-hydroxy short-chain fatty acid" RELATED [ChEBI] synonym: "omega-hydroxy short-chain fatty acids" RELATED [ChEBI] synonym: "omega-hydroxy-short-chain fatty acids" RELATED [ChEBI] synonym: "short-chain omega-hydroxy-fatty acid" RELATED [ChEBI] synonym: "short-chain omega-hydroxy-fatty acids" RELATED [ChEBI] is_a: CHEBI:10615 ! omega-hydroxy fatty acid is_a: CHEBI:26666 ! short-chain fatty acid [Term] id: CHEBI:19432 name: 2-acetamidofluorenes namespace: chebi_ontology def: "An ortho-fused polycyclic arene, or derivative thereof, that consists of 9H-fluorene bearing an acetamido substituent at position 2." [] subset: 3_STAR is_a: CHEBI:24059 ! fluorenes [Term] id: CHEBI:194321 name: hydroperoxy unsaturated fatty acid namespace: chebi_ontology def: "Any unsaturated fatty acid carrying one or more hydroperoxy substituents." [] subset: 3_STAR synonym: "hydroperoxy unsaturated fatty acids" RELATED [ChEBI] is_a: CHEBI:27208 ! unsaturated fatty acid is_a: CHEBI:64009 ! hydroperoxy fatty acid [Term] id: CHEBI:19503 name: propachlor namespace: chebi_ontology def: "An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent." [] subset: 3_STAR synonym: "2-Chloro-N-(1-methylethyl)-N-phenylacetamide" RELATED [ChemIDplus] synonym: "2-chloro-N-isopropyl-N-phenylacetamide" EXACT IUPAC_NAME [IUPAC] synonym: "2-chloro-N-isopropylacetanilide" RELATED [ChEBI] synonym: "alpha-chloro-N-isopropylacetanilid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Chloro-N-isopropylacetanilide" RELATED [ChemIDplus] synonym: "Bexton 4L" RELATED BRAND_NAME [ChemIDplus] synonym: "Chloressigsaeure-N-isopropylanilid" RELATED [ChemIDplus] synonym: "Kartex A" RELATED BRAND_NAME [ChemIDplus] synonym: "N-isopropyl-2-chloroacetanilide" RELATED [ChEBI] synonym: "N-isopropyl-alpha-chloroacetanilide" RELATED [UM-BBD] synonym: "Nitacid" RELATED BRAND_NAME [ChemIDplus] synonym: "Niticid" RELATED BRAND_NAME [ChemIDplus] synonym: "Propachlore" RELATED BRAND_NAME [ChemIDplus] synonym: "Ramrod 65" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:2103903 {source="ChemIDplus"} xref: CAS:1918-16-7 {source="ChemIDplus"} xref: CAS:1918-16-7 {source="NIST Chemistry WebBook"} xref: CAS:1918-16-7 {source="KEGG COMPOUND"} xref: KEGG:C18759 xref: Pesticides:propachlor {source="Alan Wood's Pesticides"} xref: PMID:22953837 {source="Europe PMC"} xref: PMID:7272464 {source="Europe PMC"} xref: PPDB:543 xref: Reaxys:2103903 {source="Reaxys"} xref: UM-BBD_compID:c0653 {source="UM-BBD"} xref: Wikipedia:Propachlor is_a: CHEBI:13248 ! anilide is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H14ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFOUDYKPLGXPGO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.68800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.07639" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N(C(=O)CCl)c1ccccc1" xsd:string [Term] id: CHEBI:19834 name: 3',5'-cyclic purine nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "3',5'-cyclic purine nucleotides" RELATED [ChEBI] is_a: CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate is_a: CHEBI:36982 ! cyclic purine nucleotide [Term] id: CHEBI:20156 name: 3-oxo-Delta(1) steroid namespace: chebi_ontology alt_id: CHEBI:13603 alt_id: CHEBI:1625 def: "Any 3-oxo steroid that contains a double bond between positions 1 and 2." [] subset: 3_STAR synonym: "3-keto-Delta(1) steroid" RELATED [ChEBI] synonym: "3-keto-Delta(1) steroids" RELATED [ChEBI] synonym: "3-oxo Delta(1)-steroid" RELATED [ChEBI] synonym: "3-oxo Delta(1)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(1) steroid" EXACT [ChEBI] synonym: "3-oxo-Delta(1) steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(1)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta1-steroid" RELATED [ChEBI] synonym: "3-oxo-Delta1-steroids" RELATED [ChEBI] synonym: "a 3-oxo-Delta(1)-steroid" RELATED [UniProt] xref: KEGG:C02941 xref: MetaCyc:3-Oxo-Delta-1-Steroids is_a: CHEBI:47788 ! 3-oxo steroid is_a: CHEBI:51689 ! enone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H27OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.20619" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(C=CC(C4)=O)C" xsd:string [Term] id: CHEBI:20313 name: 4-aminobenzenesulfonate namespace: chebi_ontology def: "An aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid." [] subset: 3_STAR synonym: "4-aminobenzenesulfonate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1876299 {source="Beilstein"} xref: Gmelin:131013 {source="Gmelin"} xref: Reaxys:1876299 {source="Reaxys"} xref: UM-BBD_compID:c0551 {source="UM-BBD"} is_a: CHEBI:22493 ! aminobenzenesulfonate relationship: has_role CHEBI:76206 ! xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:27500 ! 4-aminobenzenesulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVBSAKJJOYLTQU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.18200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.00739" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S([O-])(=O)=O" xsd:string [Term] id: CHEBI:20331 name: 4-chloroaniline namespace: chebi_ontology alt_id: CHEBI:116809 alt_id: CHEBI:34397 def: "A chloroaniline in which the chloro atom is para to the aniline amino group." [] subset: 3_STAR synonym: "1-Amino-4-chlorobenzene" RELATED [KEGG_COMPOUND] synonym: "4-Amino-1-chlorobenzene" RELATED [ChemIDplus] synonym: "4-Chloro-phenylamine" RELATED [ChEMBL] synonym: "4-Chloroaniline" EXACT [KEGG_COMPOUND] synonym: "4-chloroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "4-Chlorobenzenamine" RELATED [ChemIDplus] synonym: "p-Chloroaniline" RELATED [ChemIDplus] synonym: "para-Chloroaniline" RELATED [ChemIDplus] xref: Beilstein:471359 {source="Beilstein"} xref: CAS:106-47-8 {source="KEGG COMPOUND"} xref: CAS:106-47-8 {source="NIST Chemistry WebBook"} xref: CAS:106-47-8 {source="ChemIDplus"} xref: KEGG:C14450 xref: PMID:10848923 {source="Europe PMC"} xref: PMID:24038698 {source="Europe PMC"} xref: Reaxys:471359 {source="Reaxys"} xref: UM-BBD_compID:c0766 {source="UM-BBD"} xref: Wikipedia:4-Chloroaniline is_a: CHEBI:23130 ! chloroaniline is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6ClN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSNSCYSYFYORTR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "127.57200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "127.01888" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:20432 name: imidazolone namespace: chebi_ontology subset: 3_STAR synonym: "imidazolones" RELATED [ChEBI] is_a: CHEBI:24780 ! imidazoles [Term] id: CHEBI:20569 name: EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19)." [] subset: 3_STAR synonym: "3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor" RELATED [ChEBI] synonym: "3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase inhibitor" RELATED [ChEBI] synonym: "3-phosphoshikimate 1-carboxyvinyltransferase inhibitors" RELATED [ChEBI] synonym: "5-enolpyruvylshikimate-3-phosphate synthase inhibitor" RELATED [ChEBI] synonym: "5-enolpyruvylshikimate-3-phosphate synthase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.19 inhibitors" RELATED [ChEBI] synonym: "EPSP synthase inhibitor" RELATED [ChEBI] synonym: "EPSP synthase inhibitors" RELATED [ChEBI] synonym: "phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor" RELATED [ChEBI] synonym: "phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:20612 name: 5-methyltetrahydrofolate namespace: chebi_ontology def: "A group of heterocyclic compounds based on the 5-methyl-5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units." [] subset: 3_STAR synonym: "5-methyltetrahydrofolates" RELATED [ChEBI] is_a: CHEBI:25345 ! methyltetrahydrofolate [Term] id: CHEBI:20664 name: 5beta-cholane namespace: chebi_ontology subset: 3_STAR synonym: "5beta-cholane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2048472 {source="Beilstein"} is_a: CHEBI:35519 ! cholane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H42" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSHQKIURKJITMZ-OBUPQJQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.59028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.32865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC" xsd:string [Term] id: CHEBI:20702 name: 2-aminopurines namespace: chebi_ontology def: "Any aminopurine having the amino substituent at the 2-position." [] subset: 3_STAR synonym: "2-aminopurines" EXACT [ChEBI] is_a: CHEBI:22527 ! aminopurine [Term] id: CHEBI:20706 name: 6-aminopurines namespace: chebi_ontology def: "Any compound having 6-aminopurine (adenine) as part of its structure." [] subset: 3_STAR synonym: "6-aminopurines" EXACT [ChEBI] xref: PMID:1646334 {source="Europe PMC"} xref: PMID:18524423 {source="Europe PMC"} xref: PMID:7342604 {source="Europe PMC"} is_a: CHEBI:22527 ! aminopurine [Term] id: CHEBI:207496 name: furfuryl alcohol namespace: chebi_ontology def: "A furan bearing a hydroxymethyl substituent at the 2-position." [] subset: 3_STAR synonym: "(2-furyl)methanol" RELATED [ChemIDplus] synonym: "2-Furancarbinol" RELATED [ChemIDplus] synonym: "2-Furane-methanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Furanmethanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Furanylmethanol" RELATED [ChemIDplus] synonym: "2-Furfuryl alcohol" RELATED [ChemIDplus] synonym: "2-Furylcarbinol" RELATED [ChemIDplus] synonym: "2-Furylmethanol" RELATED [ChemIDplus] synonym: "2-Hydroxymethylfuran" RELATED [ChemIDplus] synonym: "2-hydroxymethylfurane" RELATED [NIST_Chemistry_WebBook] synonym: "5-Hydroxymethylfuran" RELATED [ChemIDplus] synonym: "alpha-furylcarbinol" RELATED [ChemIDplus] synonym: "Furan-2-yl-methanol" RELATED [ChEMBL] synonym: "furan-2-ylmethanol" EXACT IUPAC_NAME [IUPAC] synonym: "Furfural alcohol" RELATED [ChemIDplus] synonym: "Furfuranol" RELATED [ChemIDplus] synonym: "Furylcarbinol" RELATED [ChemIDplus] xref: Beilstein:106291 {source="Beilstein"} xref: CAS:98-00-0 {source="NIST Chemistry WebBook"} xref: CAS:98-00-0 {source="ChemIDplus"} xref: HMDB:HMDB0013742 xref: KEGG:C20441 xref: MetaCyc:CPD-14102 xref: PMID:15081000 {source="ChEMBL"} xref: PMID:22648683 {source="Europe PMC"} xref: PMID:22785445 {source="Europe PMC"} xref: PMID:23466497 {source="Europe PMC"} xref: PMID:24215289 {source="Europe PMC"} xref: PMID:2917974 {source="Europe PMC"} xref: Reaxys:106291 {source="Reaxys"} xref: Wikipedia:Furfuryl_alcohol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24129 ! furans relationship: has_role CHEBI:77523 ! Maillard reaction product property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPFVYQJUAUNWIW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.09990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCc1ccco1" xsd:string [Term] id: CHEBI:20857 name: C-glycosyl compound namespace: chebi_ontology def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond." [] subset: 3_STAR synonym: "C-glycoside" RELATED [ChEBI] synonym: "C-glycosides" RELATED [ChEBI] synonym: "C-glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:63161 ! glycosyl compound [Term] id: CHEBI:21601 name: N-acetyl-D-hexosamine namespace: chebi_ontology def: "Any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine." [] subset: 3_STAR synonym: "N-acetyl-D-hexosamine" EXACT [UniProt] synonym: "N-acetyl-D-hexosamines" RELATED [ChEBI] synonym: "N-acetylhexosamine" RELATED [ChEBI] synonym: "N-acetylhexosamines" RELATED [ChEBI] is_a: CHEBI:7203 ! N-acetylhexosamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVRNDRQMDRJTHS-BKJPEWSUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.08994" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O" xsd:string [Term] id: CHEBI:21638 name: N-acylglucosamine namespace: chebi_ontology subset: 3_STAR synonym: "N-acylglucosamine" EXACT [ChEBI] synonym: "N-acylglucosamines" RELATED [ChEBI] is_a: CHEBI:21656 ! N-acyl-hexosamine is_a: CHEBI:24271 ! glucosamines [Term] id: CHEBI:21644 name: N-acyl-L-amino acid namespace: chebi_ontology def: "Any N-acylamino acid having L-configuration." [] subset: 3_STAR is_a: CHEBI:51569 ! N-acyl-amino acid relationship: is_enantiomer_of CHEBI:15778 ! N-acyl-D-amino acid [Term] id: CHEBI:21656 name: N-acyl-hexosamine namespace: chebi_ontology subset: 3_STAR synonym: "N-acyl-hexosamine" EXACT [ChEBI] synonym: "N-acyl-hexosamines" RELATED [ChEBI] is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:21731 name: N-glycosyl compound namespace: chebi_ontology def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond." [] subset: 3_STAR synonym: "glycosylamine" EXACT IUPAC_NAME [IUPAC] synonym: "glycosylamines" RELATED [IUPAC] synonym: "N-glycoside" RELATED [ChEBI] synonym: "N-glycosides" RELATED [ChEBI] synonym: "N-glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:63161 ! glycosyl compound [Term] id: CHEBI:21759 name: N-methyl-N'-nitro-N-nitrosoguanidine namespace: chebi_ontology alt_id: CHEBI:34872 def: "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position" [] subset: 3_STAR synonym: "1-Methyl-1-nitroso-3-nitroguanidine" RELATED [ChemIDplus] synonym: "1-Methyl-3-nitro-1-nitrosoguanidine" RELATED [KEGG_COMPOUND] synonym: "1-methyl-3-nitro-1-nitrosoguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1-Nitroso-3-nitro-1-methylguanidine" RELATED [ChemIDplus] synonym: "Methylnitronitrosoguanidine" RELATED [KEGG_COMPOUND] synonym: "MNG" RELATED [ChemIDplus] synonym: "MNNG" RELATED [KEGG_COMPOUND] synonym: "MNNG" RELATED [ChemIDplus] synonym: "N'-Nitro-N-nitroso-N-methylguanidine" RELATED [ChemIDplus] synonym: "N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide" RELATED [NIST_Chemistry_WebBook] synonym: "N-Methyl-N'-nitro-N-nitrosoguanidine" EXACT [KEGG_COMPOUND] synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChEBI] synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChemIDplus] synonym: "N-Methyl-N-nitrosonitroguanidin" RELATED [ChEBI] synonym: "N-Nitroso-N-methyl-N'-nitroguanidine" RELATED [ChemIDplus] xref: Beilstein:1779490 {source="Beilstein"} xref: CAS:70-25-7 {source="NIST Chemistry WebBook"} xref: CAS:70-25-7 {source="KEGG COMPOUND"} xref: CAS:70-25-7 {source="ChemIDplus"} xref: KEGG:C14592 is_a: CHEBI:35800 ! nitroso compound relationship: has_functional_parent CHEBI:39179 ! nitroguanidine relationship: has_role CHEBI:22333 ! alkylating agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZUNGTLZRAYYDE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.09280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.03924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(N=O)C(=N)N[N+]([O-])=O" xsd:string [Term] id: CHEBI:22063 name: sulfoxide namespace: chebi_ontology alt_id: CHEBI:35813 def: "An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H)." [] subset: 3_STAR synonym: "S-oxides" RELATED [ChEBI] synonym: "sulfoxide" EXACT [ChEBI] synonym: "sulfoxides" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:22152 name: 2-cis-abscisic acid namespace: chebi_ontology def: "A member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry." [] subset: 3_STAR synonym: "(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "abscisic acid" RELATED [ChEBI] synonym: "Abscisinsaeure" RELATED [ChEBI] synonym: "Abszisinsaeure" RELATED [ChEBI] synonym: "acide abscissique" RELATED [ChEBI] synonym: "acido abscisico" RELATED [ChEBI] xref: Beilstein:2698956 {source="Beilstein"} is_a: CHEBI:62431 ! abscisic acids relationship: has_role CHEBI:73191 ! abscisic acid receptor agonist relationship: is_conjugate_acid_of CHEBI:62071 ! 2-cis-abscisate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H20O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLIDBLDQVAYHNE-LXGGSRJLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.31690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.13616" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1(O)C(C)=CC(=O)CC1(C)C)=C\\C(O)=O" xsd:string [Term] id: CHEBI:22153 name: acaricide namespace: chebi_ontology def: "A substance used to destroy pests of the subclass Acari (mites and ticks)." [] subset: 3_STAR synonym: "acaricides" RELATED [ChEBI] synonym: "Akarizid" RELATED [ChEBI] synonym: "Akarizide" RELATED [ChEBI] synonym: "miticide" RELATED [ChEBI] xref: Wikipedia:Acaricide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:22160 name: acetamides namespace: chebi_ontology def: "Compounds with the general formula RNHC(=O)CH3." [] subset: 3_STAR is_a: CHEBI:37622 ! carboxamide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22180 name: EC 2.2.1.6 (acetolactate synthase) inhibitor namespace: chebi_ontology def: "An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6)." [] subset: 3_STAR synonym: "acetohydroxy acid synthetase inhibitor" RELATED [ChEBI] synonym: "acetohydroxy acid synthetase inhibitors" RELATED [ChEBI] synonym: "acetohydroxyacid synthase inhibitor" RELATED [ChEBI] synonym: "acetohydroxyacid synthase inhibitors" RELATED [ChEBI] synonym: "acetolactate pyruvate-lyase (carboxylating) inhibitor" RELATED [ChEBI] synonym: "acetolactate pyruvate-lyase (carboxylating) inhibitors" RELATED [ChEBI] synonym: "acetolactate synthase (EC 2.2.1.6) inhibitor" RELATED [ChEBI] synonym: "acetolactate synthase (EC 2.2.1.6) inhibitors" RELATED [ChEBI] synonym: "acetolactate synthase inhibitor" RELATED [ChEBI] synonym: "acetolactate synthase inhibitors" RELATED [ChEBI] synonym: "acetolactic synthetase inhibitor" RELATED [ChEBI] synonym: "acetolactic synthetase inhibitors" RELATED [ChEBI] synonym: "alpha-acetohydroxy acid synthetase inhibitor" RELATED [ChEBI] synonym: "alpha-acetohydroxy acid synthetase inhibitors" RELATED [ChEBI] synonym: "alpha-acetohydroxyacid synthase inhibitor" RELATED [ChEBI] synonym: "alpha-acetohydroxyacid synthase inhibitors" RELATED [ChEBI] synonym: "alpha-acetolactate synthase inhibitor" RELATED [ChEBI] synonym: "alpha-acetolactate synthase inhibitors" RELATED [ChEBI] synonym: "alpha-acetolactate synthetase inhibitor" RELATED [ChEBI] synonym: "alpha-acetolactate synthetase inhibitors" RELATED [ChEBI] synonym: "EC 2.2.1.6 (acetolactate synthase) inhibitors" RELATED [ChEBI] synonym: "EC 2.2.1.6 inhibitor" RELATED [ChEBI] synonym: "EC 2.2.1.6 inhibitors" RELATED [ChEBI] synonym: "pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitor" RELATED [ChEBI] synonym: "pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitors" RELATED [ChEBI] xref: Wikipedia:Acetolactate_synthase is_a: CHEBI:76876 ! EC 2.2.1.* (transketolase/transaldolase) inhibitor [Term] id: CHEBI:22216 name: acrylamides namespace: chebi_ontology def: "An enamide which is acrylamide or a derivative of acrylamide obtained by replacement of one or more of its hydrogens." [] subset: 3_STAR xref: PMID:20111795 {source="Europe PMC"} xref: PMID:22214428 {source="Europe PMC"} is_a: CHEBI:51751 ! enamide [Term] id: CHEBI:22221 name: acyl group namespace: chebi_ontology def: "An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids." [] subset: 3_STAR synonym: "acyl group" EXACT [IUPAC] synonym: "acyl groups" RELATED [ChEBI] synonym: "alkanoyl" EXACT IUPAC_NAME [IUPAC] synonym: "alkanoyl group" RELATED [ChEBI] synonym: "groupe acyle" RELATED [IUPAC] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:22256 name: adenosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine phosphates" RELATED [ChEBI] is_a: CHEBI:61296 ! adenyl ribonucleotide relationship: has_functional_parent CHEBI:16335 ! adenosine [Term] id: CHEBI:22260 name: adenosines namespace: chebi_ontology def: "Any purine ribonucleoside that is a derivative of adenosine." [] subset: 3_STAR is_a: CHEBI:26399 ! purine ribonucleoside relationship: has_functional_parent CHEBI:16708 ! adenine [Term] id: CHEBI:22271 name: aflatoxin namespace: chebi_ontology def: "Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins" [] subset: 3_STAR synonym: "aflatoxins" RELATED [ChEBI] xref: PMID:11104412 {source="Europe PMC"} xref: PMID:18757582 {source="Europe PMC"} xref: PMID:20507532 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PMID:25112578 {source="Europe PMC"} xref: PMID:25274127 {source="Europe PMC"} xref: PMID:25339440 {source="Europe PMC"} xref: PMID:25466118 {source="Europe PMC"} xref: Wikipedia:Aflatoxin is_a: CHEBI:48210 ! cyclopentafurofurochromene relationship: has_role CHEBI:25442 ! mycotoxin [Term] id: CHEBI:22278 name: alanine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of alanine by a heteroatom. The definition normally excludes peptides containing alanine residues." [] subset: 3_STAR is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:16449 ! alanine [Term] id: CHEBI:22297 name: alditol phosphate namespace: chebi_ontology subset: 3_STAR synonym: "alditol phosphate" EXACT [ChEBI] synonym: "alditol phosphates" RELATED [ChEBI] is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63423 ! alditol derivative [Term] id: CHEBI:22307 name: aldoxime namespace: chebi_ontology def: "Oximes of aldehydes RCH=NOH." [] subset: 3_STAR synonym: "aldoxime" EXACT [ChEBI] synonym: "aldoximes" EXACT IUPAC_NAME [IUPAC] synonym: "aldoximes" RELATED [ChEBI] xref: KEGG:C02658 is_a: CHEBI:25750 ! oxime property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([*])=NO" xsd:string [Term] id: CHEBI:22313 name: alkaline earth metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth metal" RELATED [ChEBI] synonym: "alkaline earth metals" EXACT IUPAC_NAME [IUPAC] synonym: "alkaline-earth metal" RELATED [ChEBI] synonym: "alkaline-earth metals" RELATED [ChEBI] synonym: "Erdalkalimetall" RELATED [ChEBI] synonym: "Erdalkalimetalle" RELATED [ChEBI] synonym: "metal alcalino-terreux" RELATED [ChEBI] synonym: "metal alcalinoterreo" RELATED [ChEBI] synonym: "metales alcalinoterreos" RELATED [ChEBI] synonym: "metaux alcalino-terreux" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22314 name: alkali metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal" RELATED [ChEBI] synonym: "alkali metals" EXACT IUPAC_NAME [IUPAC] synonym: "Alkalimetall" RELATED [ChEBI] synonym: "Alkalimetalle" RELATED [ChEBI] synonym: "metal alcalin" RELATED [ChEBI] synonym: "metal alcalino" RELATED [ChEBI] synonym: "metales alcalinos" RELATED [ChEBI] synonym: "metaux alcalins" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom is_a: CHEBI:33521 ! metal atom is_a: CHEBI:33559 ! s-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22315 name: alkaloid namespace: chebi_ontology def: "Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids." [] subset: 3_STAR synonym: "alcaloide" RELATED [ChEBI] synonym: "alcaloides" RELATED [ChEBI] synonym: "Alkaloid" EXACT [ChEBI] synonym: "Alkaloide" RELATED [ChEBI] synonym: "alkaloids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Alkaloid is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:72544 ! flavonoids relationship: has_role CHEBI:25212 ! metabolite property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22323 name: alkyl group namespace: chebi_ontology def: "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." [] subset: 3_STAR synonym: "alkyl group" EXACT IUPAC_NAME [IUPAC] synonym: "alkyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "groupe alkyle" RELATED [IUPAC] synonym: "grupo alquilo" RELATED [IUPAC] synonym: "grupos alquilo" RELATED [IUPAC] is_a: CHEBI:33248 ! hydrocarbyl group relationship: is_substituent_group_from CHEBI:18310 ! alkane [Term] id: CHEBI:22324 name: alkyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "alkyl phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:22327 name: aliphatic sulfide namespace: chebi_ontology subset: 3_STAR synonym: "aliphatic thioether" RELATED [ChEBI] synonym: "aliphatic thioethers" RELATED [ChEBI] is_a: CHEBI:16385 ! organic sulfide [Term] id: CHEBI:22331 name: alkylamines namespace: chebi_ontology def: "Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups." [] subset: 3_STAR is_a: CHEBI:32952 ! amine [Term] id: CHEBI:22333 name: alkylating agent namespace: chebi_ontology def: "Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases." [] subset: 3_STAR is_a: CHEBI:25435 ! mutagen [Term] id: CHEBI:22339 name: alkyne namespace: chebi_ontology def: "Acyclic branched or unbranched hydrocarbons having a carbon-carbon triple bond and the general formula CnH2n-2, RC#CR." [] subset: 3_STAR synonym: "alkyne" EXACT IUPAC_NAME [IUPAC] synonym: "alkynes" EXACT IUPAC_NAME [IUPAC] synonym: "alkynes" RELATED [ChEBI] is_a: CHEBI:33650 ! acyclic acetylene [Term] id: CHEBI:22455 name: alpha-hydroxynitrile namespace: chebi_ontology def: "A hydroxynitrile in which the hydroxy group is located on the carbon alpha to the carbonitrile group." [] subset: 3_STAR synonym: "alpha-hydroxynitriles" RELATED [ChEBI] is_a: CHEBI:24730 ! hydroxynitrile [Term] id: CHEBI:22470 name: alpha-tocopherol name: α-tocopherol namespace: chebi_ontology def: "A tocopherol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a 4,8,12-trimethyltridecyl group at position 2." [] comment: LanguaL term definition: Food additive. subset: 3_STAR synonym: "(+-)-alpha-tocopherol" RELATED [ChEBI] synonym: "(+-)-alpha-tocopherol" RELATED [ChemIDplus] synonym: "2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol" RELATED [ChemIDplus] synonym: "all-rac-alpha-tocopherol" RELATED [ChEBI] synonym: "alpha-tocopherol" EXACT [] synonym: "dl-alpha-tocopherol" RELATED [ChemIDplus] synonym: "E 307" RELATED [ChEBI] synonym: "E-307" RELATED [ChEBI] synonym: "E307" RELATED [ChEBI] synonym: "rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8176170 {source="Beilstein"} xref: CAS:10191-41-0 {source="ChemIDplus"} xref: Codex:\:307 xref: Europe:\:307 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2986 xref: KEGG:D02332 xref: PMID:23949732 {source="Europe PMC"} xref: PMID:24683365 {source="Europe PMC"} xref: Wikipedia:Alpha-Tocopherol is_a: CHEBI:27013 ! tocopherol is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77962 ! food antioxidant property_value: hasSynonym "dl-alpha-tocopherol" xsd:string property_value: hasSynonym "tocopherols" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H50O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.707" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.38108" xsd:string property_value: IAO:0000118 "alpha-tocopherol" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22472 name: ametryn namespace: chebi_ontology def: "A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively." [] subset: 3_STAR synonym: "2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-ethylamino-4-isopropylamino-6-methylmercapto-s-triazine" RELATED [ChemIDplus] synonym: "2-methylthio-4-ethylamino-6-isopropylamino-s-triazine" RELATED [ChemIDplus] synonym: "Ametrex" RELATED [ChemIDplus] synonym: "ametryn" EXACT [UM-BBD] synonym: "ametryne" RELATED [ChemIDplus] synonym: "Evik" RELATED [ChemIDplus] synonym: "Gesapax" RELATED [ChemIDplus] synonym: "N(2)-ethyl-6-(methylsulfanyl)-N(4)-(propan-2-yl)-1,3,5-triazine-2,4-diamine" RELATED [IUPAC] synonym: "N(2)-ethyl-N(4)-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine" RELATED [IUPAC] synonym: "N-ethyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "N-ethyl-N'-(1-methylethyl)-6-(methylthio)-2,4-diaminetriazine" RELATED [UM-BBD] synonym: "N-ethyl-N'-isopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine" RELATED [ChEBI] xref: Beilstein:613099 {source="Beilstein"} xref: CAS:834-12-8 {source="KEGG COMPOUND"} xref: CAS:834-12-8 {source="ChemIDplus"} xref: CAS:834-12-8 {source="NIST Chemistry WebBook"} xref: KEGG:C18700 xref: MetaCyc:CPD-9343 xref: PDBeChem:RYN xref: Pesticides:ametryn {source="Alan Wood's Pesticides"} xref: PMID:21626650 {source="Europe PMC"} xref: PMID:23566464 {source="Europe PMC"} xref: PMID:24413480 {source="Europe PMC"} xref: PMID:24579518 {source="Europe PMC"} xref: PMID:24757962 {source="Europe PMC"} xref: PPDB:27 xref: Reaxys:613099 {source="Reaxys"} xref: UM-BBD_compID:c0260 {source="UM-BBD"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38174 ! methylthio-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17N5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQVYBGPQFYCBGX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.33098" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.12047" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NC(C)C)nc(SC)n1" xsd:string [Term] id: CHEBI:22475 name: amino acid amide namespace: chebi_ontology def: "An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group." [] subset: 3_STAR is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:22478 name: amino alcohol namespace: chebi_ontology def: "An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group." [] subset: 3_STAR synonym: "amino alcohols" RELATED [ChEBI] synonym: "aminoalcohol" RELATED [ChEBI] synonym: "aminoalcohols" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:22479 name: amino cyclitol glycoside namespace: chebi_ontology subset: 3_STAR synonym: "amino cyclitol glycoside" EXACT [ChEBI] synonym: "amino cyclitol glycosides" RELATED [ChEBI] is_a: CHEBI:23451 ! cyclitol is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:22492 name: amino aldehyde namespace: chebi_ontology def: "Any aldehyde which contains an amino group." [] subset: 3_STAR xref: PMID:17105264 {source="Europe PMC"} is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:22493 name: aminobenzenesulfonate namespace: chebi_ontology subset: 3_STAR synonym: "aminobenzenesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "aminobenzenesulfonates" RELATED [ChEBI] is_a: CHEBI:22713 ! arenesulfonate oxoanion is_a: CHEBI:48975 ! substituted aniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.183" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.00684" xsd:string [Term] id: CHEBI:22494 name: aminobenzoate namespace: chebi_ontology subset: 3_STAR synonym: "aminobenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates relationship: is_conjugate_base_of CHEBI:22495 ! aminobenzoic acid [Term] id: CHEBI:22495 name: aminobenzoic acid namespace: chebi_ontology subset: 3_STAR synonym: "Aminobenzoesaeure" RELATED [ChEBI] synonym: "aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33856 ! aromatic amino acid relationship: is_conjugate_acid_of CHEBI:22494 ! aminobenzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string [Term] id: CHEBI:22496 name: aminobiphenyl namespace: chebi_ontology def: "Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group." [] subset: 3_STAR is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:50471 ! primary arylamine [Term] id: CHEBI:22506 name: aminoglycan namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycans" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:65212 ! polysaccharide derivative [Term] id: CHEBI:22507 name: aminoglycoside antibiotic namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycoside antibiotics" RELATED [ChEBI] is_a: CHEBI:23007 ! carbohydrate-containing antibiotic is_a: CHEBI:47779 ! aminoglycoside [Term] id: CHEBI:22512 name: aminoimidazole namespace: chebi_ontology def: "Any member of the class of imidazoles carrying at least one amino substituent." [] subset: 3_STAR synonym: "aminoimidazoles" RELATED [ChEBI] is_a: CHEBI:24780 ! imidazoles [Term] id: CHEBI:22527 name: aminopurine namespace: chebi_ontology def: "Any purine having at least one amino substituent." [] subset: 3_STAR synonym: "aminopurines" RELATED [ChEBI] is_a: CHEBI:26401 ! purines [Term] id: CHEBI:22531 name: aminotoluene namespace: chebi_ontology def: "Any member of the class of toluenes carrying one or more amino groups." [] subset: 3_STAR is_a: CHEBI:27024 ! toluenes is_a: CHEBI:48975 ! substituted aniline [Term] id: CHEBI:22562 name: anilines namespace: chebi_ontology def: "Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:22563 name: anion namespace: chebi_ontology def: "A monoatomic or polyatomic species having one or more elementary charges of the electron." [] subset: 3_STAR synonym: "Anion" EXACT [ChEBI] synonym: "anion" EXACT IUPAC_NAME [IUPAC] synonym: "anion" EXACT [ChEBI] synonym: "Anionen" RELATED [ChEBI] synonym: "aniones" RELATED [ChEBI] synonym: "anions" RELATED [IUPAC] is_a: CHEBI:24870 ! ion [Term] id: CHEBI:22580 name: anthraquinone namespace: chebi_ontology subset: 3_STAR synonym: "anthracenequinones" RELATED [ChEBI] synonym: "anthraquinones" RELATED [ChEBI] is_a: CHEBI:46955 ! anthracenes is_a: CHEBI:51285 ! acenoquinone [Term] id: CHEBI:22583 name: antifeedant namespace: chebi_ontology def: "A substance that prevents pests from feeding." [] subset: 3_STAR synonym: "antifeedants" RELATED [ChEBI] is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:22586 name: antioxidant namespace: chebi_ontology def: "A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides." [] subset: 3_STAR synonym: "antioxidants" RELATED [ChEBI] synonym: "antioxydant" RELATED [ChEBI] synonym: "antoxidant" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22587 name: antiviral agent namespace: chebi_ontology def: "A substance that destroys or inhibits replication of viruses." [] subset: 3_STAR synonym: "anti-viral agent" RELATED [ChEBI] synonym: "anti-viral agents" RELATED [ChEBI] synonym: "antiviral" RELATED [ChEBI] synonym: "antiviral agents" RELATED [ChEBI] synonym: "antivirals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:22601 name: arabinoside namespace: chebi_ontology subset: 3_STAR synonym: "arabinoside" EXACT [ChEBI] synonym: "arabinosides" RELATED [ChEBI] is_a: CHEBI:35312 ! pentoside [Term] id: CHEBI:22632 name: arsenic molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "arsenic compounds" RELATED [ChEBI] synonym: "arsenic molecular entities" RELATED [ChEBI] synonym: "arsenic molecular entity" EXACT [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:27563 ! arsenic atom [Term] id: CHEBI:22633 name: arsenite ion namespace: chebi_ontology def: "An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid." [] subset: 3_STAR synonym: "arsenite anions" RELATED [ChEBI] synonym: "arsenite ions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:35776 ! arsenic oxoanion [Term] id: CHEBI:22637 name: arsine namespace: chebi_ontology def: "Arsane (AsH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RAsH2, R2AsH, R3As (R =/= H) are called primary, secondary and tertiary arsines, respectively. A specific arsine is preferably named as a substituted arsane." [] subset: 3_STAR synonym: "arsine" EXACT IUPAC_NAME [IUPAC] synonym: "arsines" EXACT IUPAC_NAME [IUPAC] synonym: "arsines" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity [Term] id: CHEBI:22638 name: organoarsonic acid namespace: chebi_ontology def: "Any organoarsenic compound that is the As-organyl derivative of arsonic acid." [] subset: 3_STAR synonym: "organoarsonic acids" RELATED [ChEBI] is_a: CHEBI:33406 ! organoarsenic compound relationship: has_functional_parent CHEBI:29850 ! arsonic acid [Term] id: CHEBI:22644 name: arylalkylamine namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22331 ! alkylamines [Term] id: CHEBI:22645 name: arenecarboxamide namespace: chebi_ontology def: "A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system." [] subset: 3_STAR synonym: "arenecarboxamides" RELATED [ChEBI] is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:62733 ! aromatic amide [Term] id: CHEBI:22651 name: ascorbate namespace: chebi_ontology def: "A ketoaldonate that is the conjugate base of ascorbic acid." [] subset: 3_STAR is_a: CHEBI:24961 ! ketoaldonate relationship: has_role CHEBI:22586 ! antioxidant relationship: is_conjugate_base_of CHEBI:22652 ! ascorbic acid [Term] id: CHEBI:22652 name: ascorbic acid namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant, flour treatment agent. subset: 3_STAR synonym: "vitamin c" EXACT [] xref: Codex:\:300 xref: Europe:\:300 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3005 is_a: CHEBI:24963 ! ketoaldonic acid is_a: FOODON:03412972 ! food additive relationship: is_conjugate_acid_of CHEBI:22651 ! ascorbate property_value: hasSynonym "ascorbic acid, l-" xsd:string property_value: hasSynonym "l-ascorbic acid" xsd:string property_value: IAO:0000118 "ascorbic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22658 name: aspartate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class." [] subset: 3_STAR synonym: "aspartate family amino acids" RELATED [ChEBI] synonym: "aspartic acid family amino acid" RELATED [ChEBI] synonym: "aspartic acid family amino acids" RELATED [ChEBI] synonym: "oxaloacetate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate family amino acids" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acid" RELATED [ChEBI] synonym: "oxaloacetate/aspartate family amino acids" RELATED [ChEBI] xref: PMID:4386082 {source="Europe PMC"} xref: PMID:4394351 {source="Europe PMC"} xref: PMID:4721772 {source="Europe PMC"} xref: PMID:5016260 {source="Europe PMC"} xref: PMID:5074276 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:22676 name: auxin namespace: chebi_ontology def: "Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, \"to grow\")." [] subset: 3_STAR synonym: "auxins" RELATED [ChEBI] xref: Wikipedia:Auxin is_a: CHEBI:37848 ! plant hormone [Term] id: CHEBI:22681 name: aziridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:22682 name: azobenzenes namespace: chebi_ontology def: "Any member of the wide class of molecules that share the core azobenzene structure, comprising two phenyl rings linked by a N=N double bond, which may have different functional groups extending from the rings." [] subset: 3_STAR synonym: "azobenzenes" EXACT [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:37533 ! azo compound [Term] id: CHEBI:22693 name: barbiturates namespace: chebi_ontology def: "Members of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure." [] subset: 3_STAR synonym: "barbiturates" EXACT IUPAC_NAME [IUPAC] synonym: "barbituric acids" RELATED [ChEBI] is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:50268 ! GABA modulator [Term] id: CHEBI:22695 name: base namespace: chebi_ontology def: "A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base)." [] subset: 3_STAR synonym: "Base" EXACT [ChEBI] synonym: "base" EXACT [ChEBI] synonym: "base" EXACT IUPAC_NAME [IUPAC] synonym: "Base1" RELATED [KEGG_COMPOUND] synonym: "Base2" RELATED [KEGG_COMPOUND] synonym: "Basen" RELATED [ChEBI] synonym: "bases" RELATED [ChEBI] synonym: "Nucleobase" RELATED [KEGG_COMPOUND] xref: KEGG:C00701 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:22702 name: benzamides namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22645 ! arenecarboxamide [Term] id: CHEBI:22707 name: benzenetriol namespace: chebi_ontology def: "A triol in which three hydroxy groups are substituted onto a benzene ring." [] subset: 3_STAR synonym: "benzenetriols" RELATED [ChEBI] synonym: "trihydroxybenzenes" RELATED [ChEBI] is_a: CHEBI:27136 ! triol is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:22712 name: benzenes namespace: chebi_ontology def: "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22713 name: arenesulfonate oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "arenesulfonates" RELATED [ChEBI] is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:33555 ! arenesulfonic acid [Term] id: CHEBI:22715 name: benzimidazoles namespace: chebi_ontology def: "An organic heterocyclic compound containing a benzene ring fused to an imidazole ring." [] subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22718 name: benzoates namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid." [] subset: 3_STAR synonym: "benzoate anion" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:91007 ! aromatic carboxylate [Term] id: CHEBI:22720 name: benzodiazepine namespace: chebi_ontology def: "A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring." [] subset: 3_STAR synonym: "benzodiazepines" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound relationship: has_role CHEBI:50268 ! GABA modulator [Term] id: CHEBI:22723 name: benzoic acids namespace: chebi_ontology def: "Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33859 ! aromatic carboxylic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22726 name: benzophenones namespace: chebi_ontology def: "Any aromatic ketone in which the carbonyl group is bonded to 2 phenyl groups." [] subset: 3_STAR is_a: CHEBI:76224 ! aromatic ketone [Term] id: CHEBI:22727 name: benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "benzopyrans" RELATED [ChEBI] xref: Wikipedia:Benzopyran is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38166 ! organic heteropolycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22728 name: benzopyrrole namespace: chebi_ontology subset: 3_STAR synonym: "benzopyrroles" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38180 ! polycyclic heteroarene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22729 name: benzoquinones namespace: chebi_ontology def: "Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives." [] subset: 3_STAR is_a: CHEBI:36141 ! quinone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22744 name: benzyl group namespace: chebi_ontology subset: 3_STAR synonym: "benzyl" EXACT IUPAC_NAME [IUPAC] synonym: "Bn" RELATED [ChEBI] synonym: "C6H5-CH2-" RELATED [IUPAC] synonym: "phenylalanine side-chain" RELATED [ChEBI] synonym: "phenylmethyl" RELATED [IUPAC] is_a: CHEBI:33452 ! benzylic group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17578 ! toluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "91.13048" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.05478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=CC=C1)C*" xsd:string [Term] id: CHEBI:22798 name: beta-D-glucoside namespace: chebi_ontology alt_id: CHEBI:10400 def: "Any D-glucoside in which the anomeric centre has beta-configuration." [] subset: 3_STAR synonym: "a beta-D-glucoside" RELATED [UniProt] synonym: "beta-D-glucoside" EXACT [ChEBI] synonym: "beta-D-glucosides" RELATED [ChEBI] xref: KEGG:C00963 is_a: CHEBI:35436 ! D-glucoside is_a: CHEBI:60980 ! beta-glucoside relationship: has_functional_parent CHEBI:15903 ! beta-D-glucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O6R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H]1(O[C@H]([C@H](O)[C@H]([C@@H]1O)O)O*)CO" xsd:string [Term] id: CHEBI:22823 name: beta-alanine derivative namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16958 ! beta-alanine [Term] id: CHEBI:22888 name: biphenyls namespace: chebi_ontology def: "Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:36820 ! ring assembly is_a: CHEBI:64459 ! biaryl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22901 name: bisphenol namespace: chebi_ontology def: "By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom." [] subset: 3_STAR synonym: "bisphenols" RELATED [ChEBI] xref: Wikipedia:Bisphenol is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:22907 name: bleomycin namespace: chebi_ontology alt_id: CHEBI:584977 def: "A glycopeptide produced by the bacterium Streptomyces verticillus. The term, 'bleomycin' refers to a family of structurally related compounds. When used as an anti-cancer agent, the chemotherapeutical forms are primarily bleomycin A2 and B2." [] subset: 3_STAR xref: DrugBank:DB00290 xref: Wikipedia:Bleomycin is_a: CHEBI:23089 ! chelate-forming peptide is_a: CHEBI:24396 ! glycopeptide [Term] id: CHEBI:22912 name: bornane monoterpenoid namespace: chebi_ontology subset: 3_STAR synonym: "bornane monoterpenoids" RELATED [ChEBI] is_a: CHEBI:25409 ! monoterpenoid relationship: has_parent_hydride CHEBI:35783 ! bornane [Term] id: CHEBI:22916 name: boron molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "boron compounds" RELATED [ChEBI] synonym: "boron molecular entities" RELATED [ChEBI] synonym: "boron molecular entity" EXACT [ChEBI] is_a: CHEBI:33581 ! boron group molecular entity relationship: has_part CHEBI:27560 ! boron atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22917 name: phytogenic insecticide namespace: chebi_ontology def: "An insecticide compound naturally occurring in plants." [] subset: 3_STAR synonym: "botanical insecticide" RELATED [ChEBI] synonym: "botanical insecticides" RELATED [ChEBI] synonym: "phytogenic insecticides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:22918 name: branched-chain amino acid namespace: chebi_ontology def: "Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents" [] subset: 3_STAR synonym: "branched chain amino acids" RELATED [ChEBI] is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63471 ! branched-chain amino-acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22921 name: brassinosteroid namespace: chebi_ontology subset: 3_STAR synonym: "brassinosteroids" RELATED [ChEBI] xref: Wikipedia:Brassinosteroid is_a: CHEBI:26124 ! phytosteroid [Term] id: CHEBI:22923 name: bromate salt namespace: chebi_ontology def: "Any salt that has chlorate, [BrO3](-), as the anionic component." [] subset: 3_STAR synonym: "bromate salts" RELATED [ChEBI] synonym: "bromates" RELATED [ChEBI] synonym: "Bromatsalz" RELATED [ChEBI] synonym: "Bromatsalze" RELATED [ChEBI] is_a: CHEBI:24866 ! salt relationship: has_part CHEBI:29223 ! bromate [Term] id: CHEBI:22926 name: bromohydrocarbon namespace: chebi_ontology def: "A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom." [] subset: 3_STAR synonym: "brominated hydrocarbons" RELATED [ChEBI] synonym: "bromohydrocarbons" RELATED [ChEBI] is_a: CHEBI:24472 ! halohydrocarbon is_a: CHEBI:37141 ! organobromine compound [Term] id: CHEBI:22927 name: bromine atom namespace: chebi_ontology subset: 3_STAR synonym: "35Br" RELATED [IUPAC] synonym: "Br" RELATED [ChEBI] synonym: "Brom" RELATED [ChEBI] synonym: "brome" RELATED [ChEBI] synonym: "bromine" EXACT IUPAC_NAME [IUPAC] synonym: "bromine" RELATED [ChEBI] synonym: "bromo" RELATED [ChEBI] synonym: "bromum" RELATED [ChEBI] xref: WebElements:Br is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WKBOTKDWSSQWDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.90400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br]" xsd:string [Term] id: CHEBI:22928 name: bromine molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "bromine compounds" RELATED [ChEBI] synonym: "bromine molecular entities" RELATED [ChEBI] synonym: "bromine molecular entity" EXACT [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:22927 ! bromine atom [Term] id: CHEBI:22929 name: bromoalkane namespace: chebi_ontology def: "Any haloalkane that consists of an alkane substituted by at least one bromine atom." [] subset: 3_STAR synonym: "alkyl bromide" RELATED [ChEBI] synonym: "alkyl bromides" RELATED [ChEBI] synonym: "bromoalkanes" RELATED [ChEBI] is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:37141 ! organobromine compound [Term] id: CHEBI:22931 name: bromobisphenol namespace: chebi_ontology def: "A bisphenol substituted by at least one bromo group and its derivatives." [] subset: 3_STAR synonym: "bromobisphenols" RELATED [ChEBI] is_a: CHEBI:22901 ! bisphenol is_a: CHEBI:37141 ! organobromine compound [Term] id: CHEBI:22939 name: butanals namespace: chebi_ontology def: "An aldehyde based on a butanal skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:22944 name: butanediols namespace: chebi_ontology def: "A diol that is a butanediol or a derivative of a butanediol." [] subset: 3_STAR is_a: CHEBI:23824 ! diol [Term] id: CHEBI:22951 name: butanone namespace: chebi_ontology def: "Any ketone that is butane substituted by an oxo group at unspecified position." [] subset: 3_STAR synonym: "butanones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:22958 name: butenedioic acid namespace: chebi_ontology subset: 3_STAR synonym: "2-butenedioic acid" RELATED [ChEBI] synonym: "but-2-enedioic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8132074 {source="Beilstein"} is_a: CHEBI:66873 ! C4-dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:37155 ! hydrogen butenedioate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.07216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])C(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:22959 name: butenoic acid namespace: chebi_ontology def: "Any C4, straight-chain fatty acid containing one double bond." [] subset: 3_STAR synonym: "butenoic acid" EXACT IUPAC_NAME [IUPAC] xref: DrugBank:DB02074 is_a: CHEBI:25413 ! monounsaturated fatty acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.089" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string [Term] id: CHEBI:22977 name: cadmium atom namespace: chebi_ontology subset: 3_STAR synonym: "48Cd" RELATED [IUPAC] synonym: "cadmio" RELATED [ChEBI] synonym: "cadmium" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium" RELATED [ChEBI] synonym: "Cd" RELATED [IUPAC] synonym: "Kadmium" RELATED [NIST_Chemistry_WebBook] xref: CAS:7440-43-9 {source="NIST Chemistry WebBook"} xref: CAS:7440-43-9 {source="ChemIDplus"} xref: CAS:7440-43-9 {source="KEGG COMPOUND"} xref: KEGG:C01413 xref: WebElements:Cd is_a: CHEBI:33340 ! zinc group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cd" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDOSMKKIYDKNTQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.41100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.90336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cd]" xsd:string [Term] id: CHEBI:22978 name: cadmium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cadmium compounds" RELATED [ChEBI] synonym: "cadmium molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:22977 ! cadmium atom [Term] id: CHEBI:22984 name: calcium atom namespace: chebi_ontology subset: 3_STAR synonym: "20Ca" RELATED [IUPAC] synonym: "Ca" RELATED [IUPAC] synonym: "Ca" RELATED [UniProt] synonym: "calcio" RELATED [ChEBI] synonym: "Calcium" RELATED [KEGG_COMPOUND] synonym: "calcium" EXACT IUPAC_NAME [IUPAC] synonym: "calcium" RELATED [ChEBI] synonym: "Kalzium" RELATED [ChEBI] xref: CAS:7440-70-2 {source="ChemIDplus"} xref: DrugBank:DB01373 xref: KEGG:C00076 xref: WebElements:Ca is_a: CHEBI:22313 ! alkaline earth metal atom relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYPRJOBELJOOCE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.07800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22985 name: calcium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "calcium compounds" RELATED [ChEBI] synonym: "calcium molecular entities" RELATED [ChEBI] synonym: "calcium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:22984 ! calcium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:22986 name: calcium ionophore namespace: chebi_ontology subset: 3_STAR synonym: "calcium ionophores" RELATED [ChEBI] is_a: CHEBI:24869 ! ionophore [Term] id: CHEBI:23000 name: caprolactams namespace: chebi_ontology def: "A lactam in which the amide bond is contained within a seven-membered ring, which includes the amide nitrogen and the carbonyl carbon." [] subset: 3_STAR is_a: CHEBI:24995 ! lactam [Term] id: CHEBI:23003 name: carbamate ester namespace: chebi_ontology def: "Any ester of carbamic acid or its N-substituted derivatives." [] subset: 3_STAR synonym: "carbamate esters" RELATED [ChEBI] synonym: "carbamates" RELATED [ChEBI] xref: Wikipedia:Carbamate is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:28616 ! carbamic acid [Term] id: CHEBI:23004 name: carbamoyl group namespace: chebi_ontology def: "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid." [] subset: 3_STAR synonym: "-C(O)NH2" RELATED [ChEBI] synonym: "-CONH2" RELATED [IUPAC] synonym: "aminocarbonyl" RELATED [IUPAC] synonym: "carbamoyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbamyl" RELATED [ChEBI] synonym: "carbamyl group" RELATED [ChEBI] synonym: "carboxamide" RELATED [IUPAC] xref: PMID:24168430 {source="Europe PMC"} is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.03272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(N)=O" xsd:string [Term] id: CHEBI:23007 name: carbohydrate-containing antibiotic namespace: chebi_ontology def: "Any carbohydrate derivative that exhibits antibiotic activity." [] subset: 3_STAR is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:23012 name: carbon disulfide namespace: chebi_ontology subset: 3_STAR synonym: "Carbon disulfide" EXACT [NIST_Chemistry_WebBook] synonym: "carbon disulfide" EXACT [UniProt] synonym: "carbon disulfide" EXACT IUPAC_NAME [IUPAC] synonym: "carbon disulfide" EXACT [ChEBI] synonym: "carbon disulphide" RELATED [ChEBI] synonym: "CS2" RELATED [IUPAC] synonym: "disulfidocarbon" EXACT IUPAC_NAME [IUPAC] xref: CAS:75-15-0 {source="ChemIDplus"} xref: CAS:75-15-0 {source="NIST Chemistry WebBook"} xref: CAS:75-15-0 {source="KEGG COMPOUND"} xref: KEGG:C19033 xref: PPDB:2724 xref: UM-BBD_compID:c0561 {source="UM-BBD"} is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:64708 ! one-carbon compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CS2/c2-1-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGJOPFRUJISHPQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.14270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.94414" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S=C=S" xsd:string [Term] id: CHEBI:23014 name: carbon oxide namespace: chebi_ontology subset: 3_STAR synonym: "carbon oxides" RELATED [ChEBI] synonym: "oxides of carbon" RELATED [ChEBI] is_a: CHEBI:25701 ! organic oxide is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23016 name: carbonates namespace: chebi_ontology def: "Organooxygen compounds that are salts or esters of carbonic acid, H2CO3." [] subset: 3_STAR is_a: CHEBI:36963 ! organooxygen compound relationship: has_functional_parent CHEBI:28976 ! carbonic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23018 name: EC 4.2.1.1 (carbonic anhydrase) inhibitor namespace: chebi_ontology def: "An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule." [] subset: 3_STAR synonym: "anhydrase inhibitor" RELATED [ChEBI] synonym: "anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonate anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonate anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonate dehydratase inhibitor" RELATED [ChEBI] synonym: "carbonate dehydratase inhibitors" RELATED [ChEBI] synonym: "carbonate hydro-lyase (carbon-dioxide-forming) inhibitor" RELATED [ChEBI] synonym: "carbonate hydro-lyase (carbon-dioxide-forming) inhibitors" RELATED [ChEBI] synonym: "carbonate hydro-lyase inhibitor" RELATED [ChEBI] synonym: "carbonate hydro-lyase inhibitors" RELATED [ChEBI] synonym: "carbonic acid anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonic acid anhydrase inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase (EC 4.2.1.1) inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase (EC 4.2.1.1) inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase A inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase A inhibitors" RELATED [ChEBI] synonym: "carbonic anhydrase inhibitor" RELATED [ChEBI] synonym: "carbonic anhydrase inhibitors" RELATED [ChEBI] synonym: "carboxyanhydrase inhibitor" RELATED [ChEBI] synonym: "carboxyanhydrase inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.1 (carbonic anhydrase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.1 inhibitors" RELATED [ChEBI] xref: Wikipedia:Carbonic_anhydrase_inhibitor is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor [Term] id: CHEBI:23019 name: carbonyl group namespace: chebi_ontology subset: 3_STAR synonym: ">C=O" RELATED [IUPAC] synonym: "carbonyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbonyl group" EXACT [ChEBI] synonym: "carbonyl group" EXACT [UniProt] is_a: CHEBI:51422 ! organodiyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(*)*" xsd:string [Term] id: CHEBI:23042 name: carotene name: carotene namespace: chebi_ontology def: "Hydrocarbon carotenoids." [] comment: LanguaL term definition: Food additive. subset: 3_STAR synonym: "carotene" EXACT [ChEBI] synonym: "carotenes" EXACT IUPAC_NAME [IUPAC] synonym: "carotenes" RELATED [ChEBI] xref: Codex:\:160a xref: Europe:\:160a xref: http://www.langual.org/langual_thesaurus.asp?termid=B4414 is_a: CHEBI:23044 ! carotenoid is_a: CHEBI:35193 ! tetraterpene is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "carotenes" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23044 name: carotenoid namespace: chebi_ontology def: "One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded." [] subset: 3_STAR synonym: "carotenes and carotenoids" RELATED [ChemIDplus] synonym: "carotenoid" EXACT IUPAC_NAME [IUPAC] synonym: "carotenoids" RELATED [ChEBI] xref: CAS:36-88-4 {source="ChemIDplus"} is_a: CHEBI:26935 ! tetraterpenoid relationship: has_parent_hydride CHEBI:23042 ! carotene property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23053 name: catechin namespace: chebi_ontology def: "Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "(+/-)-Catechin" RELATED [] synonym: "catechin" EXACT [] synonym: "catechins" RELATED [] xref: KEGG:C17590 xref: LINCS:LSM-1682 is_a: CHEBI:72010 ! hydroxyflavan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PFTAWBLQPZVEMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.269" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.07904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:23066 name: cephalosporin namespace: chebi_ontology alt_id: CHEBI:3538 def: "A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy." [] subset: 3_STAR synonym: "cephalosphorin" RELATED [ChEBI] synonym: "cephalosphorins" RELATED [ChEBI] synonym: "Cephalosporin" EXACT [KEGG_COMPOUND] synonym: "cephalosporins" RELATED [ChEBI] xref: KEGG:C00875 xref: PMID:10069359 {source="Europe PMC"} xref: PMID:11936371 {source="Europe PMC"} xref: PMID:12833570 {source="Europe PMC"} xref: PMID:24269048 {source="Europe PMC"} xref: PMID:3320614 {source="Europe PMC"} xref: PMID:6762896 {source="Europe PMC"} xref: PMID:8426246 {source="Europe PMC"} xref: Wikipedia:Cephalosporin is_a: CHEBI:38311 ! cephem relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NO3SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.18500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.99901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SCC([*])=C(N1C(=O)[C@H]2[*])C(O)=O" xsd:string [Term] id: CHEBI:23089 name: chelate-forming peptide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25903 ! peptide antibiotic relationship: has_role CHEBI:38161 ! chelator [Term] id: CHEBI:23092 name: chemosterilant namespace: chebi_ontology def: "A substance intended to sterilize any organism." [] subset: 3_STAR synonym: "chemosterilants" RELATED [ChEBI] xref: Wikipedia:Chemosterilant is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:23100 name: chitin synthesis inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24851 ! insect growth regulator [Term] id: CHEBI:23114 name: chloride salt namespace: chebi_ontology subset: 3_STAR synonym: "chloride salts" RELATED [ChEBI] synonym: "chlorides" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33958 ! halide salt relationship: has_part CHEBI:17996 ! chloride property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23115 name: chlorohydrocarbon namespace: chebi_ontology def: "A compound derived from a hydrocarbon by replacing at least one hydrogen atom with a chlorine atom." [] subset: 3_STAR synonym: "chlorinated hydrocarbons" RELATED [ChEBI] synonym: "chlorohydrocarbons" RELATED [ChEBI] is_a: CHEBI:24472 ! halohydrocarbon is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:23116 name: chlorine atom namespace: chebi_ontology subset: 3_STAR synonym: "17Cl" RELATED [IUPAC] synonym: "Chlor" RELATED [ChEBI] synonym: "chlore" RELATED [ChEBI] synonym: "chlorine" EXACT IUPAC_NAME [IUPAC] synonym: "chlorine" RELATED [ChEBI] synonym: "chlorum" RELATED [ChEBI] synonym: "Cl" RELATED [IUPAC] synonym: "cloro" RELATED [ChEBI] xref: WebElements:Cl is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZAMOUSCENKQFHK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.45270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl]" xsd:string [Term] id: CHEBI:23117 name: chlorine molecular entity namespace: chebi_ontology def: "A halogen molecular entity containing one or more atoms of chlorine." [] subset: 3_STAR is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:23116 ! chlorine atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23123 name: chloroacetate namespace: chebi_ontology def: "A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid." [] subset: 3_STAR synonym: "chloroacetate" EXACT [UniProt] synonym: "chloroacetate" EXACT IUPAC_NAME [IUPAC] synonym: "chloroacetate anion" RELATED [ChEBI] synonym: "chloroacetate(1-)" RELATED [ChEBI] synonym: "Chloroacetic acid ion(1-)" RELATED [ChEBI] synonym: "mono-chloroacetate" RELATED [ChEBI] synonym: "monochloroacetate anion" RELATED [ChEBI] synonym: "monochloroacetic acid anion" RELATED [ChEBI] xref: CAS:14526-03-5 {source="ChemIDplus"} xref: MetaCyc:CHLOROACETIC-ACID xref: Reaxys:1903575 {source="Reaxys"} xref: UM-BBD_compID:c0007 {source="UM-BBD"} is_a: CHEBI:85638 ! haloacetate(1-) relationship: is_conjugate_base_of CHEBI:27869 ! chloroacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2ClO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FOCAUTSVDIKZOP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.48900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.97488" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CCl" xsd:string [Term] id: CHEBI:23128 name: chloroalkane namespace: chebi_ontology def: "Any haloalkane that consists of an alkane substituted by at least one chloro group." [] subset: 3_STAR synonym: "alkyl chloride" RELATED [ChEBI] synonym: "alkyl chlorides" RELATED [ChEBI] synonym: "chloroalkane" EXACT [ChEBI] synonym: "chloroalkanes" RELATED [ChEBI] is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:23130 name: chloroaniline namespace: chebi_ontology def: "Any substituted aniline carrying at least one chloro group." [] subset: 3_STAR is_a: CHEBI:23132 ! chlorobenzenes is_a: CHEBI:48975 ! substituted aniline [Term] id: CHEBI:23132 name: chlorobenzenes namespace: chebi_ontology def: "Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:23133 name: chlorobenzoate namespace: chebi_ontology def: "Any member of the class of benzoates in which the benzene ring is substituted by at least one chloro group." [] subset: 3_STAR synonym: "chlorobenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates relationship: is_conjugate_base_of CHEBI:23134 ! chlorobenzoic acid [Term] id: CHEBI:23134 name: chlorobenzoic acid namespace: chebi_ontology def: "Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group." [] subset: 3_STAR synonym: "chlorobenzoic acids" RELATED [ChEBI] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:36685 ! chlorocarboxylic acid relationship: is_conjugate_acid_of CHEBI:23133 ! chlorobenzoate [Term] id: CHEBI:23135 name: chlorobenzophenone namespace: chebi_ontology def: "A member of the class of benzophenones that is any substituted benzophenone in which at least one of the substituents is a chlorine." [] subset: 3_STAR synonym: "chlorobenzophenones" RELATED [ChEBI] is_a: CHEBI:22726 ! benzophenones is_a: CHEBI:23132 ! chlorobenzenes [Term] id: CHEBI:23141 name: chloroethanol namespace: chebi_ontology def: "An organochlorine compound that is ethanol substituted by at least one chloro group." [] subset: 3_STAR synonym: "chloroethanols" RELATED [ChEBI] is_a: CHEBI:23982 ! ethanols is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:23142 name: chloroethenes namespace: chebi_ontology def: "A chloroalkene that is ethene in which one or more of the hydrogens has been replaced by chlorine." [] subset: 3_STAR synonym: "chloroethylenes" RELATED [ChEBI] is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:36387 ! chloroalkene is_a: CHEBI:51316 ! haloethene [Term] id: CHEBI:23148 name: chloromethanes namespace: chebi_ontology def: "A halomethane that is methane in which one or more hydrogens has been replaced by chlorine." [] subset: 3_STAR is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23128 ! chloroalkane is_a: CHEBI:39279 ! halomethane [Term] id: CHEBI:23150 name: chlorophenol namespace: chebi_ontology def: "A halophenol that is any phenol containing one or more covalently bonded chlorine atoms." [] subset: 3_STAR synonym: "chlorophenols" RELATED [ChEBI] xref: Wikipedia:Chlorophenol is_a: CHEBI:23132 ! chlorobenzenes is_a: CHEBI:38856 ! halophenol [Term] id: CHEBI:23151 name: chlorophenoxyacetate anion namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any chlorophenoxyacetic acid." [] subset: 3_STAR is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:38846 ! phenoxyacetate [Term] id: CHEBI:23152 name: chlorophenoxyacetic acid namespace: chebi_ontology def: "A monocarboxylic acid that is phenoxyacetic acid in which at least one of the phenyl hydrogens is replaced by chlorine." [] subset: 3_STAR synonym: "chlorophenoxyacetic acids" RELATED [ChEBI] is_a: CHEBI:23132 ! chlorobenzenes is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether relationship: has_functional_parent CHEBI:8075 ! phenoxyacetic acid [Term] id: CHEBI:23154 name: chlorophenylethane namespace: chebi_ontology def: "Any chlorohydrocarbon that is phenylethane substituted by at least one chloro group at unspecified position." [] subset: 3_STAR synonym: "chlorophenylethanes" RELATED [ChEBI] is_a: CHEBI:23115 ! chlorohydrocarbon [Term] id: CHEBI:23155 name: chlorophenylethylene namespace: chebi_ontology def: "A chlorohydrocarbon that is consists of ethylene in which one or more hydrogens are replaced by chlorophenyl groups." [] subset: 3_STAR is_a: CHEBI:23115 ! chlorohydrocarbon [Term] id: CHEBI:23156 name: chlorophenylmethane namespace: chebi_ontology def: "A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position." [] subset: 3_STAR synonym: "chlorophenylmethanes" RELATED [ChEBI] is_a: CHEBI:23115 ! chlorohydrocarbon [Term] id: CHEBI:23162 name: chloropropene namespace: chebi_ontology def: "Any chloroalkene that is propene substituted by at least one chloro group at unspecified position." [] subset: 3_STAR synonym: "chloropropenes" RELATED [ChEBI] is_a: CHEBI:36387 ! chloroalkene [Term] id: CHEBI:23213 name: choline ester namespace: chebi_ontology alt_id: CHEBI:3666 subset: 3_STAR synonym: "choline esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester relationship: has_functional_parent CHEBI:15354 ! choline [Term] id: CHEBI:23217 name: cholines namespace: chebi_ontology def: "A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:23229 name: chromanol namespace: chebi_ontology def: "Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups." [] subset: 3_STAR is_a: CHEBI:23230 ! chromanes is_a: CHEBI:33822 ! organic hydroxy compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23230 name: chromanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38443 ! 1-benzopyran property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23232 name: chromenes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38443 ! 1-benzopyran [Term] id: CHEBI:23237 name: chromium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "chromium compounds" RELATED [ChEBI] synonym: "chromium molecular entities" RELATED [ChEBI] synonym: "chromium molecular entity" EXACT [ChEBI] is_a: CHEBI:33741 ! chromium group molecular entity relationship: has_part CHEBI:28073 ! chromium atom [Term] id: CHEBI:23239 name: chromopeptide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25903 ! peptide antibiotic [Term] id: CHEBI:23240 name: chromophore namespace: chebi_ontology def: "The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized." [] subset: 3_STAR synonym: "chromophore" EXACT IUPAC_NAME [IUPAC] synonym: "chromophores" RELATED [ChEBI] xref: Wikipedia:Chromophore is_a: CHEBI:52215 ! photochemical role [Term] id: CHEBI:23252 name: cinnamic acids namespace: chebi_ontology def: "Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:78840 ! olefinic compound is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid [Term] id: CHEBI:23334 name: cobalamins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:176843 ! vitamin B12 is_a: CHEBI:23341 ! cobamides [Term] id: CHEBI:23336 name: cobalt cation namespace: chebi_ontology subset: 3_STAR synonym: "cobalt cation" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation property_value: http://purl.obolibrary.org/obo/chebi/formula "Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.933" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93320" xsd:string [Term] id: CHEBI:23341 name: cobamides namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:23390 ! cobalt-corrinoid hexaamide [Term] id: CHEBI:23354 name: coenzyme namespace: chebi_ontology def: "A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons." [] subset: 3_STAR synonym: "coenzyme" EXACT IUPAC_NAME [IUPAC] synonym: "coenzymes" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:23357 name: cofactor namespace: chebi_ontology def: "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group)." [] subset: 3_STAR synonym: "cofactor" EXACT [IUPAC] synonym: "cofactors" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Cofactor_(biochemistry) is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:23366 name: compatible osmolytes namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25728 ! osmolyte [Term] id: CHEBI:23367 name: molecular entity namespace: chebi_ontology def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] subset: 3_STAR synonym: "entidad molecular" RELATED [IUPAC] synonym: "entidades moleculares" RELATED [IUPAC] synonym: "entite moleculaire" RELATED [IUPAC] synonym: "molecular entities" RELATED [IUPAC] synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "molekulare Entitaet" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23377 name: copper molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "copper compounds" RELATED [ChEBI] synonym: "copper molecular entities" RELATED [ChEBI] synonym: "copper molecular entity" EXACT [ChEBI] is_a: CHEBI:33745 ! copper group molecular entity relationship: has_part CHEBI:28694 ! copper atom [Term] id: CHEBI:23378 name: copper cation namespace: chebi_ontology subset: 3_STAR synonym: "copper cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper cations" RELATED [ChEBI] synonym: "Cu cation" RELATED [UniProt] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:37404 ! elemental copper relationship: has_role CHEBI:23357 ! cofactor property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.546" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92960" xsd:string [Term] id: CHEBI:233869 name: 4-(phenylazo)aniline namespace: chebi_ontology def: "Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen." [] subset: 3_STAR synonym: "4-(Phenylazo)benzenamine" RELATED [ChemIDplus] synonym: "4-(phenyldiazenyl)aniline" RELATED [ChEBI] synonym: "4-[(E)-phenyldiazenyl]aniline" EXACT IUPAC_NAME [IUPAC] synonym: "4-AAB" RELATED [ChEBI] synonym: "4-Amino-1,1'-azobenzene" RELATED [ChemIDplus] synonym: "4-Aminoazobenzene" RELATED [KEGG_COMPOUND] synonym: "4-Aminoazobenzene" RELATED [ChemIDplus] synonym: "4-Phenylazo-phenylamine" RELATED [ChEMBL] synonym: "4-Phenylazophenylamine" RELATED [ChEBI] synonym: "AAB" RELATED [ChEBI] synonym: "Aniline Yellow" RELATED [ChemIDplus] synonym: "Aniline yellow" RELATED [KEGG_COMPOUND] synonym: "p-AAZB" RELATED [ChEBI] synonym: "p-aminoazobenzene" RELATED [ChemIDplus] xref: CAS:60-09-3 {source="KEGG COMPOUND"} xref: CAS:60-09-3 {source="ChemIDplus"} xref: KEGG:C19187 xref: PMID:11084593 {source="Europe PMC"} xref: PMID:13233869 {source="Europe PMC"} xref: PMID:13243097 {source="Europe PMC"} xref: PMID:14906551 {source="Europe PMC"} xref: PMID:17899332 {source="Europe PMC"} xref: PMID:18321769 {source="Europe PMC"} xref: PMID:18844695 {source="Europe PMC"} xref: PMID:23760354 {source="Europe PMC"} xref: PMID:32785935 {source="Europe PMC"} xref: PMID:3607307 {source="Europe PMC"} xref: PMID:6010711 {source="Europe PMC"} xref: PMID:7265110 {source="ChEMBL"} xref: PMID:8365123 {source="Europe PMC"} xref: Reaxys:513850 {source="Reaxys"} xref: Wikipedia:Aniline_Yellow is_a: CHEBI:22682 ! azobenzenes is_a: CHEBI:50471 ! primary arylamine relationship: has_functional_parent CHEBI:190358 ! azobenzene relationship: has_role CHEBI:37958 ! dye relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPQKUYVSJWQSDY-CCEZHUSRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.23580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.09530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)\\N=N\\c1ccccc1" xsd:string [Term] id: CHEBI:23390 name: cobalt-corrinoid hexaamide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33906 ! cobalt corrinoid [Term] id: CHEBI:23403 name: coumarins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26004 ! phenylpropanoid is_a: CHEBI:38445 ! chromenone [Term] id: CHEBI:23423 name: pseudohalogen oxoacid namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24833 ! oxoacid [Term] id: CHEBI:23424 name: cyanides namespace: chebi_ontology def: "Salts and C-organyl derivatives of hydrogen cyanide, HC#N." [] subset: 3_STAR synonym: "cyanides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_parent_hydride CHEBI:18407 ! hydrogen cyanide [Term] id: CHEBI:23437 name: cyanohydrin namespace: chebi_ontology alt_id: CHEBI:3981 def: "An alpha-hydroxynitrile resulting from the formal addition of hydrogen cyanide to the C=O bond of an aldehyde or ketone." [] subset: 3_STAR synonym: "Cyanohydrin" EXACT [KEGG_COMPOUND] synonym: "cyanohydrins" RELATED [ChEBI] xref: KEGG:C05712 is_a: CHEBI:22455 ! alpha-hydroxynitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HNOR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.03540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])([*])C#N" xsd:string [Term] id: CHEBI:23443 name: cyclic amide namespace: chebi_ontology alt_id: CHEBI:3990 subset: 3_STAR synonym: "cyclic amide" EXACT [ChEBI] synonym: "cyclic amides" RELATED [ChEBI] is_a: CHEBI:32988 ! amide [Term] id: CHEBI:23446 name: cyclic monoterpene ketone namespace: chebi_ontology def: "A cyclic terpene ketone in which the terpene specified is monoterpene." [] subset: 3_STAR synonym: "cyclic monoterpene ketones" RELATED [ChEBI] is_a: CHEBI:25408 ! monoterpene ketone is_a: CHEBI:36130 ! cyclic terpene ketone [Term] id: CHEBI:23447 name: cyclic nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic nucleotides" RELATED [ChEBI] is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:23449 name: cyclic peptide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic peptides" RELATED [ChEBI] synonym: "Cyclopeptid" RELATED [ChEBI] synonym: "peptide cyclique" RELATED [IUPAC] synonym: "peptido ciclico" RELATED [IUPAC] synonym: "Zyklopeptid" RELATED [ChEBI] is_a: CHEBI:16670 ! peptide [Term] id: CHEBI:23451 name: cyclitol namespace: chebi_ontology def: "A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom." [] subset: 3_STAR synonym: "cyclitols" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:23453 name: cycloalkane namespace: chebi_ontology def: "Saturated monocyclic hydrocarbons (with or without side chains)." [] subset: 3_STAR synonym: "cyclane" RELATED [ChEBI] synonym: "cycloalkane" EXACT IUPAC_NAME [IUPAC] synonym: "cycloalkanes" EXACT IUPAC_NAME [IUPAC] synonym: "cycloalkanes" RELATED [ChEBI] synonym: "cycloparaffin" RELATED [ChEBI] synonym: "Zyklan" RELATED [ChEBI] synonym: "Zykloalkan" RELATED [ChEBI] synonym: "Zykloparaffin" RELATED [ChEBI] is_a: CHEBI:33654 ! alicyclic compound is_a: CHEBI:33664 ! monocyclic hydrocarbon [Term] id: CHEBI:23457 name: cyclodiene organochlorine insecticide namespace: chebi_ontology def: "A sub-category of organochlorine insecticides, the members of which are all derived from hexachlorocyclopentadiene. They possess a structure based on two 3-dimensional carbon ring units, one of which is heavily chlorinated." [] subset: 3_STAR synonym: "cyclodiene organochlorine insecticide" EXACT [ChEBI] is_a: CHEBI:25705 ! organochlorine insecticide [Term] id: CHEBI:23480 name: cyclohexanols namespace: chebi_ontology def: "An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton." [] subset: 3_STAR is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:23482 name: cyclohexanones namespace: chebi_ontology def: "Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:36132 ! alicyclic ketone [Term] id: CHEBI:23483 name: cyclohexenecarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "cyclohexenecarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:23492 name: cyclopentane namespace: chebi_ontology def: "A cycloalkane that consists of five carbons each bonded with two hydrogens above and below the plane. The parent of the class of cyclopentanes." [] subset: 3_STAR synonym: "ciclopentano" RELATED [ChEBI] synonym: "Cyclopentan" RELATED [ChEBI] synonym: "cyclopentane" EXACT IUPAC_NAME [IUPAC] synonym: "pentamethylene" RELATED [NIST_Chemistry_WebBook] synonym: "Zyklopentan" RELATED [ChEBI] xref: Beilstein:1900195 {source="Beilstein"} xref: CAS:287-92-3 {source="ChemIDplus"} xref: CAS:287-92-3 {source="NIST Chemistry WebBook"} xref: Gmelin:1313 {source="Gmelin"} xref: PMID:21598927 {source="Europe PMC"} xref: Reaxys:1900195 {source="Reaxys"} xref: Wikipedia:Cyclopentane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23453 ! cycloalkane is_a: CHEBI:23493 ! cyclopentanes relationship: has_role CHEBI:48355 ! non-polar solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RGSFGYAAUTVSQA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "70.13290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "70.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCC1" xsd:string [Term] id: CHEBI:23493 name: cyclopentanes namespace: chebi_ontology def: "Cyclopentane and its derivatives formed by substitution." [] subset: 3_STAR is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:23500 name: cyclopropanecarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "carboxycyclopropane" RELATED [ChemIDplus] synonym: "cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "cyclopropylcarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:969839 {source="Beilstein"} xref: CAS:1759-53-1 {source="KEGG COMPOUND"} xref: CAS:1759-53-1 {source="ChemIDplus"} xref: CAS:1759-53-1 {source="NIST Chemistry WebBook"} xref: Gmelin:2246 {source="Gmelin"} xref: KEGG:C16267 is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:51454 ! cyclopropanes relationship: is_conjugate_acid_of CHEBI:36128 ! cyclopropanecarboxylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMGUBTXCNDTFJI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1CC1" xsd:string [Term] id: CHEBI:23509 name: cysteine derivative namespace: chebi_ontology alt_id: CHEBI:25309 def: "An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues." [] subset: 3_STAR synonym: "cysteine derivative" EXACT [ChEBI] synonym: "cysteine derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:15356 ! cysteine [Term] id: CHEBI:23527 name: cytochalasin B namespace: chebi_ontology def: "An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments." [] subset: 3_STAR synonym: "(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "cytochalasin B" EXACT [UniProt] synonym: "Phomin" RELATED [ChEBI] xref: AGR:IND605251338 {source="Europe PMC"} xref: AGR:IND605574141 {source="Europe PMC"} xref: CAS:14930-96-2 {source="ChemIDplus"} xref: KEGG:C19954 xref: KNApSAcK:C00011322 xref: LIPID_MAPS_instance:LMPK11000002 {source="LIPID MAPS"} xref: MetaCyc:CPD-20745 xref: PMID:10716458 {source="Europe PMC"} xref: PMID:15869745 {source="Europe PMC"} xref: PMID:22882828 {source="Europe PMC"} xref: PMID:27581081 {source="Europe PMC"} xref: PMID:29050297 {source="Europe PMC"} xref: PMID:33070838 {source="Europe PMC"} xref: PMID:33996522 {source="Europe PMC"} xref: PMID:7327176 {source="Europe PMC"} xref: PMID:7378656 {source="Europe PMC"} xref: PMID:9568120 {source="Europe PMC"} xref: Reaxys:1096210 {source="Reaxys"} xref: Wikipedia:Cytochalasin_B is_a: CHEBI:23528 ! cytochalasin is_a: CHEBI:24995 ! lactam is_a: CHEBI:25000 ! lactone is_a: CHEBI:26979 ! organic heterotricyclic compound relationship: has_role CHEBI:25442 ! mycotoxin relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H37NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GBOGMAARMMDZGR-TYHYBEHESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "479.60780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "479.26717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12\\C=C\\C[C@H](C)CCC[C@@H](O)\\C=C\\C(=O)O[C@]11C(=O)N[C@@H](Cc3ccccc3)[C@]1([H])[C@H](C)C(=C)[C@H]2O" xsd:string [Term] id: CHEBI:23528 name: cytochalasin namespace: chebi_ontology subset: 3_STAR synonym: "cytochalasins" RELATED [ChEBI] xref: Wikipedia:Cytochalasin is_a: CHEBI:24897 ! isoindoles [Term] id: CHEBI:23529 name: cytochrome-b6f complex inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26087 ! photosynthetic electron-transport chain inhibitor [Term] id: CHEBI:23530 name: cytokinin namespace: chebi_ontology def: "A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots." [] subset: 3_STAR xref: Wikipedia:Cytokinin is_a: CHEBI:37848 ! plant hormone [Term] id: CHEBI:23582 name: defoliant namespace: chebi_ontology def: "A herbicide which when sprayed or dusted on plants causes its leaves to fall off." [] subset: 3_STAR synonym: "defoliants" RELATED [ChEBI] synonym: "Defoliationsmittel" RELATED [ChEBI] synonym: "Entlaubungsmittel" RELATED [ChEBI] is_a: CHEBI:24527 ! herbicide [Term] id: CHEBI:23636 name: deoxyribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:33838 ! nucleoside [Term] id: CHEBI:23666 name: diamine namespace: chebi_ontology def: "Any polyamine that contains two amino groups." [] subset: 3_STAR synonym: "diamines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:23677 name: diazole namespace: chebi_ontology def: "An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring." [] subset: 3_STAR synonym: "diazoles" RELATED [ChEBI] is_a: CHEBI:68452 ! azole property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23690 name: dicarboxylic acid amide namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:23697 name: dichlorobenzene namespace: chebi_ontology def: "Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions." [] subset: 3_STAR synonym: "Dichlorbenzol" RELATED [ChEBI] synonym: "dichlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "dichlorobenzene" EXACT [ChEBI] synonym: "dichlorobenzenes" RELATED [ChEBI] is_a: CHEBI:23132 ! chlorobenzenes [Term] id: CHEBI:23702 name: dichlorophenol namespace: chebi_ontology def: "Any chlorophenol carrying chloro substituents." [] subset: 3_STAR xref: Wikipedia:Dichlorophenol is_a: CHEBI:23150 ! chlorophenol is_a: CHEBI:23697 ! dichlorobenzene [Term] id: CHEBI:23704 name: diepoxybutane namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-bi[ethylene oxide]" RELATED [NIST_Chemistry_WebBook] synonym: "1,2:3,4-butadiene diepoxide" RELATED [ChemIDplus] synonym: "1,2:3,4-dianhydrothreitol" RELATED [NIST_Chemistry_WebBook] synonym: "1,2:3,4-diepoxybutane" RELATED [ChemIDplus] synonym: "1,3-butadiene diepoxide" RELATED [NIST_Chemistry_WebBook] synonym: "2,2'-bioxirane" EXACT IUPAC_NAME [IUPAC] synonym: "bioxirane" RELATED [NIST_Chemistry_WebBook] synonym: "Butadiendioxyd" RELATED [ChemIDplus] synonym: "butadiene diepoxide" RELATED [NIST_Chemistry_WebBook] synonym: "butadiene dioxide" RELATED [NIST_Chemistry_WebBook] synonym: "butane diepoxide" RELATED [NIST_Chemistry_WebBook] synonym: "DEB" RELATED [NIST_Chemistry_WebBook] synonym: "dioxybutadiene" RELATED [ChemIDplus] xref: Beilstein:79831 {source="Beilstein"} xref: CAS:1464-53-5 {source="NIST Chemistry WebBook"} xref: CAS:1464-53-5 {source="ChemIDplus"} is_a: CHEBI:32955 ! epoxide relationship: has_role CHEBI:25435 ! mutagen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFIVKAOQEXOYFY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1OC1C1CO1" xsd:string [Term] id: CHEBI:23765 name: quinolone namespace: chebi_ontology subset: 3_STAR synonym: "quinolones" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines [Term] id: CHEBI:23778 name: dihydroxybenzoic acid namespace: chebi_ontology def: "Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives." [] subset: 3_STAR synonym: "dihydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:24676 ! hydroxybenzoic acid relationship: is_conjugate_acid_of CHEBI:36084 ! dihydroxybenzoate [Term] id: CHEBI:237958 name: (\{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate namespace: chebi_ontology subset: 2_STAR is_a: CHEBI:37045 ! purine ribonucleoside 5'-triphosphate is_a: CHEBI:37096 ! adenosine 5'-phosphate relationship: has_role CHEBI:50733 ! nutraceutical relationship: is_conjugate_acid_of CHEBI:57299 ! ATP(3-) [Term] id: CHEBI:23806 name: dimethylaniline namespace: chebi_ontology def: "A methylaniline carrying at least two methyl groups." [] subset: 3_STAR synonym: "dimethylanilines" RELATED [ChEBI] is_a: CHEBI:25275 ! methylaniline [Term] id: CHEBI:23822 name: dinitrotoluene namespace: chebi_ontology def: "Any nitrotoluene carrying two nitro substituents." [] subset: 3_STAR synonym: "dinitrotoluenes" RELATED [ChEBI] is_a: CHEBI:25566 ! nitrotoluene [Term] id: CHEBI:23824 name: diol namespace: chebi_ontology def: "A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols." [] subset: 3_STAR synonym: "diols" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Diol is_a: CHEBI:26191 ! polyol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23825 name: dibenzodioxine namespace: chebi_ontology def: "Oxanthrene (formerly dibenzo[b,e][1,4]dioxine) and its derivatives." [] subset: 3_STAR synonym: "dibenzodioxines" RELATED [ChEBI] synonym: "dibenzodioxins" RELATED [ChEBI] synonym: "dioxins" RELATED [ChEBI] synonym: "oxanthrenes" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:27171 ! organic heterobicyclic compound relationship: has_role CHEBI:35703 ! xenobiotic [Term] id: CHEBI:23843 name: disaccharide phosphate namespace: chebi_ontology subset: 3_STAR synonym: "disaccharide phosphates" RELATED [ChEBI] is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63353 ! disaccharide derivative [Term] id: CHEBI:23849 name: diterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "C20 isoprenoids" RELATED [LIPID_MAPS] synonym: "diterpenoides" RELATED [ChEBI] synonym: "diterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0104 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35190 ! diterpene property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23853 name: dithiol namespace: chebi_ontology subset: 3_STAR synonym: "dithiols" RELATED [ChEBI] is_a: CHEBI:29256 ! thiol [Term] id: CHEBI:23870 name: dodecyl group namespace: chebi_ontology subset: 3_STAR synonym: "CH3-[CH2]11-" RELATED [IUPAC] synonym: "Dod" RELATED [CBN] synonym: "dodecan-1-yl" RELATED [ChEBI] synonym: "dodecyl" EXACT IUPAC_NAME [IUPAC] synonym: "lauryl" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group relationship: is_substituent_group_from CHEBI:28817 ! dodecane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H25" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.32690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.19563" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCC*" xsd:string [Term] id: CHEBI:23872 name: dodecyl sulfate namespace: chebi_ontology subset: 3_STAR synonym: "dodecyl sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dodecyl sulfate" EXACT [UniProt] xref: Beilstein:1820003 {source="Beilstein"} xref: DrugBank:DB03967 xref: Gmelin:336103 {source="Gmelin"} xref: UM-BBD_compID:c0563 {source="UM-BBD"} is_a: CHEBI:58958 ! organosulfate oxoanion relationship: has_role CHEBI:35703 ! xenobiotic relationship: is_conjugate_base_of CHEBI:45599 ! dodecyl hydrogen sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H25O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MOTZDAYCYVMXPC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.39050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "265.14790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCOS([O-])(=O)=O" xsd:string [Term] id: CHEBI:23888 name: drug namespace: chebi_ontology def: "Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances." [] subset: 3_STAR synonym: "drugs" RELATED [ChEBI] synonym: "medicine" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:23891 name: ecdysone antagonists namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24851 ! insect growth regulator [Term] id: CHEBI:23897 name: ecdysteroid namespace: chebi_ontology alt_id: CHEBI:23896 def: "A class of steroids that include insect moulting and sex hormones." [] subset: 3_STAR synonym: "ecdysteroid hormones" RELATED [ChEBI] synonym: "ecdysteroids" RELATED [ChEBI] xref: Wikipedia:Ecdysteroid is_a: CHEBI:35341 ! steroid relationship: has_role CHEBI:24621 ! hormone [Term] id: CHEBI:23899 name: icosanoid namespace: chebi_ontology def: "Any member of the group of signalling molecules arising from oxidation of the three C20 essential fatty acids (EFAs) icosapentaenoic acid (EPA), arachidonic acid (AA) and dihomo-gamma-linolenic acid (DGLA)." [] subset: 3_STAR synonym: "eicosanoid" RELATED [ChEBI] synonym: "eicosanoids" RELATED [ChEBI] synonym: "icosanoid" EXACT [LIPID_MAPS] synonym: "icosanoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMFA03 {source="LIPID MAPS"} xref: PMID:12697726 {source="Europe PMC"} xref: PMID:16107763 {source="Europe PMC"} xref: PMID:19160658 {source="Europe PMC"} xref: PMID:2657063 {source="Europe PMC"} xref: Wikipedia:Eicosanoid is_a: CHEBI:61697 ! fatty acid derivative relationship: is_conjugate_acid_of CHEBI:62937 ! icosanoid anion [Term] id: CHEBI:23905 name: monoatomic anion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:24867 ! monoatomic ion [Term] id: CHEBI:23906 name: monoatomic cation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic cations" RELATED [ChEBI] is_a: CHEBI:24867 ! monoatomic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:23924 name: enzyme inhibitor namespace: chebi_ontology def: "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction." [] subset: 3_STAR synonym: "enzyme inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme inhibitors" RELATED [ChEBI] synonym: "inhibidor enzimatico" RELATED [ChEBI] synonym: "inhibidores enzimaticos" RELATED [ChEBI] synonym: "inhibiteur enzymatique" RELATED [ChEBI] synonym: "inhibiteurs enzymatiques" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:2394 name: acetochlor namespace: chebi_ontology def: "A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively." [] subset: 3_STAR synonym: "2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide" RELATED [ChemIDplus] synonym: "2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide" RELATED [ChemIDplus] synonym: "2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide" RELATED [ChemIDplus] synonym: "2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "Acetochlor" EXACT [KEGG_COMPOUND] synonym: "acetochlor" EXACT [UniProt] synonym: "Acetochlore" RELATED [ChemIDplus] xref: Beilstein:2859702 {source="Beilstein"} xref: CAS:34256-82-1 {source="ChemIDplus"} xref: CAS:34256-82-1 {source="NIST Chemistry WebBook"} xref: CAS:34256-82-1 {source="KEGG COMPOUND"} xref: KEGG:C10925 xref: Pesticides:acetochlor {source="Alan Wood's Pesticides"} xref: PMID:16646021 {source="Europe PMC"} xref: PMID:17534384 {source="Europe PMC"} xref: PPDB:12 xref: Reaxys:2859702 {source="Reaxys"} xref: Wikipedia:Acetochlor is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide relationship: has_functional_parent CHEBI:28884 ! N-phenylacetamide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H20ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTNQPKFIQCLBDU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "269.76684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "269.11826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOCN(C(=O)CCl)c1c(C)cccc1CC" xsd:string [Term] id: CHEBI:23953 name: erythromycins namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25105 ! macrolide antibiotic relationship: has_functional_parent CHEBI:23955 ! erythronolide [Term] id: CHEBI:23955 name: erythronolide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25106 ! macrolide relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:23965 name: estradiol namespace: chebi_ontology alt_id: CHEBI:42364 def: "A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17." [] subset: 3_STAR synonym: "estra-1,3,5(10)-triene-3,17-diol" EXACT IUPAC_NAME [IUPAC] synonym: "oestradiol" RELATED [ChEBI] xref: PMID:10696569 {source="Europe PMC"} xref: PMID:24084694 {source="Europe PMC"} xref: Wikipedia:Estradiol is_a: CHEBI:177917 ! phenolic steroid is_a: CHEBI:36838 ! 17-hydroxy steroid relationship: has_parent_hydride CHEBI:23966 ! estrane relationship: has_role CHEBI:50114 ! estrogen relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17?,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VOXZDWNPVJITMN-WKUFJEKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.38196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3(C)C(O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21" xsd:string [Term] id: CHEBI:23966 name: estrane namespace: chebi_ontology subset: 3_STAR synonym: "estrane" EXACT IUPAC_NAME [IUPAC] synonym: "Oestran" RELATED [ChEBI] synonym: "oestrane" RELATED [JCBN] xref: Beilstein:3125721 {source="Beilstein"} xref: LIPID_MAPS_instance:LMST02010000 {source="LIPID MAPS"} is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H30" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRXPVLPQNMUNNX-MHJRRCNVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "246.43080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.23475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CCCCC1CC[C@]1([H])[C@]2([H])CC[C@]2(C)CCC[C@@]12[H]" xsd:string [Term] id: CHEBI:23976 name: ethanediol namespace: chebi_ontology def: "Any diol that is ethane or substituted ethane carrying two hydroxy groups." [] subset: 3_STAR synonym: "ethanediols" RELATED [ChEBI] is_a: CHEBI:23824 ! diol [Term] id: CHEBI:23981 name: ethanolamines namespace: chebi_ontology subset: 3_STAR synonym: "ethanolamine" RELATED [ChEBI] is_a: CHEBI:22478 ! amino alcohol [Term] id: CHEBI:23982 name: ethanols namespace: chebi_ontology def: "Any primary alcohol based on an ethanol skeleton." [] subset: 3_STAR is_a: CHEBI:15734 ! primary alcohol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:23990 name: ethyl ester namespace: chebi_ontology alt_id: CHEBI:85056 def: "Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol." [] subset: 3_STAR synonym: "carboxylic acid ethyl ester" RELATED [ChEBI] synonym: "carboxylic acid ethyl esters" RELATED [ChEBI] synonym: "ethyl carboxylate" RELATED [ChEBI] synonym: "ethyl carboxylates" RELATED [ChEBI] synonym: "ethyl esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:16236 ! ethanol relationship: has_functional_parent CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC([*])=O" xsd:string [Term] id: CHEBI:23995 name: N-ethyl-N-nitrosourea namespace: chebi_ontology def: "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups." [] subset: 3_STAR synonym: "1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "1-Ethyl-1-nitrosourea" RELATED [ChemIDplus] synonym: "1-ethyl-1-nitrosourea" EXACT IUPAC_NAME [IUPAC] synonym: "Aethylnitroso-harnstoff" RELATED [ChemIDplus] synonym: "ENU" RELATED [ChemIDplus] synonym: "Ethyl nitrosourea" RELATED [ChemIDplus] synonym: "N-Ethyl-N-nitroso carbamide" RELATED [ChemIDplus] synonym: "N-Ethyl-N-nitroso-urea" RELATED [ChemIDplus] synonym: "N-Ethylnitrosourea" RELATED [ChemIDplus] synonym: "NEU" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1761174 {source="Beilstein"} xref: CAS:759-73-9 {source="NIST Chemistry WebBook"} xref: CAS:759-73-9 {source="ChemIDplus"} xref: CAS:759-73-9 {source="KEGG COMPOUND"} xref: KEGG:C19178 xref: PMID:11732210 {source="Europe PMC"} xref: PMID:11853764 {source="Europe PMC"} xref: PMID:11880538 {source="Europe PMC"} xref: PMID:16423555 {source="Europe PMC"} xref: PMID:21861612 {source="Europe PMC"} xref: PMID:22012195 {source="Europe PMC"} xref: PMID:22238669 {source="Europe PMC"} xref: PMID:23551873 {source="Europe PMC"} xref: PMID:24175309 {source="Europe PMC"} xref: PMID:8603364 {source="Europe PMC"} xref: Reaxys:1761174 {source="Reaxys"} xref: Wikipedia:ENU is_a: CHEBI:76551 ! N-nitrosoureas relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUSGACRLAFQQRL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.10660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.05383" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(N=O)C(N)=O" xsd:string [Term] id: CHEBI:23996 name: ethyl sulfide namespace: chebi_ontology def: "An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group." [] subset: 3_STAR synonym: "ethyl sulfides" RELATED [ChEBI] is_a: CHEBI:22327 ! aliphatic sulfide [Term] id: CHEBI:24002 name: ethylene releasers namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26155 ! plant growth regulator [Term] id: CHEBI:24020 name: fat-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess." [] subset: 3_STAR synonym: "fat-soluble vitamin" RELATED [ChEBI] synonym: "fat-soluble vitamins" RELATED [ChEBI] synonym: "fettloesliche Vitamine" RELATED [ChEBI] xref: PMID:31838543 {source="Europe PMC"} xref: PMID:32057251 {source="Europe PMC"} xref: PMID:33549284 {source="Europe PMC"} xref: PMID:34045883 {source="Europe PMC"} is_a: CHEBI:33229 ! vitamin (role) [Term] id: CHEBI:24026 name: fatty alcohol namespace: chebi_ontology def: "An aliphatic alcohol consisting of a chain of 3 to greater than 27 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched." [] subset: 3_STAR synonym: "alcool gras" RELATED [ChEBI] synonym: "fatty alcohol" EXACT [ChEBI] synonym: "fatty alcohols" RELATED [LIPID_MAPS] synonym: "fatty alcohols" RELATED [ChEBI] synonym: "Fettalkohol" RELATED [ChEBI] synonym: "Fettalkohole" RELATED [ChEBI] xref: LIPID_MAPS_class:LMFA05 {source="LIPID MAPS"} xref: MetaCyc:Fatty-Alcohols xref: Wikipedia:Fatty_alcohol is_a: CHEBI:30879 ! alcohol is_a: CHEBI:61697 ! fatty acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[*]" xsd:string [Term] id: CHEBI:24028 name: iron(3+) chelator namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38157 ! iron chelator [Term] id: CHEBI:24031 name: ferulic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24688 ! monohydroxycinnamic acid is_a: CHEBI:33853 ! phenols is_a: CHEBI:35618 ! aromatic ether [Term] id: CHEBI:24043 name: flavones namespace: chebi_ontology def: "A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "2-aryl-1-benzopyran-4-one" RELATED [] synonym: "2-aryl-1-benzopyran-4-ones" RELATED [] synonym: "2-arylchromen-4-one" RELATED [] synonym: "2-arylchromen-4-ones" RELATED [] synonym: "a flavone" RELATED [] xref: MetaCyc:Flavones xref: Wikipedia:Flavone is_a: CHEBI:192499 ! anthoxanthin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15O2R10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C2=C(C(C(=C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:24059 name: fluorenes namespace: chebi_ontology def: "An ortho-fused polycyclic arene in which the skeleton is composed of two benzene rings ortho-fused to cyclopentane." [] subset: 3_STAR is_a: CHEBI:38032 ! carbotricyclic compound relationship: has_parent_hydride CHEBI:28266 ! fluorene relationship: has_role CHEBI:35703 ! xenobiotic [Term] id: CHEBI:24060 name: fluoride salt namespace: chebi_ontology subset: 3_STAR synonym: "fluoride salts" RELATED [ChEBI] synonym: "fluorides" RELATED [ChEBI] is_a: CHEBI:24062 ! fluorine molecular entity is_a: CHEBI:33958 ! halide salt relationship: has_part CHEBI:17051 ! fluoride [Term] id: CHEBI:24061 name: fluorine atom namespace: chebi_ontology subset: 3_STAR synonym: "9F" RELATED [IUPAC] synonym: "F" RELATED [IUPAC] synonym: "Fluor" RELATED [ChemIDplus] synonym: "fluor" RELATED [ChEBI] synonym: "fluorine" EXACT IUPAC_NAME [IUPAC] synonym: "fluorine" RELATED [ChEBI] synonym: "fluorum" RELATED [ChEBI] xref: CAS:7782-41-4 {source="ChemIDplus"} xref: WebElements:F is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCKRFDGAMUMZLT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F]" xsd:string [Term] id: CHEBI:24062 name: fluorine molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "fluorine compounds" RELATED [ChEBI] synonym: "fluorine molecular entities" RELATED [ChEBI] synonym: "fluorine molecular entity" EXACT [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:24061 ! fluorine atom [Term] id: CHEBI:24067 name: fluoroalkane namespace: chebi_ontology def: "A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom." [] subset: 3_STAR synonym: "fluoroalkane" EXACT [ChEBI] synonym: "fluoroalkanes" RELATED [ChEBI] is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:24079 name: formamides namespace: chebi_ontology def: "Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H)." [] subset: 3_STAR is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:24127 name: fungicide namespace: chebi_ontology def: "A substance used to destroy fungal pests." [] subset: 3_STAR synonym: "fungicides" RELATED [ChEBI] is_a: CHEBI:25944 ! pesticide is_a: CHEBI:35718 ! antifungal agent [Term] id: CHEBI:24129 name: furans namespace: chebi_ontology def: "Compounds containing at least one furan ring." [] subset: 3_STAR synonym: "oxacyclopenta-2,4-dienes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24156 name: galactosamine namespace: chebi_ontology subset: 3_STAR synonym: "galactosamines" RELATED [ChEBI] is_a: CHEBI:24586 ! hexosamine [Term] id: CHEBI:24250 name: gibberellin namespace: chebi_ontology subset: 3_STAR synonym: "gibberellins" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid is_a: CHEBI:33575 ! carboxylic acid relationship: has_parent_hydride CHEBI:36766 ! ent-gibberellane relationship: has_role CHEBI:37848 ! plant hormone relationship: is_conjugate_acid_of CHEBI:59139 ! gibberellin carboxylic acid anion [Term] id: CHEBI:24261 name: glucocorticoid namespace: chebi_ontology def: "Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood." [] subset: 3_STAR synonym: "glucocorticoids" RELATED [ChEBI] is_a: CHEBI:36699 ! corticosteroid hormone [Term] id: CHEBI:24268 name: glucooligosaccharide namespace: chebi_ontology def: "An oligosaccharide comprised of glucose residues." [] subset: 3_STAR synonym: "glucooligosaccharides" RELATED [ChEBI] is_a: CHEBI:50699 ! oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24271 name: glucosamines namespace: chebi_ontology def: "Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group." [] subset: 3_STAR is_a: CHEBI:24586 ! hexosamine property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24278 name: glucoside namespace: chebi_ontology subset: 3_STAR synonym: "glucosides" RELATED [ChEBI] is_a: CHEBI:35313 ! hexoside is_a: CHEBI:50753 ! isoflavonoid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24315 name: glutamic acid derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues." [] subset: 3_STAR is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:18237 ! glutamic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24318 name: glutamine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class." [] subset: 3_STAR synonym: "glutamine family amino acids" RELATED [ChEBI] xref: PMID:20716061 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:24319 name: EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor namespace: chebi_ontology def: "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2)." [] subset: 3_STAR synonym: "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 6.3.1.2 inhibitors" RELATED [ChEBI] synonym: "glutamate--ammonia ligase (EC 6.3.1.2) inhibitor" RELATED [ChEBI] synonym: "glutamate--ammonia ligase (EC 6.3.1.2) inhibitors" RELATED [ChEBI] synonym: "glutamate--ammonia ligase inhibitor" RELATED [ChEBI] synonym: "glutamate--ammonia ligase inhibitors" RELATED [ChEBI] synonym: "glutamine synthetase inhibitor" RELATED [ChEBI] synonym: "glutamine synthetase inhibitors" RELATED [ChEBI] synonym: "glutamylhydroxamic synthetase inhibitor" RELATED [ChEBI] synonym: "glutamylhydroxamic synthetase inhibitors" RELATED [ChEBI] synonym: "L-glutamate:ammonia ligase (ADP-forming) inhibitor" RELATED [ChEBI] synonym: "L-glutamate:ammonia ligase (ADP-forming) inhibitors" RELATED [ChEBI] synonym: "L-glutamine synthetase inhibitor" RELATED [ChEBI] synonym: "L-glutamine synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glutamine_synthetase is_a: CHEBI:76823 ! EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor [Term] id: CHEBI:24353 name: glycerol ether namespace: chebi_ontology def: "Any ether having glyceryl as at least one of the O-substituents." [] subset: 3_STAR is_a: CHEBI:25698 ! ether relationship: has_functional_parent CHEBI:17754 ! glycerol [Term] id: CHEBI:24373 name: glycine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom." [] subset: 3_STAR is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:15428 ! glycine [Term] id: CHEBI:24384 name: glycogens is_a: CHEBI:37163 ! glucan property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24396 name: glycopeptide namespace: chebi_ontology alt_id: CHEBI:24395 alt_id: CHEBI:5478 def: "Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide." [] subset: 3_STAR synonym: "glycopeptides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:16670 ! peptide is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:24400 name: glycoside namespace: chebi_ontology def: "A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively." [] subset: 3_STAR synonym: "glycosides" EXACT IUPAC_NAME [IUPAC] synonym: "glycosides" RELATED [ChEBI] synonym: "O-glycoside" RELATED [ChEBI] synonym: "O-glycosides" RELATED [ChEBI] is_a: CHEBI:63161 ! glycosyl compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24405 name: glycosylglucose namespace: chebi_ontology subset: 3_STAR synonym: "glycosylglucoses" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24407 name: glycosyl glycoside namespace: chebi_ontology def: "Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres." [] subset: 3_STAR synonym: "glycosyl glycoside" EXACT [ChEBI] synonym: "glycosyl glycosides" RELATED [ChEBI] is_a: CHEBI:36233 ! disaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24431 name: chemical entity namespace: chebi_ontology def: "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." [] subset: 3_STAR synonym: "chemical entity" EXACT [UniProt] is_a: BFO:0000040 ! material entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24432 name: biological role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a biological context." [] subset: 3_STAR synonym: "biological function" RELATED [ChEBI] is_a: BFO:0000023 ! role is_a: CHEBI:50906 ! role property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24433 name: group namespace: chebi_ontology def: "A defined linked collection of atoms or a single atom within a molecular entity." [] subset: 3_STAR synonym: "group" EXACT IUPAC_NAME [IUPAC] synonym: "groupe" RELATED [IUPAC] synonym: "grupo" RELATED [IUPAC] synonym: "grupos" RELATED [IUPAC] synonym: "Gruppe" RELATED [ChEBI] synonym: "Rest" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:33250 ! atom [Term] id: CHEBI:24436 name: guanidines namespace: chebi_ontology def: "Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:24455 name: guanosine phosphate namespace: chebi_ontology subset: 3_STAR synonym: "guanosine phosphates" RELATED [ChEBI] is_a: CHEBI:61295 ! guanyl ribonucleotide [Term] id: CHEBI:24469 name: haloalkane namespace: chebi_ontology def: "A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom." [] subset: 3_STAR synonym: "alkyl halide" RELATED [ChEBI] synonym: "alkyl halides" RELATED [ChEBI] synonym: "haloalkanes" RELATED [ChEBI] is_a: CHEBI:24472 ! halohydrocarbon [Term] id: CHEBI:24470 name: haloamino acid namespace: chebi_ontology def: "Any non-proteinogenic amino acid carrying at least one halo group." [] subset: 3_STAR synonym: "haloamino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:24471 name: halogen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "halogen compounds" RELATED [ChEBI] synonym: "halogen molecular entities" RELATED [ChEBI] synonym: "halogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:24473 ! halogen property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24472 name: halohydrocarbon namespace: chebi_ontology def: "A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom." [] subset: 3_STAR synonym: "halogenated hydrocarbons" RELATED [ChEBI] synonym: "halohydrocarbons" RELATED [ChEBI] is_a: CHEBI:17792 ! organohalogen compound relationship: has_parent_hydride CHEBI:24632 ! hydrocarbon [Term] id: CHEBI:24473 name: halogen namespace: chebi_ontology subset: 3_STAR synonym: "group 17 elements" RELATED [ChEBI] synonym: "group VII elements" RELATED [ChEBI] synonym: "halogen" EXACT IUPAC_NAME [IUPAC] synonym: "Halogene" RELATED [ChEBI] synonym: "halogene" RELATED [ChEBI] synonym: "halogenes" RELATED [ChEBI] synonym: "halogeno" RELATED [ChEBI] synonym: "halogenos" RELATED [ChEBI] synonym: "halogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:24505 name: heparins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:35722 ! sulfated glycosaminoglycan is_a: CHEBI:37395 ! mucopolysaccharide [Term] id: CHEBI:24527 name: herbicide namespace: chebi_ontology def: "A substance used to destroy plant pests." [] subset: 3_STAR synonym: "herbicides" RELATED [ChEBI] synonym: "Herbizid" RELATED [ChEBI] synonym: "Unkrautbekaempfungsmittel" RELATED [ChEBI] synonym: "Unkrautvertilgungsmittel" RELATED [ChEBI] synonym: "Wildkrautbekaempfungsmittel" RELATED [ChEBI] xref: Wikipedia:Herbicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:24531 name: heterocyclic antibiotic namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24532 ! organic heterocyclic compound relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:24532 name: organic heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of carbon and at least of one other element." [] subset: 3_STAR synonym: "organic heterocycle" RELATED [ChEBI] synonym: "organic heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33832 ! organic cyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24533 name: heterodetic cyclic peptide namespace: chebi_ontology def: "A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond." [] subset: 3_STAR synonym: "heterodetic cyclic peptide" EXACT IUPAC_NAME [IUPAC] synonym: "heterodetic cyclic peptides" RELATED [ChEBI] synonym: "peptide cyclique heterodetique" RELATED [IUPAC] synonym: "peptido ciclico heterodetico" RELATED [IUPAC] is_a: CHEBI:23449 ! cyclic peptide [Term] id: CHEBI:24536 name: hexachlorocyclohexane namespace: chebi_ontology subset: 3_STAR synonym: "1,2,3,4,5,6-Hexachlorocyclohexane" RELATED [KEGG_COMPOUND] synonym: "1,2,3,4,5,6-hexachlorocyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "benzene hexachloride" RELATED [ChemIDplus] synonym: "BHC" RELATED [ChemIDplus] synonym: "HCH" RELATED [ChemIDplus] synonym: "Hexachlorcyclohexan" RELATED [ChEBI] synonym: "hexachlorocyclohexane" EXACT [ChemIDplus] synonym: "hexachlorocyclohexanes" RELATED [ChemIDplus] synonym: "Hexachlorzyklohexan" RELATED [ChEBI] xref: Beilstein:1907331 {source="ChemIDplus"} xref: CAS:608-73-1 {source="ChemIDplus"} xref: CAS:608-73-1 {source="KEGG COMPOUND"} xref: Gmelin:261134 {source="Gmelin"} xref: KEGG:C18738 xref: PMID:31394347 {source="Europe PMC"} xref: PMID:32827819 {source="Europe PMC"} is_a: CHEBI:39154 ! chlorocyclohexane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYXXMFPNIAWKQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.82804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.86007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl" xsd:string [Term] id: CHEBI:24556 name: 1,3,5-trinitro-1,3,5-triazinane namespace: chebi_ontology def: "An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives." [] subset: 3_STAR synonym: "1,3,5-trinitro-1,3,5-triazacyclohexane" RELATED [ChemIDplus] synonym: "1,3,5-trinitro-1,3,5-triazinane" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,5-trinitrohexahydro-1,3,5-triazine" RELATED [ChemIDplus] synonym: "1,3,5-trinitrohexahydro-s-triazine" RELATED [ChemIDplus] synonym: "Cyclonite" RELATED [ChemIDplus] synonym: "cyclotrimethylenetrinitramine" RELATED [ChemIDplus] synonym: "hexahydro-1,3,5-trinitro-1,3,5-triazine" RELATED [UM-BBD] synonym: "Hexogen" RELATED [NIST_Chemistry_WebBook] synonym: "RDX" RELATED [ChemIDplus] synonym: "sym-trimethylene trinitramine" RELATED [ChemIDplus] synonym: "trimethyleentrinitramine" RELATED [ChemIDplus] synonym: "trinitrotrimethylenetriamine" RELATED [ChemIDplus] xref: CAS:121-82-4 {source="ChemIDplus"} xref: CAS:121-82-4 {source="NIST Chemistry WebBook"} xref: Gmelin:985564 {source="Gmelin"} xref: PMID:25142696 {source="Europe PMC"} xref: PMID:26247847 {source="Europe PMC"} xref: PMID:26552520 {source="Europe PMC"} xref: PMID:27010164 {source="Europe PMC"} xref: PMID:27285383 {source="Europe PMC"} xref: PMID:27301804 {source="Europe PMC"} xref: PMID:27387802 {source="Europe PMC"} xref: UM-BBD_compID:c0639 {source="UM-BBD"} xref: Wikipedia:RDX is_a: CHEBI:38779 ! 1,3,5-triazinanes is_a: CHEBI:38780 ! N-nitro compound relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6N6O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XTFIVUDBNACUBN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.11658" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.03488" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:24565 name: hexamethylphosphoric triamide namespace: chebi_ontology subset: 3_STAR synonym: "HEMPA" RELATED [NIST_Chemistry_WebBook] synonym: "hexamethylorthophosphoric triamide" RELATED [NIST_Chemistry_WebBook] synonym: "Hexamethylphosphoramid" RELATED [ChEBI] synonym: "hexamethylphosphoramide" RELATED [ChEBI] synonym: "hexamethylphosphoric acid triamide" RELATED [ChemIDplus] synonym: "hexamethylphosphoric triamide" EXACT [ChemIDplus] synonym: "Hexamethylphosphorsaeuretriamid" RELATED [ChEBI] synonym: "HMPA" RELATED [ChemIDplus] synonym: "HMPA" RELATED [KEGG_COMPOUND] synonym: "HMPT" RELATED [ChemIDplus] synonym: "HMPTA" RELATED [ChemIDplus] synonym: "N,N,N',N',N'',N''-hexamethylphosphoric triamide" EXACT IUPAC_NAME [IUPAC] synonym: "phosphoric acid hexamethyltriamide" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoric hexamethyltriamide" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoric tris(dimethylamide)" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1099903 {source="Beilstein"} xref: CAS:680-31-9 {source="ChemIDplus"} xref: CAS:680-31-9 {source="NIST Chemistry WebBook"} xref: CAS:680-31-9 {source="KEGG COMPOUND"} xref: Gmelin:3259 {source="Gmelin"} xref: KEGG:C19250 is_a: CHEBI:17102 ! phosphoramide relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:67105 ! insect sterilant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H18N3OP" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNOIPBMMFNIUFM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.20050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.11875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)P(=O)(N(C)C)N(C)C" xsd:string [Term] id: CHEBI:24580 name: hexenoic acid namespace: chebi_ontology def: "A C6, medium-chain fatty acid carrying a double bond at any position along the main chain." [] subset: 3_STAR synonym: "hexenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexenoic acids" RELATED [ChEBI] is_a: CHEBI:25413 ! monounsaturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.143" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.06808" xsd:string [Term] id: CHEBI:24583 name: hexitol namespace: chebi_ontology subset: 3_STAR synonym: "hexitol" EXACT [ChEBI] synonym: "hexitols" RELATED [ChEBI] is_a: CHEBI:17522 ! alditol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24586 name: hexosamine namespace: chebi_ontology def: "Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group." [] subset: 3_STAR synonym: "hexosamine" EXACT [ChEBI] synonym: "hexosamines" RELATED [ChEBI] is_a: CHEBI:60926 ! amino monosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24621 name: hormone namespace: chebi_ontology def: "Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds." [] subset: 3_STAR synonym: "endocrine" RELATED [ChEBI] synonym: "hormones" RELATED [ChEBI] is_a: CHEBI:33280 ! molecular messenger is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:24628 name: imidazolidine-2,4-dione namespace: chebi_ontology def: "An imidazolidinone with oxo groups at position 2 and 4." [] subset: 3_STAR is_a: CHEBI:55370 ! imidazolidinone [Term] id: CHEBI:24631 name: hydrazines namespace: chebi_ontology def: "Hydrazine (diazane) and its substituted derivatives." [] subset: 3_STAR synonym: "hydrazines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:24632 name: hydrocarbon namespace: chebi_ontology def: "A compound consisting of carbon and hydrogen only." [] subset: 3_STAR synonym: "hidrocarburo" RELATED [IUPAC] synonym: "hidrocarburos" RELATED [IUPAC] synonym: "hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbure" RELATED [IUPAC] synonym: "Kohlenwasserstoff" RELATED [ChEBI] synonym: "Kohlenwasserstoffe" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24644 name: HPETE namespace: chebi_ontology def: "Mono-hydroperoxy (e)icosatetraenoic acids (HPETEs) are the primary products of lipoxygenase-catalysed oxygenation of arachidonic acid." [] subset: 3_STAR synonym: "HPETEs" RELATED [ChEBI] synonym: "Mono-hydroperoxy icosatetraenoic acids" RELATED [ChEBI] is_a: CHEBI:189832 ! hydroperoxy polyunsaturated fatty acid is_a: CHEBI:23899 ! icosanoid relationship: is_conjugate_acid_of CHEBI:59720 ! HPETE anion [Term] id: CHEBI:24648 name: hydroxamic acid anion namespace: chebi_ontology def: "An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid." [] subset: 3_STAR synonym: "hydroxamate" RELATED [ChEBI] synonym: "hydroxamates" RELATED [ChEBI] synonym: "hydroxamic acid anions" RELATED [ChEBI] synonym: "hydroxamic anion" RELATED [ChEBI] synonym: "hydroxamic anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:24650 ! hydroxamic acid [Term] id: CHEBI:24650 name: hydroxamic acid namespace: chebi_ontology def: "A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides." [] subset: 3_STAR synonym: "hydroxamic acids" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxamic acids" RELATED [ChEBI] synonym: "N-hydroxy amide" RELATED [ChEBI] synonym: "N-hydroxy amides" RELATED [ChEBI] synonym: "N-hydroxy-amide" RELATED [ChEBI] synonym: "N-hydroxy-amides" RELATED [ChEBI] synonym: "N-hydroxyamide" RELATED [ChEBI] synonym: "N-hydroxyamides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide relationship: is_conjugate_acid_of CHEBI:24648 ! hydroxamic acid anion [Term] id: CHEBI:24651 name: hydroxides namespace: chebi_ontology def: "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-))." [] subset: 3_STAR is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:43176 ! hydroxy group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24654 name: hydroxy fatty acid namespace: chebi_ontology def: "Any fatty acid carrying one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxy fatty acids" RELATED [LIPID_MAPS] xref: LIPID_MAPS_class:LMFA0105 {source="LIPID MAPS"} xref: PMID:18296335 {source="Europe PMC"} xref: PMID:6419288 {source="Europe PMC"} xref: PMID:8274032 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid is_a: CHEBI:35868 ! hydroxy monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:59835 ! hydroxy fatty acid anion [Term] id: CHEBI:24662 name: hydroxy-amino acid namespace: chebi_ontology def: "A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions." [] subset: 3_STAR is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] id: CHEBI:24663 name: hydroxy-5beta-cholanic acid namespace: chebi_ontology def: "Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position." [] subset: 3_STAR synonym: "hydroxy-5beta-cholanic acids" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:36248 ! 5beta-cholanic acids relationship: has_functional_parent CHEBI:36238 ! 5beta-cholanic acid [Term] id: CHEBI:24669 name: hydroxy carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid with at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxy carboxylic acids" RELATED [ChEBI] synonym: "hydroxycarboxylic acid" RELATED [ChEBI] synonym: "hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:24675 name: hydroxybenzoate namespace: chebi_ontology def: "Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:24676 ! hydroxybenzoic acid [Term] id: CHEBI:24676 name: hydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:50778 def: "Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring." [] subset: 3_STAR synonym: "hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:166890 ! phenolic acid is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:30746 ! benzoic acid relationship: is_conjugate_acid_of CHEBI:24675 ! hydroxybenzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.121" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24677 name: hydroxybenzophenone namespace: chebi_ontology def: "Any benzophenone into which is substituted one or more hydroxy groups." [] subset: 3_STAR is_a: CHEBI:22726 ! benzophenones is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:2468 name: secondary alpha-hydroxy ketone namespace: chebi_ontology def: "An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups." [] subset: 3_STAR synonym: "acyloin" RELATED [ChEBI] synonym: "acyloins" RELATED [ChEBI] synonym: "secondary alpha-hydroxy ketones" RELATED [ChEBI] synonym: "secondary alpha-hydroxy-ketone" RELATED [ChEBI] synonym: "secondary alpha-hydroxy-ketones" RELATED [ChEBI] synonym: "secondary alpha-hydroxyketone" RELATED [ChEBI] synonym: "secondary alpha-hydroxyketones" RELATED [ChEBI] xref: Wikipedia:Acyloin is_a: CHEBI:139588 ! alpha-hydroxy ketone is_a: CHEBI:35681 ! secondary alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.036" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)*)(O)([H])*" xsd:string [Term] id: CHEBI:24688 name: monohydroxycinnamic acid namespace: chebi_ontology subset: 3_STAR synonym: "monohydroxycinnamic acids" RELATED [ChEBI] is_a: CHEBI:24689 ! hydroxycinnamic acid [Term] id: CHEBI:24689 name: hydroxycinnamic acid namespace: chebi_ontology def: "Any member of the class of cinnamic acids carrying one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxycinnamic acids" RELATED [ChEBI] is_a: CHEBI:23252 ! cinnamic acids [Term] id: CHEBI:24697 name: hydroxyflavanone name: hydroxyflavanone namespace: chebi_ontology def: "A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxyflavanone" EXACT [] synonym: "hydroxyflavanones" RELATED [] is_a: CHEBI:5070 ! flavanone property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:24698 name: hydroxyflavone name: hydroxyflavone namespace: chebi_ontology def: "Any flavone in which one or more ring hydrogens are replaced by hydroxy groups." [] subset: 3_STAR synonym: "hydroxyflavones" RELATED [] is_a: CHEBI:42491 ! flavone property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:24709 name: hydroxylamines namespace: chebi_ontology def: "Hydroxylamine, H2N-OH, and its hydrocarbyl derivatives." [] subset: 3_STAR is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:24727 name: hydroxynaphthalene namespace: chebi_ontology def: "Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups." [] subset: 3_STAR is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:24730 name: hydroxynitrile namespace: chebi_ontology def: "Any nitrile compound which also contains a hydroxy group." [] subset: 3_STAR is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:24734 name: hydroxyphenylalanine namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24662 ! hydroxy-amino acid is_a: CHEBI:25985 ! phenylalanine derivative is_a: CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:24751 name: hydroxytoluene namespace: chebi_ontology def: "Any member of the class of toluenes carrying one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxytoluene" EXACT [ChEBI] synonym: "hydroxytoluenes" RELATED [ChEBI] is_a: CHEBI:27024 ! toluenes is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:24757 name: hypochlorous acid namespace: chebi_ontology def: "A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water." [] subset: 3_STAR synonym: "[ClOH]" RELATED [IUPAC] synonym: "Chlor(I)-saeure" RELATED [ChEBI] synonym: "chloranol" EXACT IUPAC_NAME [IUPAC] synonym: "HClO" RELATED [IUPAC] synonym: "HOCl" RELATED [IUPAC] synonym: "hydroxidochlorine" EXACT IUPAC_NAME [IUPAC] synonym: "hypochloric acid" RELATED [ChEBI] synonym: "hypochlorige Saeure" RELATED [ChEBI] synonym: "hypochlorous acid" EXACT IUPAC_NAME [IUPAC] synonym: "hypochlorous acid" EXACT [UniProt] xref: CAS:7790-92-3 {source="NIST Chemistry WebBook"} xref: CAS:7790-92-3 {source="ChemIDplus"} xref: Gmelin:688 {source="Gmelin"} xref: PMID:11640916 {source="Europe PMC"} xref: PMID:12079432 {source="Europe PMC"} xref: PMID:12215218 {source="Europe PMC"} xref: PMID:15589368 {source="Europe PMC"} xref: PMID:7487057 {source="Europe PMC"} xref: PMID:8072005 {source="Europe PMC"} is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:33426 ! chlorine oxoacid relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:76797 ! EC 2.5.1.18 (glutathione transferase) inhibitor relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:29222 ! hypochlorite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClHO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO/c1-2/h2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWPPOHNGKGFGJK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "52.46004" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "51.97159" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCl" xsd:string [Term] id: CHEBI:24780 name: imidazoles namespace: chebi_ontology def: "A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton." [] subset: 3_STAR is_a: CHEBI:23677 ! diazole property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24782 name: imide namespace: chebi_ontology subset: 3_STAR synonym: "imide" EXACT [ChEBI] synonym: "imides" RELATED [ChEBI] is_a: CHEBI:33257 ! secondary amide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24783 name: imine namespace: chebi_ontology def: "Compounds having the structure RN=CR2 (R = H, hydrocarbyl). Thus analogues of aldehydes or ketones, having NR doubly bonded to carbon; aldimines have the structure RCH=NR, ketimines have the structure R'2C=NR (where R' is not H). Imines include azomethines and Schiff bases. Imine is used as a suffix in systematic nomenclature to denote the C=NH group excluding the carbon atom." [] subset: 3_STAR synonym: "imine" EXACT [ChEBI] synonym: "imines" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=N\\[*]" xsd:string [Term] id: CHEBI:24789 name: indanones namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:46940 ! indanes [Term] id: CHEBI:24803 name: indole-3-acetic acids namespace: chebi_ontology def: "An indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid." [] subset: 3_STAR is_a: CHEBI:24810 ! indol-3-yl carboxylic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid [Term] id: CHEBI:24810 name: indol-3-yl carboxylic acid namespace: chebi_ontology def: "Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group." [] subset: 3_STAR synonym: "indol-3-yl carboxylic acids" RELATED [ChEBI] is_a: CHEBI:46867 ! indolyl carboxylic acid [Term] id: CHEBI:24814 name: indole-3-methanol namespace: chebi_ontology def: "An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity." [] subset: 3_STAR synonym: "1H-indol-3-ylmethanol" EXACT IUPAC_NAME [IUPAC] synonym: "3-hydroxymethylindole" RELATED [ChemIDplus] synonym: "3-indolylcarbinol" RELATED [ChemIDplus] synonym: "indole-3-carbinol" RELATED [ChemIDplus] synonym: "indole-3-methanol" EXACT [ChemIDplus] xref: Beilstein:121323 {source="Beilstein"} xref: CAS:700-06-1 {source="ChemIDplus"} xref: Gmelin:1603301 {source="Gmelin"} xref: HMDB:HMDB0005785 xref: LINCS:LSM-2011 xref: PMID:11755234 {source="Europe PMC"} xref: PMID:16634522 {source="Europe PMC"} xref: PMID:19064917 {source="Europe PMC"} xref: PMID:23800833 {source="Europe PMC"} xref: PMID:24200994 {source="Europe PMC"} xref: PMID:24357105 {source="Europe PMC"} xref: PMID:24488207 {source="Europe PMC"} xref: Reaxys:121323 {source="Reaxys"} xref: Wikipedia:Indole-3-carbinol is_a: CHEBI:38467 ! indolyl alcohol relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IVYPNXXAYMYVSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.17390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCc1c[nH]c2ccccc12" xsd:string [Term] id: CHEBI:24828 name: indoles namespace: chebi_ontology def: "Any compound containing an indole skeleton." [] subset: 3_STAR is_a: CHEBI:22728 ! benzopyrrole property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24829 name: indolones namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24828 ! indoles [Term] id: CHEBI:24833 name: oxoacid namespace: chebi_ontology def: "A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR synonym: "oxacids" RELATED [ChEBI] synonym: "oxiacids" RELATED [ChEBI] synonym: "oxo acid" RELATED [ChEBI] synonym: "oxoacid" EXACT IUPAC_NAME [IUPAC] synonym: "oxoacids" EXACT IUPAC_NAME [IUPAC] synonym: "oxy-acids" RELATED [ChEBI] synonym: "oxyacids" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides relationship: has_role CHEBI:39141 ! Bronsted acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24834 name: inorganic anion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:24835 name: inorganic molecular entity namespace: chebi_ontology def: "A molecular entity that contains no carbon." [] subset: 3_STAR synonym: "anorganische Verbindungen" RELATED [ChEBI] synonym: "inorganic compounds" RELATED [ChEBI] synonym: "inorganic entity" RELATED [ChEBI] synonym: "inorganic molecular entities" RELATED [ChEBI] synonym: "inorganics" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24836 name: inorganic oxide namespace: chebi_ontology subset: 3_STAR synonym: "inorganic oxides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25741 ! oxide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24837 name: inorganic peroxide namespace: chebi_ontology def: "Compounds of structure ROOR' in which R and R' are inorganic groups." [] subset: 3_STAR synonym: "inorganic peroxide" EXACT [ChEBI] synonym: "inorganic peroxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:25940 ! peroxides [Term] id: CHEBI:24838 name: inorganic phosphate def: "Any phosphate that contains no carbon atom." [] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:26020 ! phosphate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24839 name: inorganic salt namespace: chebi_ontology subset: 3_STAR synonym: "anorganisches Salz" RELATED [ChEBI] synonym: "inorganic salts" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24866 ! salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24840 name: inorganic sulfate salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sulfate salts" RELATED [] synonym: "inorganic sulfates" RELATED [] is_a: CDNO:0000021 ! dietary sulfur is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:35175 ! sulfate salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24848 name: inositol namespace: chebi_ontology def: "Any cyclohexane-1,2,3,4,5,6-hexol." [] subset: 3_STAR synonym: "1,2,3,4,5,6-cyclohexanehexol" RELATED [ChEBI] synonym: "inositol" EXACT [IUBMB] synonym: "inositols" EXACT IUPAC_NAME [IUPAC] synonym: "inositols" RELATED [ChEBI] is_a: CHEBI:23451 ! cyclitol is_a: CHEBI:37206 ! hexol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CDAISMWEOUEBRE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1C(O)C(O)C(O)C(O)C1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:24850 name: insect attractant namespace: chebi_ontology def: "A chemical that attracts insects." [] subset: 3_STAR synonym: "insect attractants" RELATED [ChEBI] xref: PMID:7044287 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:24851 name: insect growth regulator namespace: chebi_ontology def: "A growth regulator that inhibits the life cycle of an insect." [] subset: 3_STAR synonym: "insect growth regulators" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide is_a: CHEBI:39317 ! growth regulator [Term] id: CHEBI:24852 name: insecticide namespace: chebi_ontology def: "Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects." [] subset: 3_STAR synonym: "insecticides" RELATED [ChEBI] xref: Wikipedia:Insecticide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:24853 name: intercalator namespace: chebi_ontology def: "A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages." [] subset: 3_STAR synonym: "agente intercalante" RELATED [ChEBI] synonym: "intercalating agent" RELATED [ChEBI] synonym: "intercalating agents" RELATED [ChEBI] synonym: "intercalating ligands" RELATED [ChEBI] synonym: "intercalators" RELATED [ChEBI] is_a: CHEBI:25435 ! mutagen [Term] id: CHEBI:24859 name: iodine atom namespace: chebi_ontology def: "Chemical element with atomic number 53." [] subset: 3_STAR synonym: "53I" RELATED [IUPAC] synonym: "I" RELATED [ChEBI] synonym: "Iod" RELATED [ChEBI] synonym: "iode" RELATED [ChEBI] synonym: "iodine" EXACT IUPAC_NAME [IUPAC] synonym: "iodine" RELATED [ChEBI] synonym: "iodium" RELATED [ChEBI] synonym: "J" RELATED [ChEBI] synonym: "Jod" RELATED [ChEBI] synonym: "yodo" RELATED [ChEBI] xref: WebElements:I is_a: CHEBI:24473 ! halogen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "I" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/I" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCYVEMRRCGMTRW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.90447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[I]" xsd:string [Term] id: CHEBI:24860 name: iodine molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iodine compounds" RELATED [ChEBI] synonym: "iodine molecular entities" RELATED [ChEBI] synonym: "iodine molecular entity" EXACT [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity relationship: has_part CHEBI:24859 ! iodine atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24862 name: iodoamino acid namespace: chebi_ontology def: "An amino acid containing at least one iodo substituent." [] subset: 3_STAR is_a: CHEBI:24470 ! haloamino acid is_a: CHEBI:37142 ! organoiodine compound [Term] id: CHEBI:24863 name: iodophenol namespace: chebi_ontology subset: 3_STAR synonym: "iodophenol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:38856 ! halophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5IO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.93851" xsd:string [Term] id: CHEBI:24864 name: iodothyronine namespace: chebi_ontology def: "An iodoamino acid in which the amino acid specified is thyronine." [] subset: 3_STAR synonym: "iodothyronines" RELATED [ChEBI] is_a: CHEBI:24862 ! iodoamino acid is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:30661 ! thyronine relationship: is_conjugate_acid_of CHEBI:63477 ! iodothyroninate [Term] id: CHEBI:24866 name: salt namespace: chebi_ontology def: "A salt is an assembly of cations and anions." [] subset: 3_STAR synonym: "ionic compound" RELATED [ChEBI] synonym: "ionic compounds" RELATED [ChEBI] synonym: "sal" RELATED [ChEBI] synonym: "sales" RELATED [ChEBI] synonym: "salt" EXACT IUPAC_NAME [IUPAC] synonym: "salts" RELATED [ChEBI] synonym: "Salz" RELATED [ChEBI] synonym: "Salze" RELATED [ChEBI] synonym: "sel" RELATED [ChEBI] synonym: "sels" RELATED [ChEBI] is_a: CDNO:0000001 ! dietary chemical component is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_part CHEBI:22563 ! anion relationship: has_part CHEBI:36916 ! cation property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24867 name: monoatomic ion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:33238 ! monoatomic entity [Term] id: CHEBI:24868 name: organic salt namespace: chebi_ontology subset: 3_STAR synonym: "organic salts" RELATED [ChEBI] synonym: "organisches Salz" RELATED [ChEBI] is_a: CHEBI:24866 ! salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24869 name: ionophore namespace: chebi_ontology def: "A compound which can carry specific ions through membranes of cells or organelles." [] subset: 3_STAR synonym: "ionophore" EXACT IUPAC_NAME [IUPAC] synonym: "ionophores" RELATED [ChEBI] xref: Wikipedia:Ionophore is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:24870 name: ion namespace: chebi_ontology def: "A molecular entity having a net electric charge." [] subset: 3_STAR synonym: "Ion" EXACT [ChEBI] synonym: "ion" EXACT IUPAC_NAME [IUPAC] synonym: "ion" EXACT [ChEBI] synonym: "Ionen" RELATED [ChEBI] synonym: "iones" RELATED [ChEBI] synonym: "ions" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24873 name: iron molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron compounds" RELATED [ChEBI] synonym: "iron molecular entities" RELATED [ChEBI] synonym: "iron molecular entity" EXACT [ChEBI] is_a: CHEBI:33744 ! iron group molecular entity relationship: has_part CHEBI:18248 ! iron atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24874 name: iron ionophore namespace: chebi_ontology def: "Any ionophore capable of transportation of iron ions across membranes." [] subset: 3_STAR synonym: "iron ionophores" RELATED [ChEBI] is_a: CHEBI:24869 ! ionophore [Term] id: CHEBI:24875 name: iron cation namespace: chebi_ontology subset: 3_STAR synonym: "Fe cation" RELATED [UniProt] synonym: "iron cation" EXACT IUPAC_NAME [IUPAC] synonym: "iron cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:82663 ! elemental iron relationship: has_role CHEBI:23357 ! cofactor property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.845" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93494" xsd:string [Term] id: CHEBI:24897 name: isoindoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22728 ! benzopyrrole [Term] id: CHEBI:24913 name: isoprenoid namespace: chebi_ontology def: "Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives." [] subset: 3_STAR synonym: "isoprenoid" EXACT [ChEBI] synonym: "isoprenoids" EXACT IUPAC_NAME [IUPAC] synonym: "isoprenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR01 {source="LIPID MAPS"} xref: PMID:12769708 {source="Europe PMC"} xref: PMID:19219049 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24921 name: isoquinoline alkaloid namespace: chebi_ontology def: "Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine." [] subset: 3_STAR synonym: "isoquinoline alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid [Term] id: CHEBI:24928 name: isothiocyanic acid namespace: chebi_ontology subset: 3_STAR synonym: "[C(NH)S]" RELATED [IUPAC] synonym: "azanediidosulfidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "HNCS" RELATED [IUPAC] synonym: "imidosulfidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "isothiocyanic acid" EXACT [IUPAC] synonym: "Isothiocyansaeure" RELATED [ChEBI] synonym: "Isothiozyansaeure" RELATED [ChEBI] xref: Beilstein:1900391 {source="Beilstein"} xref: CAS:3129-90-6 {source="ChemIDplus"} xref: Gmelin:130289 {source="Gmelin"} is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:18022 ! thiocyanate relationship: is_tautomer_of CHEBI:29200 ! thiocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNS/c2-1-3/h2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRHBQAYDJPGGLF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.09138" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.98297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=C=S" xsd:string [Term] id: CHEBI:24937 name: jasmonates namespace: chebi_ontology def: "The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development." [] subset: 3_STAR xref: Wikipedia:Jasmonate is_a: CHEBI:37848 ! plant hormone [Term] id: CHEBI:24941 name: juvenile hormone antagonists namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24851 ! insect growth regulator [Term] id: CHEBI:24942 name: juvenile hormone mimic namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24851 ! insect growth regulator [Term] id: CHEBI:24960 name: ketoaldehyde namespace: chebi_ontology alt_id: CHEBI:6124 def: "Any compound that has an aldehydic and ketonic group in the same molecule." [] subset: 3_STAR synonym: "ketoaldehydes" RELATED [ChEBI] xref: KEGG:C01928 is_a: CHEBI:17087 ! ketone is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:24961 name: ketoaldonate namespace: chebi_ontology subset: 3_STAR synonym: "ketoaldonate" EXACT [ChEBI] synonym: "ketoaldonates" RELATED [ChEBI] is_a: CHEBI:33721 ! carbohydrate acid anion [Term] id: CHEBI:24963 name: ketoaldonic acid namespace: chebi_ontology def: "Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group." [] subset: 3_STAR synonym: "ketoaldonic acid" EXACT [ChEBI] synonym: "ketoaldonic acids" RELATED [ChEBI] is_a: CHEBI:33720 ! carbohydrate acid is_a: CHEBI:35381 ! monosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24973 name: ketohexose namespace: chebi_ontology def: "Any hexose containing a single ketone group." [] subset: 3_STAR synonym: "ketohexose" EXACT [ChEBI] synonym: "ketohexoses" RELATED [ChEBI] is_a: CHEBI:18133 ! hexose is_a: CHEBI:24978 ! ketose property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24978 name: ketose namespace: chebi_ontology alt_id: CHEBI:6131 def: "Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals." [] subset: 3_STAR synonym: "ketose" EXACT [ChEBI] synonym: "ketoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:24995 name: lactam namespace: chebi_ontology def: "Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring." [] subset: 3_STAR synonym: "lactam" EXACT [IUPAC] synonym: "lactams" EXACT IUPAC_NAME [IUPAC] synonym: "lactams" RELATED [ChEBI] synonym: "Laktam" RELATED [ChEBI] synonym: "Laktame" RELATED [ChEBI] is_a: CHEBI:23443 ! cyclic amide is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:24996 name: lactate namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-hydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxypropanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "2-hydroxypropionate" RELATED [ChemIDplus] synonym: "b-lactate" RELATED [ChEBI] synonym: "beta-lactate" RELATED [ChEBI] synonym: "lactate" EXACT [UniProt] synonym: "MeCH(OH)CO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3587719 {source="Beilstein"} xref: CAS:113-21-3 {source="ChemIDplus"} xref: CAS:113-21-3 {source="NIST Chemistry WebBook"} xref: Gmelin:240074 {source="Gmelin"} xref: KEGG:C01432 xref: MetaCyc:Lactate is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:17272 ! propionate relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28358 ! rac-lactic acid relationship: is_conjugate_base_of CHEBI:78320 ! 2-hydroxypropanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)C([O-])=O" xsd:string [Term] id: CHEBI:25000 name: lactone namespace: chebi_ontology def: "Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring." [] subset: 3_STAR synonym: "Lacton" RELATED [ChEBI] synonym: "lactona" RELATED [IUPAC] synonym: "lactonas" RELATED [IUPAC] synonym: "lactone" EXACT IUPAC_NAME [IUPAC] synonym: "lactones" EXACT IUPAC_NAME [IUPAC] synonym: "Lakton" RELATED [ChEBI] synonym: "Laktone" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:38104 ! oxacycle property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25016 name: lead atom namespace: chebi_ontology subset: 3_STAR synonym: "82Pb" RELATED [IUPAC] synonym: "Blei" RELATED [ChEBI] synonym: "lead" EXACT IUPAC_NAME [IUPAC] synonym: "lead" RELATED [ChEBI] synonym: "Pb" RELATED [IUPAC] synonym: "plomb" RELATED [ChEBI] synonym: "plomo" RELATED [ChEBI] synonym: "plumbum" RELATED [IUPAC] xref: KEGG:C06696 xref: WebElements:Pb is_a: CHEBI:33306 ! carbon group element atom is_a: CHEBI:33521 ! metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WABPQHHGFIMREM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "207.20000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.97665" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pb]" xsd:string [Term] id: CHEBI:25017 name: leucine namespace: chebi_ontology def: "A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group." [] subset: 3_STAR synonym: "(+-)-Leucine" RELATED [ChemIDplus] synonym: "(RS)-Leucine" RELATED [ChemIDplus] synonym: "2-amino-4-methylpentanoic acid" RELATED [IUPAC] synonym: "DL-Leucine" RELATED [ChemIDplus] synonym: "Hleu" RELATED [IUPAC] synonym: "L" RELATED [ChEBI] synonym: "Leu" RELATED [ChEBI] synonym: "Leucin" RELATED [ChEBI] synonym: "leucine" EXACT IUPAC_NAME [IUPAC] synonym: "Leuzin" RELATED [ChEBI] xref: Beilstein:636005 {source="Beilstein"} xref: CAS:328-39-2 {source="ChemIDplus"} xref: CAS:328-39-2 {source="NIST Chemistry WebBook"} xref: Gmelin:50203 {source="Gmelin"} xref: KEGG:C16439 xref: LIPID_MAPS_instance:LMFA01100048 {source="LIPID MAPS"} xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:636005 {source="Reaxys"} xref: Wikipedia:Leucine is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:30356 ! isobutyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32627 ! leucinate relationship: is_conjugate_base_of CHEBI:32628 ! leucinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.17296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(N)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25022 name: leucomycin namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25106 ! macrolide relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:25036 name: lignan namespace: chebi_ontology alt_id: CHEBI:25035 def: "Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an \"e\"." [] subset: 3_STAR synonym: "lignan" EXACT [ChEBI] synonym: "lignans" RELATED [ChEBI] is_a: CHEBI:26004 ! phenylpropanoid [Term] id: CHEBI:25094 name: lysine namespace: chebi_ontology def: "A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6." [] subset: 3_STAR synonym: "2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,epsilon-diaminocaproic acid" RELATED [ChEBI] synonym: "K" RELATED [ChEBI] synonym: "LYS" RELATED [ChEBI] synonym: "Lysin" RELATED [ChEBI] synonym: "lysine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1616991 {source="Beilstein"} xref: CAS:70-54-2 {source="NIST Chemistry WebBook"} xref: CAS:70-54-2 {source="ChemIDplus"} xref: Gmelin:279284 {source="Gmelin"} xref: KEGG:C16440 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1616991 {source="Reaxys"} xref: Wikipedia:Lysine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:35987 ! diamino acid relationship: has_functional_parent CHEBI:30776 ! hexanoic acid relationship: has_part CHEBI:50339 ! 4-aminobutyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32563 ! lysinate relationship: is_conjugate_base_of CHEBI:32564 ! lysinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.18764" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:25105 name: macrolide antibiotic namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity." [] subset: 3_STAR synonym: "macrolide antibiotics" RELATED [ChEBI] synonym: "Makrolidantibiotika" RELATED [ChEBI] is_a: CHEBI:25106 ! macrolide relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:25106 name: macrolide namespace: chebi_ontology def: "A macrocyclic lactone with a ring of twelve or more members derived from a polyketide." [] subset: 3_STAR synonym: "macrolide" EXACT [ChEBI] synonym: "macrolides" EXACT IUPAC_NAME [IUPAC] synonym: "macrolides" RELATED [ChEBI] synonym: "Makrolid" RELATED [ChEBI] xref: Wikipedia:Macrolide is_a: CHEBI:26188 ! polyketide is_a: CHEBI:63944 ! macrocyclic lactone [Term] id: CHEBI:25107 name: magnesium atom namespace: chebi_ontology subset: 3_STAR synonym: "12Mg" RELATED [IUPAC] synonym: "magnesio" RELATED [ChEBI] synonym: "Magnesium" RELATED [ChEBI] synonym: "magnesium" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium" RELATED [ChEBI] synonym: "Mg" RELATED [IUPAC] synonym: "Mg" RELATED [UniProt] xref: CAS:7439-95-4 {source="ChemIDplus"} xref: DrugBank:DB01378 xref: Gmelin:16207 {source="Gmelin"} xref: KEGG:C00305 xref: WebElements:Mg is_a: CHEBI:22313 ! alkaline earth metal atom relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYYHWMGAXLPEAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "24.30500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "23.98504" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25108 name: magnesium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "magnesium compounds" RELATED [ChEBI] synonym: "magnesium molecular entities" RELATED [ChEBI] synonym: "magnesium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:25107 ! magnesium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25154 name: manganese molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese compounds" RELATED [ChEBI] synonym: "manganese molecular entities" RELATED [ChEBI] synonym: "manganese molecular entity" EXACT [ChEBI] is_a: CHEBI:33743 ! manganese group molecular entity relationship: has_part CHEBI:18291 ! manganese atom [Term] id: CHEBI:25155 name: manganese cation namespace: chebi_ontology subset: 3_STAR synonym: "manganese cation" EXACT IUPAC_NAME [IUPAC] synonym: "manganese cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:35115 ! elemental manganese property_value: http://purl.obolibrary.org/obo/chebi/formula "Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93805" xsd:string [Term] id: CHEBI:25189 name: 1,4-dimercaptobutane-2,3-diol namespace: chebi_ontology def: "A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group." [] subset: 3_STAR synonym: "1,4-dimercapto-2,3-butanediol" RELATED [ChemIDplus] synonym: "1,4-dimercaptobutane-2,3-diol" EXACT [ChemIDplus] synonym: "1,4-disulfanylbutane-2,3-diol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8141671 {source="Beilstein"} xref: CAS:7634-42-6 {source="ChemIDplus"} is_a: CHEBI:13643 ! glycol is_a: CHEBI:22944 ! butanediols is_a: CHEBI:29256 ! thiol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHJLVAABSRFDPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.25300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.01222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(CS)C(O)CS" xsd:string [Term] id: CHEBI:25195 name: mercury atom namespace: chebi_ontology subset: 3_STAR synonym: "80Hg" RELATED [IUPAC] synonym: "azogue" RELATED [ChEBI] synonym: "Hg" RELATED [IUPAC] synonym: "hydrargyrum" RELATED [IUPAC] synonym: "liquid silver" RELATED [ChemIDplus] synonym: "mercure" RELATED [ChemIDplus] synonym: "mercurio" RELATED [ChEBI] synonym: "mercury" EXACT IUPAC_NAME [IUPAC] synonym: "mercury" RELATED [ChEBI] synonym: "Quecksilber" RELATED [ChemIDplus] synonym: "quicksilver" RELATED [ChemIDplus] xref: CAS:7439-97-6 {source="ChemIDplus"} xref: WebElements:Hg is_a: CHEBI:33340 ! zinc group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Hg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Hg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSHDDOUJBYECFT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.59000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.97064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Hg]" xsd:string [Term] id: CHEBI:25196 name: mercury molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "mercury compounds" RELATED [ChEBI] synonym: "mercury molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:25195 ! mercury atom [Term] id: CHEBI:25197 name: mercury cation namespace: chebi_ontology subset: 3_STAR synonym: "mercury cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:35113 ! elemental mercury [Term] id: CHEBI:25212 name: metabolite namespace: chebi_ontology alt_id: CHEBI:26619 alt_id: CHEBI:35220 def: "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." [] subset: 3_STAR synonym: "metabolite" EXACT IUPAC_NAME [IUPAC] synonym: "metabolites" RELATED [ChEBI] synonym: "primary metabolites" RELATED [ChEBI] synonym: "secondary metabolites" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:25213 name: metal cation namespace: chebi_ontology subset: 3_STAR synonym: "a metal cation" RELATED [UniProt] synonym: "metal cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:25218 name: methacrylate namespace: chebi_ontology def: "A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of methacrylic acid." [] subset: 3_STAR synonym: "2-methyl-2-propenoate" RELATED [ChemIDplus] synonym: "2-methyl-2-propenoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "2-methylprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "methacrylate" EXACT [UM-BBD] synonym: "methacrylate anion" RELATED [ChEBI] synonym: "methacrylate(1-)" RELATED [ChEBI] xref: Beilstein:3587577 {source="Beilstein"} xref: CAS:18358-13-9 {source="ChemIDplus"} xref: Gmelin:324367 {source="Gmelin"} xref: Reaxys:3587577 {source="Reaxys"} xref: UM-BBD_compID:c0520 {source="UM-BBD"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:37080 ! acrylate relationship: is_conjugate_base_of CHEBI:25219 ! methacrylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CERQOIWHTDAKMF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.08130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)C([O-])=O" xsd:string [Term] id: CHEBI:25219 name: methacrylic acid namespace: chebi_ontology def: "An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group." [] subset: 3_STAR synonym: "2-methyl-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylacrylic acid" RELATED [ChemIDplus] synonym: "2-methylenepropionic acid" RELATED [ChemIDplus] synonym: "2-methylprop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "2-Methylpropensaeure" RELATED [ChEBI] synonym: "alpha-methacrylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-methylacrylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "methacrylic acid" EXACT [ChemIDplus] synonym: "Methacrylsaeure" RELATED [ChEBI] synonym: "Methakrylsaeure" RELATED [ChEBI] synonym: "methylacrylic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1719937 {source="ChemIDplus"} xref: CAS:79-41-4 {source="NIST Chemistry WebBook"} xref: CAS:79-41-4 {source="ChemIDplus"} xref: Gmelin:49631 {source="Gmelin"} xref: PMID:24227222 {source="Europe PMC"} xref: PMID:24398912 {source="Europe PMC"} xref: Reaxys:1719937 {source="Reaxys"} xref: Wikipedia:Methacrylic_acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_functional_parent CHEBI:18308 ! acrylic acid relationship: is_conjugate_acid_of CHEBI:25218 ! methacrylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CERQOIWHTDAKMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)C(O)=O" xsd:string [Term] id: CHEBI:25222 name: methanediols namespace: chebi_ontology def: "A diol that is methane in which two of the hydrogens have been replaced by hydroxy groups respectively." [] subset: 3_STAR is_a: CHEBI:23824 ! diol [Term] id: CHEBI:25223 name: methanesulfonate ester namespace: chebi_ontology def: "An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol." [] subset: 3_STAR synonym: "mesylate ester" RELATED [ChEBI] synonym: "mesylate esters" RELATED [ChEBI] synonym: "methanesulfonic acid esters" RELATED [ChEBI] is_a: CHEBI:48544 ! methanesulfonates is_a: CHEBI:83347 ! organosulfonic ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.099" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.98029" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(O*)(=O)=O" xsd:string [Term] id: CHEBI:25224 name: methanesulfonate namespace: chebi_ontology def: "A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid." [] subset: 3_STAR synonym: "methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "methanesulfonate" EXACT [UniProt] synonym: "methylsulfonate" RELATED [UM-BBD] xref: MetaCyc:CPD-3746 xref: UM-BBD_compID:c0347 {source="UM-BBD"} is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate relationship: is_conjugate_base_of CHEBI:27376 ! methanesulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFVFQIVMOAPDHO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.09872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.98084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS([O-])(=O)=O" xsd:string [Term] id: CHEBI:25235 name: monomethoxybenzene namespace: chebi_ontology def: "Compounds containing a benzene skeleton substituted with one methoxy group." [] subset: 3_STAR synonym: "monomethoxybenzenes" RELATED [ChEBI] is_a: CHEBI:51683 ! methoxybenzenes [Term] id: CHEBI:25236 name: methoxybenzoate namespace: chebi_ontology subset: 3_STAR synonym: "methoxybenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates [Term] id: CHEBI:25238 name: methoxybenzoic acid namespace: chebi_ontology def: "Any benzoic acid carrying one or more methoxy substituents." [] subset: 3_STAR synonym: "methoxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:51683 ! methoxybenzenes [Term] id: CHEBI:25248 name: methyl ester namespace: chebi_ontology def: "Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol." [] subset: 3_STAR synonym: "carboxylic acid methyl ester" RELATED [ChEBI] synonym: "carboxylic acid methyl esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:17790 ! methanol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25253 name: methyl halides namespace: chebi_ontology def: "A haloalkane that is methane in which one of the hydrogens is substituted by a halide atom." [] subset: 3_STAR xref: PMID:19378995 {source="Europe PMC"} is_a: CHEBI:39279 ! halomethane [Term] id: CHEBI:25255 name: methyl methanesulfonate namespace: chebi_ontology def: "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol." [] subset: 3_STAR synonym: "as-Dimethyl sulfite" RELATED [ChemIDplus] synonym: "CB1540" RELATED [ChEBI] synonym: "Methanesulfonic acid methyl ester" RELATED [ChemIDplus] synonym: "Methyl mesylate" RELATED [ChemIDplus] synonym: "methyl methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "MMS" RELATED [KEGG_COMPOUND] synonym: "MMS" RELATED [ChemIDplus] xref: CAS:66-27-3 {source="ChemIDplus"} xref: CAS:66-27-3 {source="KEGG COMPOUND"} xref: KEGG:C19181 xref: MetaCyc:CPD-7038 xref: PMID:11016630 {source="Europe PMC"} xref: PMID:14761437 {source="Europe PMC"} xref: PMID:16764919 {source="Europe PMC"} xref: PMID:21353429 {source="Europe PMC"} xref: PMID:21860482 {source="Europe PMC"} xref: PMID:22907509 {source="Europe PMC"} xref: PMID:23117069 {source="Europe PMC"} xref: PMID:23384783 {source="Europe PMC"} xref: PMID:23483329 {source="Europe PMC"} xref: Reaxys:1098586 {source="Reaxys"} xref: Wikipedia:Methyl_methanesulfonate is_a: CHEBI:25223 ! methanesulfonate ester relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:68495 ! apoptosis inducer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MBABOKRGFJTBAE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.13200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.00377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COS(C)(=O)=O" xsd:string [Term] id: CHEBI:25274 name: methylamines namespace: chebi_ontology subset: 3_STAR synonym: "methylated amines" RELATED [ChEBI] is_a: CHEBI:22331 ! alkylamines [Term] id: CHEBI:25275 name: methylaniline namespace: chebi_ontology def: "A substituted aniline carrying one or more methyl groups at unspecified positions." [] subset: 3_STAR synonym: "methylanilines" RELATED [ChEBI] is_a: CHEBI:48975 ! substituted aniline [Term] id: CHEBI:25280 name: methylbenzoic acid namespace: chebi_ontology subset: 3_STAR synonym: "methylbenzoic acids" RELATED [ChEBI] is_a: CHEBI:22723 ! benzoic acids [Term] id: CHEBI:25322 name: methylmercury compound namespace: chebi_ontology def: "An alkylmercury compound in which the alkyl group specified is methyl." [] subset: 3_STAR synonym: "methylmercury compounds" RELATED [ChEBI] is_a: CDNO:0000012 ! trace element is_a: CHEBI:33255 ! alkylmercury compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:2533 name: alachlor namespace: chebi_ontology def: "An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom." [] subset: 3_STAR synonym: "2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide" RELATED [ChemIDplus] synonym: "2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "Alachlor" EXACT [KEGG_COMPOUND] synonym: "alachlor" EXACT [UniProt] synonym: "Alachlore" RELATED [ChemIDplus] synonym: "Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid" RELATED [ChemIDplus] xref: Beilstein:2944476 {source="Beilstein"} xref: CAS:15972-60-8 {source="ChemIDplus"} xref: CAS:15972-60-8 {source="NIST Chemistry WebBook"} xref: CAS:15972-60-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031766 xref: KEGG:C10928 xref: LINCS:LSM-19972 xref: Pesticides:alachlor {source="Alan Wood's Pesticides"} xref: PMID:11807927 {source="Europe PMC"} xref: PMID:23599414 {source="Europe PMC"} xref: PPDB:17 xref: Reaxys:2944476 {source="Reaxys"} is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide relationship: has_functional_parent CHEBI:28884 ! N-phenylacetamide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H20ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XCSGPAVHZFQHGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "269.76700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "269.11826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1cccc(CC)c1N(COC)C(=O)CCl" xsd:string [Term] id: CHEBI:25340 name: methylpyridines namespace: chebi_ontology def: "Any member of the class of pyridines that carries at least one methyl substituent." [] subset: 3_STAR is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:25345 name: methyltetrahydrofolate namespace: chebi_ontology def: "A group of heterocyclic compounds based on the N-methylated 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units." [] subset: 3_STAR synonym: "methyltetrahydrofolates" RELATED [ChEBI] is_a: CHEBI:67016 ! tetrahydrofolate [Term] id: CHEBI:25348 name: methylxanthine namespace: chebi_ontology subset: 3_STAR synonym: "methylxanthines" RELATED [ChEBI] is_a: CHEBI:26385 ! purine alkaloid relationship: has_functional_parent CHEBI:15318 ! xanthine property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25354 name: mineralocorticoid namespace: chebi_ontology def: "Mineralocorticoids are a class of steroid hormones that regulate water and electrolyte metabolism." [] subset: 3_STAR synonym: "mineralocorticoids" RELATED [ChEBI] is_a: CHEBI:36699 ! corticosteroid hormone [Term] id: CHEBI:25355 name: mitochondrial respiratory-chain inhibitor namespace: chebi_ontology subset: 3_STAR synonym: "mitochondrial electron transport chain inhibitors" RELATED [ChEBI] synonym: "mitochondrial electron-transport chain inhibitor" RELATED [ChEBI] synonym: "mitochondrial respiratory chain inhibitors" RELATED [ChEBI] is_a: CHEBI:38497 ! respiratory-chain inhibitor [Term] id: CHEBI:25362 name: elemental molecule namespace: chebi_ontology def: "A molecule all atoms of which have the same atomic number." [] subset: 3_STAR synonym: "homoatomic molecule" RELATED [ChEBI] synonym: "homoatomic molecules" RELATED [ChEBI] is_a: CHEBI:25367 ! molecule is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:25367 name: molecule namespace: chebi_ontology def: "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom." [] subset: 3_STAR synonym: "molecula" RELATED [IUPAC] synonym: "molecule" EXACT [IUPAC] synonym: "molecules" RELATED [IUPAC] synonym: "Molekuel" RELATED [ChEBI] synonym: "neutral molecular compounds" RELATED [IUPAC] is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25370 name: molybdenum molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum compounds" RELATED [ChEBI] synonym: "molybdenum molecular entities" RELATED [ChEBI] is_a: CHEBI:33741 ! chromium group molecular entity relationship: has_part CHEBI:28685 ! molybdenum atom [Term] id: CHEBI:25375 name: monoamine molecular messenger namespace: chebi_ontology def: "A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan." [] subset: 3_STAR synonym: "monamines" RELATED [ChEBI] synonym: "monoamines" RELATED [ChEBI] is_a: CHEBI:63534 ! monoamine relationship: has_role CHEBI:33280 ! molecular messenger [Term] id: CHEBI:25381 name: monoalkyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "monoalkyl phosphates" RELATED [ChEBI] is_a: CHEBI:22324 ! alkyl phosphate [Term] id: CHEBI:25384 name: monocarboxylic acid namespace: chebi_ontology def: "An oxoacid containing a single carboxy group." [] subset: 3_STAR synonym: "monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35757 ! monocarboxylic acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25388 name: monohydroxybenzoate namespace: chebi_ontology def: "A hydroxybenzoate carrying a single hydroxy substituent at unspecified position." [] subset: 3_STAR synonym: "monohydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:24675 ! hydroxybenzoate relationship: is_conjugate_base_of CHEBI:25389 ! monohydroxybenzoic acid [Term] id: CHEBI:25389 name: monohydroxybenzoic acid namespace: chebi_ontology def: "Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring." [] subset: 3_STAR synonym: "monohydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:24676 ! hydroxybenzoic acid relationship: is_conjugate_acid_of CHEBI:25388 ! monohydroxybenzoate [Term] id: CHEBI:25392 name: naphthols namespace: chebi_ontology def: "Any hydroxynaphthalene derivative that has a single hydroxy substituent." [] subset: 3_STAR is_a: CHEBI:24727 ! hydroxynaphthalene [Term] id: CHEBI:25399 name: cresol namespace: chebi_ontology def: "A hydroxytoluene that consists of toluene carrying a single hydroxy substituent at any position. A 'closed class'." [] subset: 3_STAR synonym: "acide cresylique" RELATED [ChEBI] synonym: "cresol" EXACT [ChEBI] synonym: "cresols" RELATED [ChemIDplus] synonym: "cresylic acid" RELATED [ChemIDplus] synonym: "hydroxymethylbenzene" RELATED [ChemIDplus] synonym: "hydroxytoluene" RELATED [ChEBI] synonym: "Hydroxytoluole" RELATED [ChemIDplus] synonym: "Kresol" RELATED [ChEBI] synonym: "Kresole" RELATED [ChemIDplus] synonym: "methylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "mixed cresols" RELATED [ChemIDplus] xref: CAS:1319-77-3 {source="ChemIDplus"} xref: Pesticides:cresol {source="Alan Wood's Pesticides"} xref: Wikipedia:Cresol is_a: CHEBI:24751 ! hydroxytoluene is_a: CHEBI:87034 ! aromatic fungicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.138" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.05751" xsd:string [Term] id: CHEBI:25408 name: monoterpene ketone namespace: chebi_ontology def: "A terpene ketone derived from a monoterpene." [] subset: 3_STAR synonym: "monoterpene ketones" RELATED [ChEBI] is_a: CHEBI:26872 ! terpene ketone [Term] id: CHEBI:25409 name: monoterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "monoterpenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR0102 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35187 ! monoterpene [Term] id: CHEBI:25413 name: monounsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment." [] subset: 3_STAR synonym: "monounsaturated fatty acids" RELATED [ChEBI] synonym: "MUFA" RELATED [ChEBI] synonym: "MUFAs" RELATED [ChEBI] xref: PMID:10584045 {source="Europe PMC"} xref: PMID:12936956 {source="Europe PMC"} is_a: CHEBI:27208 ! unsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:82680 ! monounsaturated fatty acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25414 name: monoatomic monocation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic monocations" RELATED [ChEBI] synonym: "monovalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*+]" xsd:string [Term] id: CHEBI:25418 name: morphinane alkaloid namespace: chebi_ontology def: "An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "morphinane alkaloids" RELATED [ChEBI] is_a: CHEBI:24921 ! isoquinoline alkaloid [Term] id: CHEBI:25430 name: monoatomic polycation namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic polycations" RELATED [ChEBI] synonym: "multivalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation [Term] id: CHEBI:25434 name: bis(2-chloroethyl) sulfide namespace: chebi_ontology def: "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention." [] subset: 3_STAR synonym: "1,1'-thiobis(2-chloroethane)" RELATED [NIST_Chemistry_WebBook] synonym: "1-chloro-2-[(2-chloroethyl)sulfanyl]ethane" EXACT IUPAC_NAME [IUPAC] synonym: "1-chloro-2-[(2-chloroethyl)thio]ethane" RELATED [IUPAC] synonym: "bis(2-chloroethyl) sulfide" EXACT [ChemIDplus] synonym: "bis(2-chloroethyl) sulphide" RELATED [NIST_Chemistry_WebBook] synonym: "bis(2-chloroethyl)sulfane" RELATED [IUPAC] synonym: "Iprit" RELATED [KEGG_COMPOUND] synonym: "Lost" RELATED [NIST_Chemistry_WebBook] synonym: "Mustard gas" RELATED [KEGG_COMPOUND] synonym: "mustard gas" RELATED [ChemIDplus] synonym: "Senfgas" RELATED [NIST_Chemistry_WebBook] synonym: "sulfur mustard" RELATED [ChemIDplus] synonym: "Yperite" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1733595 {source="ChemIDplus"} xref: CAS:505-60-2 {source="ChemIDplus"} xref: CAS:505-60-2 {source="KEGG COMPOUND"} xref: CAS:505-60-2 {source="NIST Chemistry WebBook"} xref: Gmelin:324535 {source="Gmelin"} xref: KEGG:C19164 xref: PMID:15908294 {source="Europe PMC"} xref: PMID:19559099 {source="Europe PMC"} xref: PMID:23091586 {source="Europe PMC"} xref: PMID:24467472 {source="Europe PMC"} xref: PMID:24641121 {source="Europe PMC"} xref: PMID:24791566 {source="Europe PMC"} xref: PMID:24801489 {source="Europe PMC"} xref: Wikipedia:Sulfur_mustard is_a: CHEBI:23996 ! ethyl sulfide is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78592 ! vesicant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8Cl2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QKSKPIVNLNLAAV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "159.07772" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.97238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCSCCCl" xsd:string [Term] id: CHEBI:25435 name: mutagen namespace: chebi_ontology def: "An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution." [] subset: 3_STAR synonym: "mutagene" RELATED [ChEBI] synonym: "mutagenes" RELATED [ChEBI] synonym: "mutagenic agent" RELATED [ChEBI] synonym: "mutageno" RELATED [ChEBI] synonym: "mutagenos" RELATED [ChEBI] synonym: "mutagens" RELATED [ChEBI] xref: Wikipedia:Mutagen is_a: CHEBI:50902 ! genotoxin [Term] id: CHEBI:25442 name: mycotoxin namespace: chebi_ontology def: "Poisonous substance produced by fungi." [] subset: 3_STAR synonym: "fungal toxins" RELATED [ChEBI] synonym: "mycotoxins" RELATED [ChEBI] is_a: CHEBI:27026 ! toxin is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:254496 name: 7,12-dimethyltetraphene namespace: chebi_ontology alt_id: CHEBI:59032 def: "A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke." [] subset: 3_STAR synonym: "1,4-Dimethyl-2,3-benzphenanthrene" RELATED [NIST_Chemistry_WebBook] synonym: "6,7-Dimethyl-1,2-benzanthracene" RELATED [ChemIDplus] synonym: "7,12-Dimethyl-1,2-benzanthracene" RELATED [ChemIDplus] synonym: "7,12-Dimethyl-1:2-benz(a)anthracene" RELATED [ChemIDplus] synonym: "7,12-Dimethylbenz(a)anthracene" RELATED [ChemIDplus] synonym: "7,12-Dimethylbenzanthracene" RELATED [ChemIDplus] synonym: "7,12-Dimethylbenzanthrancene" RELATED [ChemIDplus] synonym: "7,12-dimethylbenzo[a]anthracene" EXACT IUPAC_NAME [IUPAC] synonym: "7,12-dimethylbenzo[a]anthracene" RELATED [ChEBI] synonym: "7,12-DMBA" RELATED [NIST_Chemistry_WebBook] synonym: "9,10-Dimethyl-1,2-benzanthracene" RELATED [ChemIDplus] synonym: "9,10-Dimethyl-1,2-benzanthrazen" RELATED [ChemIDplus] synonym: "9,10-Dimethylbenz(a)anthracene" RELATED [NIST_Chemistry_WebBook] synonym: "DMBA" RELATED [ChEBI] synonym: "DMBA" RELATED [KEGG_COMPOUND] xref: Beilstein:1912135 {source="Beilstein"} xref: CAS:57-97-6 {source="ChemIDplus"} xref: CAS:57-97-6 {source="NIST Chemistry WebBook"} xref: CAS:57-97-6 {source="KEGG COMPOUND"} xref: Gmelin:263937 {source="Gmelin"} xref: KEGG:C19488 xref: LINCS:LSM-37159 xref: PMID:11488430 {source="Europe PMC"} xref: PMID:12839762 {source="Europe PMC"} xref: PMID:16020197 {source="Europe PMC"} xref: PMID:18992763 {source="Europe PMC"} xref: PMID:7561049 {source="Europe PMC"} is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:51067 ! tetraphenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARSRBNBHOADGJU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.34100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c2ccccc2c(C)c2c1ccc1ccccc21" xsd:string [Term] id: CHEBI:25477 name: naphthalenes namespace: chebi_ontology def: "Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:36785 ! carbobicyclic compound [Term] id: CHEBI:25481 name: naphthoquinone namespace: chebi_ontology def: "A polycyclic aromatic ketone metabolite of naphthalene." [] subset: 3_STAR synonym: "naphthoquinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone is_a: CHEBI:72544 ! flavonoids property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:2549 name: albuterol namespace: chebi_ontology def: "A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD)." [] subset: 3_STAR synonym: "4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "Albuterol" EXACT [KEGG_DRUG] synonym: "Proventil" RELATED [KEGG_DRUG] synonym: "Salbutamol" RELATED [ChemIDplus] xref: CAS:18559-94-9 {source="KEGG DRUG"} xref: CAS:18559-94-9 {source="ChemIDplus"} xref: Drug_Central:105 {source="DrugCentral"} xref: DrugBank:DB01001 xref: HMDB:HMDB0001937 xref: KEGG:D02147 xref: LINCS:LSM-5178 xref: PMID:8267204 {source="Europe PMC"} xref: PMID:9847435 {source="Europe PMC"} xref: Reaxys:2213614 {source="Reaxys"} xref: Wikipedia:Albuterol is_a: CHEBI:25990 ! phenylethanolamines is_a: CHEBI:33853 ! phenols is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35523 ! bronchodilator agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NDAUXUAQIAJITI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.31070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1" xsd:string [Term] id: CHEBI:25491 name: nematicide namespace: chebi_ontology def: "A substance used to destroy pests of the phylum Nematoda (roundworms)." [] subset: 3_STAR synonym: "nematicides" RELATED [ChEBI] synonym: "nematocide" RELATED [ChEBI] synonym: "nematocides" RELATED [ChEBI] xref: Wikipedia:Nematicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:25495 name: neohesperidoside namespace: chebi_ontology def: "A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit." [] subset: 3_STAR synonym: "neohesperidoside" EXACT [ChEBI] synonym: "neohesperidosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside is_a: CHEBI:63353 ! disaccharide derivative relationship: has_functional_parent CHEBI:73992 ! alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose [Term] id: CHEBI:25512 name: neurotransmitter namespace: chebi_ontology def: "An endogenous compound that is used to transmit information across the synapse between a neuron and another cell." [] subset: 3_STAR synonym: "neurotransmitters" RELATED [ChEBI] xref: Wikipedia:Neurotransmitter is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:25516 name: nickel cation namespace: chebi_ontology subset: 3_STAR synonym: "Ni cation" RELATED [UniProt] synonym: "nickel cation" EXACT IUPAC_NAME [IUPAC] synonym: "nickel cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:60248 ! nickel ion relationship: has_role CHEBI:23357 ! cofactor property_value: http://purl.obolibrary.org/obo/chebi/formula "Ni" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.93534" xsd:string [Term] id: CHEBI:25529 name: pyridinecarboxamide namespace: chebi_ontology def: "A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group." [] subset: 3_STAR synonym: "pyridinecarboxamides" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:25540 name: neonicotinoid insectide namespace: chebi_ontology alt_id: CHEBI:25498 def: "A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor." [] subset: 3_STAR synonym: "neonicotinoid insectides" RELATED [ChEBI] synonym: "nicotinoid insectide" RELATED [ChEBI] synonym: "nicotinoid insectides" RELATED [ChEBI] xref: Wikipedia:Neonicotinoid is_a: CHEBI:24852 ! insecticide is_a: CHEBI:47958 ! nicotinic acetylcholine receptor agonist is_a: CHEBI:50910 ! neurotoxin [Term] id: CHEBI:25543 name: nitramine namespace: chebi_ontology def: "Amines substituted at N with a nitro group (a contracted form of N-nitroamines); they are thus amides of nitric acid, and the class is composed of nitramide, O2NNH2, and its derivatives formed by substitution." [] subset: 3_STAR synonym: "N-nitroamines" RELATED [IUPAC] synonym: "nitramines" EXACT IUPAC_NAME [IUPAC] synonym: "nitramines" RELATED [ChEBI] is_a: CHEBI:38780 ! N-nitro compound [Term] id: CHEBI:25548 name: nitrilotriacetate(3-) namespace: chebi_ontology def: "A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of nitrilotriacetic acid." [] subset: 3_STAR synonym: "2,2',2''-nitrilotriacetate" EXACT IUPAC_NAME [IUPAC] synonym: "nitrilotriacetate" RELATED [UM-BBD] synonym: "nitrilotriacetate" RELATED [UniProt] synonym: "nitrilotriacetic acid ion(3-)" RELATED [ChemIDplus] synonym: "nta(3-)" RELATED [IUPAC] xref: Beilstein:3550639 {source="Beilstein"} xref: CAS:28528-44-1 {source="ChemIDplus"} xref: Gmelin:50722 {source="Gmelin"} xref: UM-BBD_compID:c0557 {source="UM-BBD"} is_a: CHEBI:27092 ! tricarboxylic acid trianion is_a: CHEBI:39054 ! NTA relationship: is_conjugate_base_of CHEBI:39056 ! nitrilotriacetate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGFYIUFZLHCRTH-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "188.11498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "188.02116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CN(CC([O-])=O)CC([O-])=O" xsd:string [Term] id: CHEBI:25549 name: nitrites is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:2555 name: aldicarb namespace: chebi_ontology def: "The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active." [] subset: 3_STAR synonym: "2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime" RELATED [ChemIDplus] synonym: "2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime" RELATED [ChemIDplus] synonym: "2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim" RELATED [ChemIDplus] synonym: "2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim" RELATED [COMe] synonym: "2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine" EXACT IUPAC_NAME [IUPAC] synonym: "Aldicarb" EXACT [KEGG_COMPOUND] synonym: "aldicarb" EXACT [UniProt] synonym: "aldicarbe" RELATED [ChemIDplus] xref: Beilstein:2046931 {source="Beilstein"} xref: CAS:116-06-3 {source="NIST Chemistry WebBook"} xref: CAS:116-06-3 {source="ChemIDplus"} xref: CAS:116-06-3 {source="KEGG COMPOUND"} xref: KEGG:C11015 xref: LINCS:LSM-20978 xref: Patent:US3217037 xref: PPDB:19 is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:59059 ! methyl isocyanate relationship: has_functional_parent CHEBI:60330 ! 2-methyl-2-(methylsulfanyl)propanal oxime relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGLZXHRNAYXIBU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "190.26300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "190.07760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=NOC(=O)NC)C(C)(C)SC" xsd:string [Term] id: CHEBI:25550 name: nitroaniline namespace: chebi_ontology def: "A substituted aniline that carries one or more nitro groups." [] subset: 3_STAR synonym: "nitroanilines" RELATED [ChEBI] is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:48975 ! substituted aniline [Term] id: CHEBI:25555 name: nitrogen atom namespace: chebi_ontology subset: 3_STAR synonym: "7N" RELATED [IUPAC] synonym: "azote" RELATED [IUPAC] synonym: "N" RELATED [IUPAC] synonym: "nitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen" RELATED [ChEBI] synonym: "nitrogeno" RELATED [ChEBI] synonym: "Stickstoff" RELATED [ChEBI] xref: WebElements:N is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string [Term] id: CHEBI:25558 name: organonitrogen heterocyclic antibiotic namespace: chebi_ontology subset: 3_STAR synonym: "organonitrogen heterocyclic antibiotics" RELATED [ChEBI] is_a: CHEBI:24531 ! heterocyclic antibiotic is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:25560 name: nitroglycerol namespace: chebi_ontology def: "A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups." [] subset: 3_STAR synonym: "nitroglycerols" RELATED [ChEBI] is_a: CHEBI:51080 ! nitrate ester relationship: has_functional_parent CHEBI:17754 ! glycerol [Term] id: CHEBI:25562 name: nitrophenol namespace: chebi_ontology def: "Any member of the class of phenols or substituted phenols carrying at least 1 nitro group." [] subset: 3_STAR synonym: "nitrophenols" RELATED [ChEBI] is_a: CHEBI:33853 ! phenols is_a: CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:25566 name: nitrotoluene namespace: chebi_ontology def: "Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring." [] subset: 3_STAR is_a: CHEBI:27024 ! toluenes is_a: CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:25567 name: nitrous acid namespace: chebi_ontology subset: 3_STAR synonym: "[NO(OH)]" RELATED [IUPAC] synonym: "dioxonitric acid" EXACT IUPAC_NAME [IUPAC] synonym: "HNO2" RELATED [IUPAC] synonym: "hydrogen dioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidooxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrosyl hydroxide" RELATED [NIST_Chemistry_WebBook] synonym: "nitrous acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7782-77-6 {source="ChemIDplus"} xref: CAS:7782-77-6 {source="NIST Chemistry WebBook"} xref: Gmelin:983 {source="Gmelin"} xref: KEGG:C00088 xref: PDBeChem:NO2 is_a: CHEBI:33455 ! nitrogen oxoacid relationship: is_conjugate_acid_of CHEBI:16301 ! nitrite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HNO2/c2-1-3/h(H,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IOVCWXUNBOPUCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.01348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.00073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]ON=O" xsd:string [Term] id: CHEBI:25585 name: nonmetal atom namespace: chebi_ontology subset: 3_STAR synonym: "Nichtmetall" RELATED [ChEBI] synonym: "Nichtmetalle" RELATED [ChEBI] synonym: "no metal" RELATED [ChEBI] synonym: "no metales" RELATED [ChEBI] synonym: "non-metal" RELATED [ChEBI] synonym: "non-metaux" RELATED [ChEBI] synonym: "nonmetal" EXACT IUPAC_NAME [IUPAC] synonym: "nonmetal" RELATED [ChEBI] synonym: "nonmetals" RELATED [ChEBI] is_a: CHEBI:33250 ! atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25605 name: nucleoside antibiotic namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:25608 name: nucleoside phosphate namespace: chebi_ontology def: "A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates." [] subset: 3_STAR synonym: "NMP" RELATED [KEGG_COMPOUND] synonym: "Nucleoside monophosphate" RELATED [KEGG_COMPOUND] synonym: "nucleoside phosphates" RELATED [ChEBI] xref: KEGG:C01329 is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester is_a: CHEBI:61120 ! nucleobase-containing molecular entity relationship: has_functional_parent CHEBI:33838 ! nucleoside [Term] id: CHEBI:25626 name: octadecadienoate namespace: chebi_ontology def: "A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "octadecadienoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:131860 ! octadecanoid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:25627 ! octadecadienoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.4393" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.23241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:25627 name: octadecadienoic acid namespace: chebi_ontology def: "Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds." [] subset: 3_STAR synonym: "18:2" RELATED [ChEBI] synonym: "C18:2" RELATED [ChEBI] synonym: "FA (18:2)" RELATED [ChEBI] synonym: "octadecadienoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:26764-25-0 {source="ChemIDplus"} xref: PMID:6794350 {source="Europe PMC"} is_a: CHEBI:140949 ! fatty acid 18:2 is_a: CHEBI:26208 ! polyunsaturated fatty acid is_a: CHEBI:36326 ! octadecanoid is_a: CHEBI:53339 ! olefinic fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid relationship: is_conjugate_acid_of CHEBI:25626 ! octadecadienoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.446" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.24023" xsd:string [Term] id: CHEBI:25634 name: octadecenoic acid namespace: chebi_ontology def: "Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain." [] subset: 3_STAR synonym: "octadecenoic acid" EXACT IUPAC_NAME [IUPAC] xref: PMID:18832207 {source="Europe PMC"} xref: PMID:19106329 {source="Europe PMC"} xref: PMID:7276754 {source="Europe PMC"} is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:25413 ! monounsaturated fatty acid is_a: CHEBI:53339 ! olefinic fatty acid relationship: is_conjugate_acid_of CHEBI:78049 ! octadecenoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.462" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string [Term] id: CHEBI:2564 name: aldrin namespace: chebi_ontology def: "An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant." [] subset: 3_STAR synonym: "(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene" RELATED [ChemIDplus] synonym: "(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "aldrine" RELATED [ChemIDplus] synonym: "Compound 118" RELATED [ChemIDplus] synonym: "HHDN" RELATED [ChemIDplus] xref: CAS:309-00-2 {source="Alan Wood's Pesticides"} xref: CAS:309-00-2 {source="ChemIDplus"} xref: CAS:309-00-2 {source="NIST Chemistry WebBook"} xref: CAS:309-00-2 {source="KEGG COMPOUND"} xref: KEGG:C07552 xref: Patent:US2635977 xref: Patent:US2911447 xref: Pesticides:aldrin {source="Alan Wood's Pesticides"} xref: PMID:18427830 {source="Europe PMC"} xref: PMID:21724225 {source="Europe PMC"} xref: PMID:26449612 {source="Europe PMC"} xref: PMID:28101603 {source="Europe PMC"} xref: PMID:28393264 {source="Europe PMC"} xref: PPDB:21 xref: Reaxys:2336652 {source="Reaxys"} xref: Wikipedia:Aldrin is_a: CHEBI:25705 ! organochlorine insecticide relationship: has_role CHEBI:136644 ! proinsecticide relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QBYJBZPUGVGKQQ-SJJAEHHWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.91000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.87572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl" xsd:string [Term] id: CHEBI:25646 name: octanoate namespace: chebi_ontology def: "A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis." [] subset: 3_STAR synonym: "1-heptanecarboxylate" RELATED [ChEBI] synonym: "caprilate" RELATED [ChEBI] synonym: "caprylate" RELATED [ChEBI] synonym: "CH3-[CH2]6-COO(-)" RELATED [ChEBI] synonym: "n-caprylate" RELATED [ChEBI] synonym: "n-octanoate" RELATED [ChEBI] synonym: "n-octoate" RELATED [ChEBI] synonym: "n-octylate" RELATED [ChEBI] synonym: "octanoate" EXACT IUPAC_NAME [IUPAC] synonym: "octanoate" EXACT [ChemIDplus] synonym: "octanoate" EXACT [UniProt] synonym: "octanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "octylate" RELATED [ChEBI] xref: Beilstein:3588079 {source="Beilstein"} xref: CAS:74-81-7 {source="ChemIDplus"} xref: Gmelin:329219 {source="Gmelin"} xref: PMID:11983812 {source="Europe PMC"} xref: Reaxys:3588079 {source="Reaxys"} xref: UM-BBD_compID:c0047 {source="UM-BBD"} is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78117 ! fatty acid anion 8:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28837 ! octanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WWZKQHOCKIZLMA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.10775" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCC)C(=O)[O-]" xsd:string [Term] id: CHEBI:2567 name: alendronic acid namespace: chebi_ontology def: "A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups." [] subset: 3_STAR synonym: "(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)" EXACT IUPAC_NAME [IUPAC] synonym: "(4-Amino-1-hydroxybutylidene)bisphosphonic acid" RELATED [KEGG_COMPOUND] synonym: "acide alendronique" RELATED INN [ChemIDplus] synonym: "acido alendronico" RELATED INN [ChemIDplus] synonym: "acidum alendronicum" RELATED INN [ChemIDplus] synonym: "Alendronate" RELATED [KEGG_COMPOUND] synonym: "Alendronic acid" EXACT [KEGG_COMPOUND] synonym: "alendronic acid" RELATED INN [ChemIDplus] xref: Beilstein:2275403 {source="Beilstein"} xref: CAS:66376-36-1 {source="ChemIDplus"} xref: Drug_Central:112 {source="DrugCentral"} xref: DrugBank:DB00630 xref: HMDB:HMDB0001915 xref: KEGG:C07752 xref: KEGG:D07119 xref: LINCS:LSM-5831 xref: MetaCyc:ALENDRONATE xref: Patent:BE903519 xref: Patent:US4705651 xref: PDBeChem:AHD xref: PMID:12657258 {source="ChEMBL"} xref: PMID:16626694 {source="Europe PMC"} xref: PMID:19630066 {source="Europe PMC"} xref: PMID:24676887 {source="Europe PMC"} xref: PMID:25315260 {source="Europe PMC"} xref: PMID:25442070 {source="Europe PMC"} xref: PMID:25445446 {source="Europe PMC"} xref: PMID:25461393 {source="Europe PMC"} xref: PMID:25577217 {source="Europe PMC"} xref: PMID:25592133 {source="Europe PMC"} xref: PMID:25595570 {source="Europe PMC"} xref: PMID:25603732 {source="Europe PMC"} xref: PMID:25619515 {source="Europe PMC"} xref: PMID:25636638 {source="Europe PMC"} xref: PMID:25639838 {source="Europe PMC"} xref: Reaxys:2275403 {source="Reaxys"} xref: Wikipedia:Alendronic_acid is_a: CHEBI:50994 ! primary amino compound is_a: CHEBI:77383 ! 1,1-bis(phosphonic acid) relationship: has_role CHEBI:50643 ! EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor relationship: has_role CHEBI:50646 ! bone density conservation agent relationship: is_conjugate_acid_of CHEBI:50647 ! alendronate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H13NO7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGSPWJRAVKPPFI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.09600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.01673" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(O)(P(O)(O)=O)P(O)(O)=O" xsd:string [Term] id: CHEBI:25676 name: oligopeptide namespace: chebi_ontology alt_id: CHEBI:7755 def: "A peptide containing a relatively small number of amino acids." [] subset: 3_STAR synonym: "Oligopeptid" RELATED [ChEBI] synonym: "oligopeptides" EXACT IUPAC_NAME [IUPAC] synonym: "oligopeptido" RELATED [ChEBI] xref: Wikipedia:Oligopeptide is_a: CHEBI:16670 ! peptide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25681 name: omega-3 fatty acid name: ω−3 fatty acid namespace: chebi_ontology def: "A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid." [] subset: 3_STAR synonym: "n-3 fatty acid" RELATED [] synonym: "n-3 fatty acids" RELATED [] synonym: "omega-3 fatty acid" EXACT [] synonym: "omega-3 fatty acids" RELATED [] synonym: "omega-3-fatty acid" EXACT [] xref: PMID:15129302 xref: PMID:15253883 xref: PMID:15555528 xref: PMID:16741195 xref: PMID:19154523 xref: PMID:19439966 xref: PMID:21975796 xref: PMID:23643471 xref: PMID:24012777 xref: PMID:24122252 xref: PMID:24128563 xref: PMID:24172034 xref: PMID:24211484 xref: PMID:24240437 xref: PMID:24246761 xref: PMID:24281905 xref: PMID:24397938 xref: PMID:24401220 xref: PMID:24418228 xref: Wikipedia:Omega-3_fatty_acid is_a: CHEBI:59549 ! essential fatty acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25693 name: organic heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heteromonocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33670 ! heteromonocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25696 name: organic anion namespace: chebi_ontology def: "Any organic ion with a net negative charge." [] subset: 3_STAR synonym: "organic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:25699 ! organic ion [Term] id: CHEBI:25697 name: organic cation namespace: chebi_ontology def: "Any organic ion with a net positive charge." [] subset: 3_STAR synonym: "organic cations" RELATED [ChEBI] is_a: CHEBI:25699 ! organic ion is_a: CHEBI:36916 ! cation property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25698 name: ether namespace: chebi_ontology def: "An organooxygen compound with formula ROR, where R is not hydrogen." [] subset: 3_STAR synonym: "ether" EXACT IUPAC_NAME [IUPAC] synonym: "ethers" EXACT IUPAC_NAME [IUPAC] synonym: "ethers" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]O[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25699 name: organic ion namespace: chebi_ontology subset: 3_STAR synonym: "organic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25701 name: organic oxide namespace: chebi_ontology def: "An oxide in which the oxygen atom is bonded to a carbon atom." [] subset: 3_STAR synonym: "organic oxides" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide is_a: CHEBI:72695 ! organic molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25703 name: organic phosphate namespace: chebi_ontology subset: 3_STAR synonym: "organic phosphate" EXACT [ChEBI] synonym: "organic phosphate ester" RELATED [ChEBI] synonym: "organic phosphate esters" RELATED [ChEBI] synonym: "organic phosphates" RELATED [ChEBI] synonym: "organophosphate ester" RELATED [ChEBI] synonym: "organophosphate esters" RELATED [ChEBI] xref: Wikipedia:Organophosphate is_a: CHEBI:25710 ! organophosphorus compound is_a: CHEBI:26020 ! phosphate [Term] id: CHEBI:25704 name: organic sulfate namespace: chebi_ontology def: "Compounds of the general formula SO3HOR where R is an organyl group" [] subset: 3_STAR synonym: "organic sulfates" RELATED [ChEBI] is_a: CDNO:0000021 ! dietary sulfur is_a: CHEBI:26820 ! sulfates relationship: is_conjugate_acid_of CHEBI:58958 ! organosulfate oxoanion property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25705 name: organochlorine insecticide namespace: chebi_ontology def: "Any organochlorine pesticide that has been used as an insecticide." [] subset: 3_STAR synonym: "chlororganische Insektizide" RELATED [ChEBI] synonym: "organochloride insecticide" RELATED [ChEBI] synonym: "organochloride insecticides" RELATED [ChEBI] synonym: "organochlorine insecticides" RELATED [ChEBI] synonym: "Organochlorinsektizid" RELATED [ChEBI] is_a: CHEBI:38656 ! organochlorine pesticide relationship: has_role CHEBI:24852 ! insecticide [Term] id: CHEBI:25706 name: organomercury compound namespace: chebi_ontology def: "A compound containing at least one carbon-mercury bond." [] subset: 3_STAR synonym: "organomercury compounds" RELATED [ChEBI] is_a: CHEBI:25196 ! mercury molecular entity is_a: CHEBI:25707 ! organometallic compound [Term] id: CHEBI:25707 name: organometallic compound namespace: chebi_ontology def: "A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group." [] subset: 3_STAR synonym: "metalloorganic compounds" RELATED [ChEBI] synonym: "metalloorganics" RELATED [ChEBI] synonym: "metalorganic compounds" RELATED [ChEBI] synonym: "organometallic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organometallics" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:25708 name: organophosphate insecticide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphate insecticides" RELATED [ChEBI] is_a: CHEBI:25711 ! organophosphorus insecticide [Term] id: CHEBI:2571 name: aliphatic alcohol namespace: chebi_ontology def: "An alcohol derived from an aliphatic compound." [] subset: 3_STAR synonym: "Aliphatic alcohol" EXACT [KEGG_COMPOUND] synonym: "aliphatic alcohols" RELATED [ChEBI] synonym: "an aliphatic alcohol" RELATED [UniProt] xref: KEGG:C02525 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25710 name: organophosphorus compound namespace: chebi_ontology def: "An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters." [] subset: 3_STAR synonym: "organophosphorus compound" EXACT [ChEBI] synonym: "organophosphorus compounds" RELATED [ChEBI] xref: Wikipedia:Organophosphorus_compound is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33285 ! heteroorganic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25711 name: organophosphorus insecticide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphorus insecticides" RELATED [ChEBI] is_a: CHEBI:39093 ! organophosphorus pesticide relationship: has_role CHEBI:24852 ! insecticide [Term] id: CHEBI:25713 name: organosilicon compound namespace: chebi_ontology def: "An organosilicon compound is a compound containing at least one carbon-silicon bond." [] subset: 3_STAR synonym: "organosilicon compound" EXACT [ChEBI] synonym: "organosilicon compounds" RELATED [ChEBI] synonym: "silicoorganic compounds" RELATED [ChEBI] is_a: CHEBI:26677 ! silicon molecular entity is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:25715 name: organothiophosphate insecticide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphorothioate insecticide" RELATED [ChEBI] synonym: "organothiophosphate insecticides" RELATED [ChEBI] is_a: CHEBI:25711 ! organophosphorus insecticide [Term] id: CHEBI:25716 name: organothiophosphorus compound namespace: chebi_ontology def: "An organothiophosphorus compound is an organophosphorus compound which contains a phosphorus-sulfur bond." [] subset: 3_STAR synonym: "organothiophosphorus compounds" RELATED [ChEBI] is_a: CHEBI:25710 ! organophosphorus compound is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:25717 name: organotin compound namespace: chebi_ontology subset: 3_STAR synonym: "organotin compounds" RELATED [ChEBI] synonym: "stannanes" RELATED [ChEBI] is_a: CHEBI:25707 ! organometallic compound is_a: CHEBI:27008 ! tin molecular entity [Term] id: CHEBI:25728 name: osmolyte namespace: chebi_ontology def: "A solute used by a cell under water stress to maintain cell volume." [] subset: 3_STAR synonym: "osmolytes" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:25741 name: oxide namespace: chebi_ontology def: "An oxide is a chemical compound of oxygen with other chemical elements." [] subset: 3_STAR synonym: "oxide" EXACT [ChEBI] synonym: "oxides" RELATED [ChEBI] is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25750 name: oxime namespace: chebi_ontology def: "Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes." [] subset: 3_STAR synonym: "oxime" EXACT [IUPAC] synonym: "oximes" EXACT IUPAC_NAME [IUPAC] synonym: "oximes" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity is_a: CHEBI:51143 ! nitrogen molecular entity relationship: is_conjugate_acid_of CHEBI:142513 ! oxime anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNOR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.02470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O\\N=C(\\[*])[*]" xsd:string [Term] id: CHEBI:25754 name: oxo carboxylic acid namespace: chebi_ontology def: "Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule." [] subset: 3_STAR synonym: "oxo acids" RELATED [IUPAC] synonym: "oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "oxo carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35903 ! oxo carboxylic acid anion [Term] id: CHEBI:2580 name: unsaturated fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety." [] subset: 3_STAR is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:27208 ! unsaturated fatty acid [Term] id: CHEBI:25805 name: oxygen atom namespace: chebi_ontology subset: 3_STAR synonym: "8O" RELATED [IUPAC] synonym: "O" RELATED [IUPAC] synonym: "oxigeno" RELATED [ChEBI] synonym: "oxygen" EXACT IUPAC_NAME [IUPAC] synonym: "oxygen" RELATED [ChEBI] synonym: "oxygene" RELATED [ChEBI] synonym: "Sauerstoff" RELATED [ChEBI] xref: KEGG:C00007 xref: WebElements:O is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVGXLLKOCUKJST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]" xsd:string [Term] id: CHEBI:25806 name: oxygen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "oxygen molecular entities" RELATED [ChEBI] synonym: "oxygen molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:25805 ! oxygen atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25810 name: oxopurine namespace: chebi_ontology subset: 3_STAR synonym: "oxopurines" RELATED [ChEBI] is_a: CHEBI:26401 ! purines [Term] id: CHEBI:25812 name: ozone is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:25362 ! elemental molecule is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:33265 ! triatomic oxygen [Term] id: CHEBI:25830 name: p-quinones namespace: chebi_ontology def: "A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring." [] subset: 3_STAR synonym: "p-quinone" RELATED [ChEBI] synonym: "para-quinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25835 name: hexadecanoate ester def: "A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol." [] is_a: CHEBI:35748 ! fatty acid ester property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:25848 name: pantothenic acids namespace: chebi_ontology def: "A class of amides formed from pantoic acid and beta-alanine and its derivatives." [] subset: 3_STAR is_a: CHEBI:22823 ! beta-alanine derivative is_a: CHEBI:37622 ! carboxamide relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:27314 ! water-soluble vitamin (role) [Term] id: CHEBI:25892 name: pentanone namespace: chebi_ontology def: "Any ketone that is pentane substituted by an oxo group at unspecified position." [] subset: 3_STAR synonym: "pentanones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:25900 name: aldopentose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aldopentose phosphate" EXACT [ChEBI] synonym: "aldopentose phosphates" RELATED [ChEBI] is_a: CHEBI:35131 ! aldose phosphate is_a: CHEBI:84055 ! pentose phosphate [Term] id: CHEBI:25901 name: pentose namespace: chebi_ontology def: "A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose)." [] subset: 3_STAR synonym: "pentose" EXACT [ChEBI] synonym: "pentoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:25903 name: peptide antibiotic namespace: chebi_ontology def: "A chemically diverse class of peptides that exhibit antimicrobial properties." [] subset: 3_STAR synonym: "peptide antibiotics" RELATED [ChEBI] xref: MetaCyc:Peptide-Antibiotics xref: PMID:33398258 {source="Europe PMC"} is_a: CHEBI:16670 ! peptide relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:25905 name: peptide hormone namespace: chebi_ontology def: "Any peptide with hormonal activity in animals, whether endocrine, neuroendocrine, or paracrine." [] subset: 3_STAR synonym: "peptide hormones" RELATED [ChEBI] synonym: "polypeptide hormone" RELATED [ChEBI] is_a: CHEBI:16670 ! peptide relationship: has_role CHEBI:24621 ! hormone [Term] id: CHEBI:25940 name: peroxides namespace: chebi_ontology def: "Compounds of structure ROOR'." [] subset: 3_STAR synonym: "a peroxide" RELATED [UniProt] is_a: CHEBI:25741 ! oxide relationship: has_part CHEBI:29369 ! peroxy group relationship: has_role CHEBI:63248 ! oxidising agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OO[*]" xsd:string [Term] id: CHEBI:25943 name: pesticide synergist namespace: chebi_ontology def: "A substance that increases the efficacy of a pesticide." [] subset: 3_STAR synonym: "pesticide synergists" RELATED [ChEBI] is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:25944 name: pesticide namespace: chebi_ontology def: "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests." [] subset: 3_STAR synonym: "pesticide" EXACT IUPAC_NAME [IUPAC] synonym: "pesticides" RELATED [ChEBI] synonym: "Pestizid" RELATED [ChEBI] synonym: "Pestizide" RELATED [ChEBI] xref: Wikipedia:Pesticide is_a: CHEBI:33232 ! application [Term] id: CHEBI:25961 name: phenanthrenes namespace: chebi_ontology def: "Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:38032 ! carbotricyclic compound relationship: has_role CHEBI:35703 ! xenobiotic [Term] id: CHEBI:25978 name: phenylacetic acids namespace: chebi_ontology def: "Any monocarboxylic acid that is phenylacetic acid or its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:25985 name: phenylalanine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues." [] subset: 3_STAR is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:28044 ! phenylalanine [Term] id: CHEBI:25990 name: phenylethanolamines namespace: chebi_ontology def: "An ethanolamine compound having a phenyl (substituted or unsubstituted) group on the carbon bearing the hydroxy substituent." [] subset: 3_STAR is_a: CHEBI:23981 ! ethanolamines [Term] id: CHEBI:25996 name: phenylhydrazines namespace: chebi_ontology def: "Any member of the class of hydrazines carrying a phenyl substituent." [] subset: 3_STAR is_a: CHEBI:24631 ! hydrazines [Term] id: CHEBI:26004 name: phenylpropanoid namespace: chebi_ontology def: "Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin." [] subset: 3_STAR synonym: "phenylpropanoids" RELATED [ChEBI] xref: Wikipedia:Phenylpropanoid is_a: CHEBI:26848 ! tannin property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26013 name: pheromone namespace: chebi_ontology def: "A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour." [] subset: 3_STAR synonym: "ectohormone" RELATED [IUPAC] synonym: "feromone" RELATED [IUPAC] synonym: "pheromone" EXACT IUPAC_NAME [IUPAC] synonym: "pheromones" RELATED [ChEBI] xref: PMID:23988175 {source="Europe PMC"} xref: Wikipedia:Pheromone is_a: CHEBI:26645 ! semiochemical [Term] id: CHEBI:26020 name: phosphate namespace: chebi_ontology def: "Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom." [] subset: 3_STAR synonym: "phosphates" EXACT IUPAC_NAME [IUPAC] synonym: "phosphates" RELATED [ChEBI] is_a: CHEBI:26079 ! phosphoric acid derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26043 name: phosphinic ester namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:35701 ! ester [Term] id: CHEBI:26045 name: phosphite ion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33461 ! phosphorus oxoanion [Term] id: CHEBI:26066 name: phosphonate namespace: chebi_ontology subset: 3_STAR synonym: "phosphonates" RELATED [ChEBI] is_a: CHEBI:37588 ! phosphonic acid derivative [Term] id: CHEBI:26069 name: phosphonic acids namespace: chebi_ontology def: "HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives." [] subset: 3_STAR synonym: "phosphonic acids" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives [Term] id: CHEBI:26078 name: phosphoric acid namespace: chebi_ontology def: "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant synergist, sequestrant. subset: 3_STAR synonym: "[PO(OH)3]" RELATED [IUPAC] synonym: "acide phosphorique" RELATED [ChEBI] synonym: "acidum phosphoricum" RELATED [ChEBI] synonym: "H3PO4" RELATED [IUPAC] synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] synonym: "phosphoric acid" EXACT [IUPAC] synonym: "Phosphorsaeure" RELATED [ChEBI] synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1921286 {source="Beilstein"} xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} xref: CAS:7664-38-2 {source="KEGG COMPOUND"} xref: CAS:7664-38-2 {source="ChemIDplus"} xref: Codex:\:338 xref: Drug_Central:4478 {source="DrugCentral"} xref: Europe:\:338 xref: Gmelin:2000 {source="Gmelin"} xref: HMDB:HMDB0002142 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3186 xref: KEGG:C00009 xref: KEGG:D05467 xref: KNApSAcK:C00007408 xref: PMID:11455380 {source="Europe PMC"} xref: PMID:15630224 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17518491 {source="Europe PMC"} xref: PMID:22282755 {source="Europe PMC"} xref: PMID:22333268 {source="Europe PMC"} xref: PMID:22381614 {source="Europe PMC"} xref: PMID:22401268 {source="Europe PMC"} xref: Reaxys:1921286 {source="Reaxys"} xref: Wikipedia:Phosphoric_Acid is_a: CDNO:0000018 ! dietary phosphorus is_a: CHEBI:59698 ! phosphoric acids is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:33287 ! fertilizer relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:39745 ! dihydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string property_value: IAO:0000118 "phosphoric acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26079 name: phosphoric acid derivative namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:36359 ! phosphorus oxoacid derivative relationship: has_functional_parent CHEBI:26078 ! phosphoric acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26082 name: phosphorus molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus molecular entities" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:28659 ! phosphorus atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26087 name: photosynthetic electron-transport chain inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24527 ! herbicide is_a: CHEBI:38496 ! electron-transport chain inhibitor [Term] id: CHEBI:26088 name: photosystem-I inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26087 ! photosynthetic electron-transport chain inhibitor [Term] id: CHEBI:26089 name: photosystem-II inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26087 ! photosynthetic electron-transport chain inhibitor [Term] id: CHEBI:26092 name: phthalate namespace: chebi_ontology subset: 3_STAR synonym: "phthalates" RELATED [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:26094 name: benzenedicarboxylic acid namespace: chebi_ontology def: "A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class)." [] subset: 3_STAR synonym: "benzenedicarboxylic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:35692 ! dicarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.131" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.02661" xsd:string [Term] id: CHEBI:26106 name: phylloquinones is_a: CHEBI:26127 ! phytylnaphthoquinone is_a: CHEBI:26255 ! prenylquinone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26115 name: phytoalexin namespace: chebi_ontology def: "A toxin made by a plant that acts against an organism attacking it." [] subset: 3_STAR synonym: "phytoalexins" RELATED [ChEBI] is_a: CHEBI:38231 ! phytotoxin [Term] id: CHEBI:26124 name: phytosteroid namespace: chebi_ontology subset: 3_STAR synonym: "phytosteroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:26127 name: phytylnaphthoquinone is_a: CHEBI:25481 ! naphthoquinone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26130 name: biological pigment namespace: chebi_ontology def: "An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light." [] subset: 3_STAR synonym: "pigments" RELATED [ChEBI] is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:26144 name: piperazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26151 name: piperidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26155 name: plant growth regulator namespace: chebi_ontology def: "A chemical, natural or artificial, that can affect the rate of growth of a plant." [] subset: 3_STAR synonym: "plant growth regulators" RELATED [ChEBI] is_a: CHEBI:39317 ! growth regulator [Term] id: CHEBI:26167 name: polar amino acid namespace: chebi_ontology alt_id: CHEBI:8283 def: "Any amino acid whose side chain is capable of forming one or more hydrogen bonds." [] subset: 3_STAR synonym: "polar amino acid" EXACT [ChEBI] synonym: "polar amino acids" RELATED [ChEBI] synonym: "polar amino-acid" RELATED [ChEBI] synonym: "polar amino-acids" RELATED [ChEBI] xref: MetaCyc:Polar-amino-acids xref: PMID:12016058 {source="Europe PMC"} is_a: CHEBI:33709 ! amino acid relationship: is_tautomer_of CHEBI:62031 ! polar amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C(*)N)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26188 name: polyketide namespace: chebi_ontology def: "Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides." [] subset: 3_STAR synonym: "polyketide" EXACT [ChEBI] synonym: "polyketides" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:26191 name: polyol namespace: chebi_ontology def: "A compound that contains two or more hydroxy groups." [] subset: 3_STAR synonym: "polyols" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:33822 ! organic hydroxy compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26195 name: polyphenol namespace: chebi_ontology def: "Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "polyphenols" RELATED [ChEBI] xref: Wikipedia:Polyphenol is_a: CHEBI:33853 ! phenols property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26199 name: polyprenol namespace: chebi_ontology alt_id: CHEBI:8317 def: "Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units." [] subset: 3_STAR synonym: "polyprenols" RELATED [ChEBI] xref: KEGG:C06081 is_a: CHEBI:26244 ! prenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)nC10H18O" xsd:string [Term] id: CHEBI:26208 name: polyunsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome." [] subset: 3_STAR synonym: "polyunsaturated fatty acids" RELATED [ChEBI] synonym: "PUFA" RELATED [ChEBI] synonym: "PUFAs" RELATED [ChEBI] xref: PMID:14977874 {source="Europe PMC"} xref: PMID:16380690 {source="Europe PMC"} xref: PMID:17891522 {source="Europe PMC"} is_a: CHEBI:27208 ! unsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:76567 ! polyunsaturated fatty acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26216 name: potassium atom namespace: chebi_ontology subset: 3_STAR synonym: "19K" RELATED [IUPAC] synonym: "K" RELATED [IUPAC] synonym: "Kalium" RELATED [ChemIDplus] synonym: "kalium" RELATED [IUPAC] synonym: "potasio" RELATED [ChEBI] synonym: "potassium" EXACT IUPAC_NAME [IUPAC] synonym: "potassium" RELATED [ChEBI] xref: CAS:7440-09-7 {source="ChemIDplus"} xref: DrugBank:DB01345 xref: KEGG:C00238 xref: WebElements:K is_a: CHEBI:22314 ! alkali metal atom relationship: has_role CHEBI:33937 ! macronutrient relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLMJMSJWJFRBEC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96371" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26217 name: potassium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "potassium molecular entities" RELATED [ChEBI] synonym: "potassium molecular entity" EXACT [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26216 ! potassium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26218 name: potassium salt namespace: chebi_ontology def: "Any alkali metal salt having potassium(1+) as the cation." [] subset: 3_STAR synonym: "Kaliumsalz" RELATED [ChEBI] synonym: "Kaliumsalze" RELATED [ChEBI] synonym: "potassium salts" RELATED [ChEBI] is_a: CHEBI:26217 ! potassium molecular entity is_a: CHEBI:35479 ! alkali metal salt relationship: has_part CHEBI:29103 ! potassium(1+) property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26220 name: precocenes namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24941 ! juvenile hormone antagonists [Term] id: CHEBI:26244 name: prenols namespace: chebi_ontology def: "Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids)." [] subset: 3_STAR synonym: "prenols" EXACT IUPAC_NAME [IUPAC] xref: PMID:3113948 {source="Europe PMC"} xref: PMID:4207873 {source="Europe PMC"} is_a: CHEBI:24913 ! isoprenoid is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:26255 name: prenylquinone def: "A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones." [] is_a: CHEBI:25830 ! p-quinones property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26271 name: proline namespace: chebi_ontology def: "An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2." [] subset: 3_STAR synonym: "DL-Proline" RELATED [KEGG_COMPOUND] synonym: "Hpro" RELATED [IUPAC] synonym: "Prolin" RELATED [ChEBI] synonym: "prolina" RELATED [ChEBI] synonym: "proline" EXACT [ChEBI] synonym: "proline" EXACT IUPAC_NAME [IUPAC] synonym: "pyrrolidine-2-carboxylic acid" RELATED [IUPAC] xref: Beilstein:80809 {source="Beilstein"} xref: CAS:609-36-9 {source="KEGG COMPOUND"} xref: CAS:609-36-9 {source="NIST Chemistry WebBook"} xref: CAS:609-36-9 {source="ChemIDplus"} xref: Gmelin:26927 {source="Gmelin"} xref: KEGG:C16435 xref: PMID:16534801 {source="Europe PMC"} xref: PMID:21400017 {source="Europe PMC"} xref: PMID:21903295 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22280966 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:80809 {source="Reaxys"} xref: Wikipedia:Proline is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:38260 ! pyrrolidines relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32871 ! prolinate relationship: is_conjugate_base_of CHEBI:32872 ! prolinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1CCCN1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26273 name: proline derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues." [] subset: 3_STAR synonym: "proline derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:26271 ! proline [Term] id: CHEBI:26276 name: prometryn namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6." [] subset: 3_STAR synonym: "2-(methylthio)-4,6-bis(isopropylamino)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "6-(methylsulfanyl)-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N'-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine" RELATED [ChEBI] synonym: "Prometryn" EXACT [UM-BBD] synonym: "Prometryne" RELATED [ChemIDplus] xref: Beilstein:613575 {source="Beilstein"} xref: CAS:7287-19-6 {source="NIST Chemistry WebBook"} xref: CAS:7287-19-6 {source="KEGG COMPOUND"} xref: CAS:7287-19-6 {source="ChemIDplus"} xref: Gmelin:1044597 {source="Gmelin"} xref: KEGG:C18542 xref: LINCS:LSM-20941 xref: MetaCyc:CPD-9344 xref: Patent:CN101971818 xref: Patent:CN101971820 xref: Pesticides:prometryn {source="Alan Wood's Pesticides"} xref: PMID:24138459 {source="Europe PMC"} xref: PMID:24485317 {source="Europe PMC"} xref: PPDB:542 xref: Reaxys:613575 {source="Reaxys"} xref: UM-BBD_compID:c0255 {source="UM-BBD"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38174 ! methylthio-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AAEVYOVXGOFMJO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.35756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.13612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1nc(NC(C)C)nc(NC(C)C)n1" xsd:string [Term] id: CHEBI:26279 name: propan-1-ols namespace: chebi_ontology def: "A primary alcohol based on a propan-1-olskeleton and its substituted derivatives." [] subset: 3_STAR synonym: "propan-1-ols" EXACT [ChEBI] is_a: CHEBI:15734 ! primary alcohol [Term] id: CHEBI:26282 name: propanals namespace: chebi_ontology def: "An aldehyde based on a propanal skeleton and its derivatives." [] subset: 3_STAR is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:26284 name: propane-1,2-diols is_a: CHEBI:26288 ! propanediol [Term] id: CHEBI:26288 name: propanediol is_a: CHEBI:13643 ! glycol [Term] id: CHEBI:26292 name: propanones namespace: chebi_ontology def: "A ketone that is propane carrying at least one oxo substituent." [] subset: 3_STAR is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:2630 name: hydramethylnon namespace: chebi_ontology def: "A member of the class of hydrazones that is used as an insecticide for control of ants and cockroaches." [] subset: 3_STAR synonym: "5,5-dimethyltetrahydropyrimidin-2(1H)-one (3-[4-(trifluoromethyl)phenyl]-1-{2-[4-(trifluoromethyl)phenyl]ethenyl}prop-2-en-1-ylidene)hydrazone" EXACT IUPAC_NAME [IUPAC] synonym: "Hydramethylnon" EXACT [KEGG_COMPOUND] synonym: "Maxforce" RELATED [ChEBI] synonym: "tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (1,5-bis(alpha,alpha,alpha-trifluoro-p-tolyl)-1,4-pentadien-3-one)hydrazone" RELATED [ChemIDplus] synonym: "tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone (3-(4-(trifluoromethyl)phenyl)-1-(2-(4-(trifluoromethyl)phenyl)ethenyl)-2-propenylidene)hydrazone" RELATED [ChemIDplus] xref: Beilstein:6015162 {source="ChemIDplus"} xref: CAS:67485-29-4 {source="ChemIDplus"} xref: CAS:67485-29-4 {source="NIST Chemistry WebBook"} xref: CAS:67485-29-4 {source="KEGG COMPOUND"} xref: KEGG:C10994 xref: PMID:1517507 {source="Europe PMC"} xref: PMID:21383534 {source="Europe PMC"} xref: PMID:23148883 {source="Europe PMC"} xref: PMID:23156173 {source="Europe PMC"} xref: PMID:24665704 {source="Europe PMC"} xref: PPDB:386 xref: Reaxys:6015162 {source="Reaxys"} is_a: CHEBI:24436 ! guanidines is_a: CHEBI:38532 ! hydrazone is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:78840 ! olefinic compound is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:38499 ! mitochondrial cytochrome-bc1 complex inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H24F6N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQVNEKKDSLOHHK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "494.47544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "494.19052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])C(=NN=C1NCC(C)(C)CN1)C([H])=C([H])c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F" xsd:string [Term] id: CHEBI:26300 name: propenol namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:15734 ! primary alcohol [Term] id: CHEBI:26307 name: propionitrile namespace: chebi_ontology def: "A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond." [] subset: 3_STAR synonym: "CH3CH2CN" RELATED [ChEBI] synonym: "cyanoethane" RELATED [ChemIDplus] synonym: "EtCN" RELATED [ChEBI] synonym: "ethyl cyanide" RELATED [ChemIDplus] synonym: "n-propanenitrile" RELATED [NIST_Chemistry_WebBook] synonym: "propanenitrile" RELATED [ChemIDplus] synonym: "propionic nitrile" RELATED [ChemIDplus] synonym: "propiononitrile" RELATED [ChemIDplus] xref: CAS:107-12-0 {source="ChemIDplus"} xref: CAS:107-12-0 {source="NIST Chemistry WebBook"} xref: MetaCyc:CPD-8860 xref: PMID:20129732 {source="Europe PMC"} xref: PMID:3315259 {source="Europe PMC"} xref: PMID:3429812 {source="Europe PMC"} xref: PMID:8331438 {source="Europe PMC"} xref: PMID:9098948 {source="Europe PMC"} xref: PMID:938041 {source="Europe PMC"} xref: Reaxys:773680 {source="Reaxys"} xref: Wikipedia:Propionitrile is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:80291 ! aliphatic nitrile relationship: has_role CHEBI:48358 ! polar aprotic solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FVSKHRXBFJPNKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC#N" xsd:string [Term] id: CHEBI:26313 name: propynol namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:15734 ! primary alcohol [Term] id: CHEBI:26333 name: prostaglandin namespace: chebi_ontology def: "Naturally occurring compounds derived from the parent C20 acid, prostanoic acid." [] subset: 3_STAR synonym: "prostaglandin" EXACT [ChEBI] synonym: "prostaglandins" EXACT IUPAC_NAME [IUPAC] synonym: "prostaglandins" RELATED [ChEBI] xref: CAS:11000-26-3 {source="ChemIDplus"} xref: LIPID_MAPS_class:LMFA0301 {source="LIPID MAPS"} is_a: CHEBI:26347 ! prostanoid relationship: has_functional_parent CHEBI:8504 ! prostanoic acid relationship: is_conjugate_acid_of CHEBI:59326 ! prostaglandin carboxylic acid anion [Term] id: CHEBI:26337 name: prostaglandins D namespace: chebi_ontology subset: 3_STAR synonym: "PGD" RELATED [ChEBI] is_a: CHEBI:26333 ! prostaglandin is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:36132 ! alicyclic ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.09990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1CC(=O)[C@H]([*])[C@H]1[*]" xsd:string [Term] id: CHEBI:26338 name: prostaglandins E namespace: chebi_ontology subset: 3_STAR synonym: "PGE" RELATED [ChEBI] is_a: CHEBI:26333 ! prostaglandin is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:3992 ! cyclic ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.09990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1CC(=O)[C@H]([*])[C@H]1[*]" xsd:string [Term] id: CHEBI:2634 name: amidine namespace: chebi_ontology def: "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine." [] subset: 3_STAR synonym: "amidine" EXACT [IUPAC] synonym: "Amidines" RELATED [KEGG_COMPOUND] synonym: "amidines" EXACT IUPAC_NAME [IUPAC] synonym: "amidines" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:26340 name: prostaglandins F namespace: chebi_ontology subset: 3_STAR synonym: "PGF" RELATED [ChEBI] is_a: CHEBI:26333 ! prostaglandin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.11580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1C[C@@H](O)[C@H]([*])[C@H]1[*]" xsd:string [Term] id: CHEBI:26345 name: prostaglandins I namespace: chebi_ontology subset: 3_STAR synonym: "PGI" RELATED [ChEBI] is_a: CHEBI:26333 ! prostaglandin is_a: CHEBI:47783 ! cyclopentafuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H10O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.15310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C[C@@H](O)[C@H]([*])[C@@]1([H])CC([*])O2" xsd:string [Term] id: CHEBI:26347 name: prostanoid namespace: chebi_ontology def: "The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes." [] subset: 3_STAR synonym: "prostanoid" EXACT [ChEBI] synonym: "prostanoids" EXACT IUPAC_NAME [IUPAC] synonym: "prostanoids" RELATED [ChEBI] is_a: CHEBI:23899 ! icosanoid relationship: is_conjugate_acid_of CHEBI:62943 ! prostanoid anion [Term] id: CHEBI:26348 name: prosthetic group namespace: chebi_ontology def: "A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity." [] subset: 3_STAR synonym: "groupe prosthetique" RELATED [IUPAC] synonym: "prosthetic group" EXACT IUPAC_NAME [IUPAC] synonym: "prosthetic groups" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor [Term] id: CHEBI:26373 name: pteridines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26375 name: pterins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26373 ! pteridines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26384 name: pullulans is_a: CHEBI:24384 ! glycogens property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26385 name: purine alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "purine alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:26401 ! purines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26386 name: purine nucleobase namespace: chebi_ontology def: "A nucleobase whose skeleton is derived from purine." [] subset: 3_STAR synonym: "a purine nucleobase" RELATED [UniProt] synonym: "purine bases" RELATED [ChEBI] synonym: "purine nucleobase" EXACT [ChEBI] synonym: "purine nucleobases" RELATED [ChEBI] xref: KEGG:C15587 is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:26401 ! purines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H3N4R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.104" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.03577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(NC(=NC=2NC=NC12)*)=*" xsd:string [Term] id: CHEBI:2639 name: amiloride namespace: chebi_ontology alt_id: CHEBI:47210 def: "A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid." [] subset: 3_STAR synonym: "3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide" RELATED [IUPAC] synonym: "amilorida" RELATED INN [ChemIDplus] synonym: "Amiloride" EXACT [KEGG_COMPOUND] synonym: "amiloride" RELATED INN [WHO_MedNet] synonym: "amiloride" RELATED INN [ChEBI] synonym: "amiloridum" RELATED INN [ChemIDplus] synonym: "N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide" RELATED [ChemIDplus] xref: Beilstein:616612 {source="Beilstein"} xref: CAS:2609-46-3 {source="KEGG COMPOUND"} xref: CAS:2609-46-3 {source="ChemIDplus"} xref: Drug_Central:158 {source="DrugCentral"} xref: DrugBank:DB00594 xref: HMDB:HMDB0014732 xref: KEGG:C06821 xref: KEGG:D07447 xref: LINCS:LSM-4194 xref: MetaCyc:CPD-10324 xref: Patent:BE639386 xref: Patent:US3313813 xref: PDBeChem:AMR xref: PMID:16020936 {source="Europe PMC"} xref: PMID:24410943 {source="Europe PMC"} xref: PMID:24419567 {source="Europe PMC"} xref: PMID:9124403 {source="Europe PMC"} xref: Reaxys:657410 {source="Reaxys"} xref: Wikipedia:Amiloride is_a: CHEBI:24436 ! guanidines is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38314 ! pyrazines relationship: has_role CHEBI:35498 ! diuretic relationship: has_role CHEBI:38633 ! sodium channel blocker relationship: is_conjugate_base_of CHEBI:84745 ! amiloride(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8ClN7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSDQTOBWRPYKKA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.62700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.04789" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NC(=O)c1nc(Cl)c(N)nc1N" xsd:string [Term] id: CHEBI:26392 name: purine nucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:17188 ! nucleoside 5'-monophosphate [Term] id: CHEBI:26393 name: purine nucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17326 ! nucleoside 5'-triphoshate [Term] id: CHEBI:26394 name: purine nucleoside namespace: chebi_ontology subset: 3_STAR synonym: "purine nucleoside" EXACT [ChEBI] synonym: "purine nucleosides" RELATED [ChEBI] is_a: CHEBI:26401 ! purines is_a: CHEBI:33838 ! nucleoside [Term] id: CHEBI:26395 name: purine nucleotide namespace: chebi_ontology def: "Any nucleotide that has a purine nucleobase." [] subset: 3_STAR synonym: "purine nucleotides" RELATED [ChEBI] is_a: CHEBI:26401 ! purines is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:26397 name: purine ribonucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:26392 ! purine nucleoside monophosphate is_a: CHEBI:26558 ! ribonucleoside monophosphate [Term] id: CHEBI:26398 name: purine ribonucleoside triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside triphosphates" RELATED [ChEBI] is_a: CHEBI:17972 ! ribonucleoside triphosphate is_a: CHEBI:26393 ! purine nucleoside triphosphate [Term] id: CHEBI:26399 name: purine ribonucleoside namespace: chebi_ontology def: "A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration)." [] subset: 3_STAR synonym: "purine ribonucleosides" RELATED [ChEBI] is_a: CHEBI:18254 ! ribonucleoside is_a: CHEBI:26394 ! purine nucleoside property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.05008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:26400 name: purine ribonucleotide namespace: chebi_ontology def: "Any ribonucleotide that has a purine nucleobase." [] subset: 3_STAR synonym: "purine ribonucleotides" RELATED [ChEBI] is_a: CHEBI:26395 ! purine nucleotide is_a: CHEBI:26561 ! ribonucleotide [Term] id: CHEBI:26401 name: purines namespace: chebi_ontology alt_id: CHEBI:13678 def: "A class of imidazopyrimidines that consists of purine and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:35875 ! imidazopyrimidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5N4R7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01230" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26407 name: pyrans namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:26410 name: pyrazoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23677 ! diazole [Term] id: CHEBI:26413 name: pyrethroid insecticide namespace: chebi_ontology subset: 3_STAR synonym: "pyrethroid insecticides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide is_a: CHEBI:39000 ! sodium channel modulator [Term] id: CHEBI:26414 name: pyridazinone namespace: chebi_ontology subset: 3_STAR synonym: "pyridazinones" RELATED [ChEBI] is_a: CHEBI:37921 ! pyridazines [Term] id: CHEBI:26416 name: pyridine alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "pyridine alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:26421 ! pyridines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26420 name: pyridinemonocarboxylic acid namespace: chebi_ontology def: "A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring." [] subset: 3_STAR synonym: "pyridinemonocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:26421 ! pyridines is_a: CHEBI:33859 ! aromatic carboxylic acid relationship: is_conjugate_acid_of CHEBI:38181 ! pyridinemonocarboxylate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26421 name: pyridines namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26432 name: pyrimidine nucleobase namespace: chebi_ontology def: "A nucleobase whose skeleton is derived from pyrimidine." [] subset: 3_STAR synonym: "a pyrimidine nucleobase" RELATED [UniProt] synonym: "pyrimidine bases" RELATED [ChEBI] synonym: "pyrimidine nucleobase" EXACT [ChEBI] synonym: "pyrimidine nucleobases" RELATED [ChEBI] is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:39447 ! pyrimidines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HN2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "77.064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.01397" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1C(=C(C(=NC1=*)*)*)*" xsd:string [Term] id: CHEBI:26440 name: pyrimidine nucleoside namespace: chebi_ontology subset: 3_STAR synonym: "N-D-Ribosylpyrimidine" RELATED [KEGG_COMPOUND] synonym: "pyrimidine nucleosides" RELATED [ChEBI] xref: KEGG:C03169 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:26455 name: pyrroles namespace: chebi_ontology def: "An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton." [] subset: 3_STAR is_a: CHEBI:68452 ! azole [Term] id: CHEBI:26456 name: pyrrolidine alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "pyrrolidine alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:38260 ! pyrrolidines [Term] id: CHEBI:26463 name: pyruvate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class." [] subset: 3_STAR synonym: "pyruvate family amino acids" RELATED [ChEBI] is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:26469 name: quaternary nitrogen compound namespace: chebi_ontology def: "A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen." [] subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound relationship: has_part CHEBI:35267 ! quaternary ammonium ion [Term] id: CHEBI:26508 name: quinoline N-oxide namespace: chebi_ontology subset: 3_STAR synonym: "quinoline N-oxides" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines is_a: CHEBI:35580 ! N-oxide [Term] id: CHEBI:26509 name: quinoline alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "quinoline alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid [Term] id: CHEBI:26512 name: quinolinemonocarboxylic acid namespace: chebi_ontology def: "Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent." [] subset: 3_STAR synonym: "quinolinemonocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines is_a: CHEBI:33859 ! aromatic carboxylic acid relationship: is_conjugate_acid_of CHEBI:38773 ! quinolinemonocarboxylate [Term] id: CHEBI:26513 name: quinolines namespace: chebi_ontology def: "A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring." [] subset: 3_STAR is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:26519 name: radical namespace: chebi_ontology def: "A molecular entity possessing an unpaired electron." [] subset: 3_STAR synonym: "free radical" RELATED [ChEBI] synonym: "freies Radikal" RELATED [ChEBI] synonym: "radical" EXACT IUPAC_NAME [IUPAC] synonym: "radical libre" RELATED [ChEBI] synonym: "radicales libres" RELATED [ChEBI] synonym: "radicals" RELATED [IUPAC] synonym: "Radikal" RELATED [ChEBI] synonym: "Radikale" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:26523 name: reactive oxygen species namespace: chebi_ontology def: "Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers." [] subset: 3_STAR synonym: "ROS" RELATED [ChEBI] xref: Wikipedia:Reactive_oxygen_species is_a: CHEBI:25806 ! oxygen molecular entity [Term] id: CHEBI:26534 name: retinals namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:26537 ! retinoid [Term] id: CHEBI:26536 name: retinoic acid namespace: chebi_ontology def: "A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified)." [] subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-2135 xref: PMID:24506204 {source="Europe PMC"} is_a: CHEBI:26537 ! retinoid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15036 ! retinoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.43512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O" xsd:string [Term] id: CHEBI:26537 name: retinoid namespace: chebi_ontology def: "Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof." [] subset: 3_STAR synonym: "retinoid" EXACT [ChEBI] synonym: "retinoids" EXACT IUPAC_NAME [IUPAC] synonym: "retinoids" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26546 name: rhamnose namespace: chebi_ontology def: "A deoxymannose sugar that is the 6-deoxy derivative of hexose." [] subset: 3_STAR synonym: "ramnose" RELATED [] xref: PMID:24211429 xref: PMID:24831810 is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.157" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.06847" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26556 name: 1-ribosylimidazolecarboxamide namespace: chebi_ontology subset: 3_STAR synonym: "1-ribosylimidazolecarboxamides" RELATED [ChEBI] is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:37293 ! 1-ribosylimidazole [Term] id: CHEBI:26558 name: ribonucleoside monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside monophosphates" RELATED [ChEBI] is_a: CHEBI:17188 ! nucleoside 5'-monophosphate relationship: is_conjugate_acid_of CHEBI:63165 ! ribonucleoside monophosphate oxoanion [Term] id: CHEBI:26561 name: ribonucleotide namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleotides" RELATED [ChEBI] is_a: CHEBI:26562 ! ribose phosphate is_a: CHEBI:36976 ! nucleotide [Term] id: CHEBI:26562 name: ribose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribose phosphate" EXACT [ChEBI] synonym: "ribose phosphates" RELATED [ChEBI] is_a: CHEBI:25900 ! aldopentose phosphate [Term] id: CHEBI:26588 name: 1,3,5-triazines namespace: chebi_ontology def: "Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure." [] subset: 3_STAR synonym: "s-triazines" RELATED [ChEBI] is_a: CHEBI:38102 ! triazines [Term] id: CHEBI:26596 name: salicylates namespace: chebi_ontology def: "Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid." [] subset: 3_STAR xref: PMID:22866967 {source="Europe PMC"} is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:26607 name: saturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." [] subset: 3_STAR synonym: "saturated fatty acid" EXACT [ChEBI] synonym: "saturated fatty acids" RELATED [ChEBI] synonym: "SFA" RELATED [ChEBI] synonym: "SFAs" RELATED [ChEBI] xref: PMID:16492686 {source="Europe PMC"} xref: PMID:19763019 {source="Europe PMC"} xref: PMID:20237329 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26628 name: selenium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "selenium molecular entities" RELATED [ChEBI] synonym: "selenium molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:27568 ! selenium atom [Term] id: CHEBI:26645 name: semiochemical namespace: chebi_ontology def: "A molecular messenger released by an organism that affects the behaviour within or between species." [] subset: 3_STAR synonym: "semiochemicals" RELATED [ChEBI] xref: Wikipedia:Semiochemical is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:2665 name: amitraz namespace: chebi_ontology def: "A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5." [] subset: 3_STAR synonym: "1,5-di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene" RELATED [ChemIDplus] synonym: "Amitraz" EXACT [KEGG_COMPOUND] synonym: "Mitac" RELATED [KEGG_COMPOUND] synonym: "N'-(2,4-dimethylphenyl)-N-{[(2,4-dimethylphenyl)imino]methyl}-N-methylmethanimidamide" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-(methyliminodimethylidyne)bis-2,4-xylidine" RELATED [ChemIDplus] xref: Beilstein:2946590 {source="Beilstein"} xref: CAS:33089-61-1 {source="ChemIDplus"} xref: CAS:33089-61-1 {source="KEGG COMPOUND"} xref: CAS:33089-61-1 {source="NIST Chemistry WebBook"} xref: KEGG:C10995 xref: KEGG:D02380 xref: Pesticides:amitraz {source="Alan Wood's Pesticides"} xref: PMID:10885999 {source="Europe PMC"} xref: PMID:15822764 {source="Europe PMC"} xref: PMID:24288053 {source="Europe PMC"} xref: PMID:25053051 {source="Europe PMC"} xref: PPDB:30 xref: Reaxys:2946590 {source="Reaxys"} xref: VSDB:30 xref: Wikipedia:Amitraz is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:51917 ! formamidines relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H23N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QXAITBQSYVNQDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.40600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.18920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C=Nc1ccc(C)cc1C)C=Nc1ccc(C)cc1C" xsd:string [Term] id: CHEBI:26650 name: serine family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class." [] subset: 3_STAR synonym: "3-phosphoglycerate family amino acid" RELATED [ChEBI] synonym: "3-phosphoglycerate family amino acids" RELATED [ChEBI] synonym: "serine family amino acids" RELATED [ChEBI] xref: PMID:20709681 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26658 name: sesquiterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "sesquiterpenoides" RELATED [ChEBI] synonym: "sesquiterpenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR0103 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35189 ! sesquiterpene [Term] id: CHEBI:2666 name: amitriptyline namespace: chebi_ontology def: "An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5." [] subset: 3_STAR synonym: "10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene" RELATED [NIST_Chemistry_WebBook] synonym: "10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine" RELATED [NIST_Chemistry_WebBook] synonym: "3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine" RELATED [NIST_Chemistry_WebBook] synonym: "3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine" RELATED [ChEBI] synonym: "5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene" RELATED [NIST_Chemistry_WebBook] synonym: "5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene" RELATED [NIST_Chemistry_WebBook] synonym: "5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene" RELATED [NIST_Chemistry_WebBook] synonym: "Amitriptylin" RELATED [ChemIDplus] synonym: "Amitriptyline" EXACT [KEGG_COMPOUND] xref: Beilstein:2217885 {source="Beilstein"} xref: CAS:50-48-6 {source="NIST Chemistry WebBook"} xref: CAS:50-48-6 {source="ChemIDplus"} xref: CAS:50-48-6 {source="KEGG COMPOUND"} xref: Drug_Central:180 {source="DrugCentral"} xref: DrugBank:DB00321 xref: HMDB:HMDB0014466 xref: KEGG:C06824 xref: KEGG:D07448 xref: LINCS:LSM-3190 xref: Patent:CN101780063 xref: Patent:WO2011089289 xref: PMID:15554244 {source="Europe PMC"} xref: PMID:18359012 {source="Europe PMC"} xref: PMID:24447704 {source="Europe PMC"} xref: Reaxys:2217885 {source="Reaxys"} xref: VSDB:2962 xref: Wikipedia:Amitriptyline is_a: CHEBI:32876 ! tertiary amine is_a: CHEBI:38032 ! carbotricyclic compound relationship: has_parent_hydride CHEBI:35642 ! dibenzo[a,d][7]annulene relationship: has_role CHEBI:140489 ! tropomyosin-related kinase B receptor agonist relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H23N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRMDCWKBEZIMAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "277.40336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "277.18305" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCC=C1c2ccccc2CCc2ccccc12" xsd:string [Term] id: CHEBI:26666 name: short-chain fatty acid namespace: chebi_ontology def: "An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid." [] subset: 3_STAR synonym: "SCFA" RELATED [ChEBI] synonym: "SCFAs" RELATED [ChEBI] synonym: "short-chain fatty acids" RELATED [ChEBI] xref: PMID:16633129 {source="Europe PMC"} xref: PMID:16870803 {source="Europe PMC"} xref: PMID:18203540 {source="Europe PMC"} xref: PMID:20148677 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58951 ! short-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26672 name: siderophore namespace: chebi_ontology def: "Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron." [] subset: 3_STAR synonym: "ferrioxamine" RELATED [ChEBI] synonym: "ferrioxamines" RELATED [ChEBI] synonym: "ironophore" RELATED [ChEBI] synonym: "siderochrome" RELATED [ChEBI] synonym: "siderochromes" RELATED [ChEBI] synonym: "siderophore" EXACT IUPAC_NAME [IUPAC] synonym: "siderophores" RELATED [ChEBI] is_a: CHEBI:23357 ! cofactor is_a: CHEBI:24028 ! iron(3+) chelator is_a: CHEBI:24874 ! iron ionophore [Term] id: CHEBI:26677 name: silicon molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "silicon compounds" RELATED [ChEBI] synonym: "silicon molecular entities" RELATED [ChEBI] synonym: "silicon molecular entity" EXACT [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:27573 ! silicon atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:2668 name: amlodipine namespace: chebi_ontology def: "A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina." [] subset: 3_STAR synonym: "3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "3-Ethyl-5-methyl (+-)-2-(2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate" RELATED [ChemIDplus] synonym: "amlodipine" RELATED INN [ChEBI] synonym: "amlodipine" RELATED INN [KEGG_DRUG] synonym: "Amlodipine Free Base" RELATED [DrugBank] synonym: "amlodipino" RELATED INN [DrugBank] synonym: "amlodipinum" RELATED INN [DrugBank] xref: Beilstein:3570229 {source="Beilstein"} xref: CAS:88150-42-9 {source="KEGG DRUG"} xref: CAS:88150-42-9 {source="DrugBank"} xref: CAS:88150-42-9 {source="ChemIDplus"} xref: CAS:88150-42-9 {source="KEGG COMPOUND"} xref: Drug_Central:183 {source="DrugCentral"} xref: DrugBank:DB00381 xref: KEGG:C06825 xref: KEGG:D07450 xref: LINCS:LSM-1388 xref: Patent:EP89167 xref: Patent:US4572909 xref: PMID:1532771 {source="Europe PMC"} xref: PMID:16422032 {source="Europe PMC"} xref: PMID:1834846 {source="Europe PMC"} xref: PMID:19450066 {source="Europe PMC"} xref: PMID:21591999 {source="Europe PMC"} xref: PMID:7522286 {source="Europe PMC"} xref: PMID:8310972 {source="Europe PMC"} xref: PMID:8310973 {source="Europe PMC"} xref: PMID:9156957 {source="Europe PMC"} xref: Reaxys:3570229 {source="Reaxys"} xref: VSDB:2963 xref: Wikipedia:Amlodipine is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:50075 ! dihydropyridine is_a: CHEBI:50994 ! primary amino compound is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:38215 ! calcium channel blocker property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H25ClN2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HTIQEAQVCYTUBX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.87600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.14520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC" xsd:string [Term] id: CHEBI:26689 name: singlet dioxygen namespace: chebi_ontology def: "A reactive oxygen species that is the lowest excited state of the dioxygen molecule." [] subset: 3_STAR synonym: "(1)O2" RELATED [ChEBI] synonym: "singlet molecular oxygen" EXACT IUPAC_NAME [IUPAC] xref: Drug_Central:4235 {source="DrugCentral"} xref: Gmelin:491 {source="Gmelin"} xref: PMID:18264592 {source="Europe PMC"} xref: PMID:21735018 {source="Europe PMC"} xref: PMID:21883246 {source="Europe PMC"} xref: Reaxys:16514885 {source="Reaxys"} xref: Reaxys:3587218 {source="Reaxys"} xref: Wikipedia:Singlet_oxygen is_a: CHEBI:15379 ! dioxygen is_a: CHEBI:26523 ! reactive oxygen species property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2/c1-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYMOFIZGZYHOMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.99880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=O" xsd:string [Term] id: CHEBI:26706 name: sn-glycerol 3-phosphates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26707 ! glycerol phosphate [Term] id: CHEBI:26707 name: glycerol phosphate namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22297 ! alditol phosphate relationship: has_functional_parent CHEBI:17754 ! glycerol [Term] id: CHEBI:26708 name: sodium atom namespace: chebi_ontology subset: 3_STAR synonym: "11Na" RELATED [IUPAC] synonym: "Na" RELATED [IUPAC] synonym: "Natrium" RELATED [ChemIDplus] synonym: "natrium" RELATED [IUPAC] synonym: "sodio" RELATED [ChemIDplus] synonym: "sodium" EXACT IUPAC_NAME [IUPAC] synonym: "sodium" RELATED [ChEBI] xref: CAS:7440-23-5 {source="ChemIDplus"} xref: Gmelin:16221 {source="Gmelin"} xref: KEGG:C01330 xref: WebElements:Na is_a: CHEBI:22314 ! alkali metal atom relationship: has_role CHEBI:33937 ! macronutrient relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEAYESYHFKHZAL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na]" xsd:string [Term] id: CHEBI:26709 name: sodium hydrogensulfite namespace: chebi_ontology def: "An inorganic sodium salt having hydrogensulfite as the counterion." [] subset: 3_STAR synonym: "NaHSO3" RELATED [] synonym: "Natriumbisulfit" RELATED [] synonym: "Natriumhydrogensulfit" RELATED [] synonym: "primaeres Natriumsulfit" RELATED [] synonym: "saures Natriumsulfit" RELATED [] synonym: "sodium bisulfate" EXACT [] synonym: "sodium bisulfite" RELATED [] synonym: "sodium bisulphite" RELATED [] synonym: "sodium hydrogen sulfite" RELATED [] synonym: "sodium hydrogensulfite" EXACT [] xref: AGR:IND605265115 xref: CAS:7631-90-5 xref: Gmelin:22395 xref: PMID:27905861 xref: PMID:30429859 xref: PMID:32714086 xref: PMID:32785935 is_a: CHEBI:32149 ! sodium sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNaO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DWAQJAXMDSEUJJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.95441" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].OS([O-])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26710 name: sodium chloride namespace: chebi_ontology def: "An inorganic chloride salt having sodium(1+) as the counterion." [] subset: 3_STAR synonym: "chlorure de sodium" RELATED [ChEBI] synonym: "cloruro sodico" RELATED [ChEBI] synonym: "common salt" RELATED [ChemIDplus] synonym: "halite" RELATED [NIST_Chemistry_WebBook] synonym: "Kochsalz" RELATED [ChEBI] synonym: "NaCl" RELATED [IUPAC] synonym: "natrii chloridum" RELATED [ChEBI] synonym: "Natriumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "rock salt" RELATED [ChemIDplus] synonym: "salt" RELATED [ChemIDplus] synonym: "sodium chloride" EXACT [ChEBI] synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "table salt" RELATED [ChemIDplus] xref: Beilstein:3534976 {source="Beilstein"} xref: CAS:7647-14-5 {source="ChemIDplus"} xref: CAS:7647-14-5 {source="NIST Chemistry WebBook"} xref: CAS:7647-14-5 {source="KEGG COMPOUND"} xref: Gmelin:13673 {source="Gmelin"} xref: KEGG:C13563 xref: KEGG:D02056 xref: langual:thesaurus.asp?termid=B1655 xref: MetaCyc:NACL xref: PPDB:595 xref: Reaxys:3534976 {source="Reaxys"} xref: Wikipedia:Sodium_Chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_role CHEBI:149552 ! emetic relationship: has_role CHEBI:79314 ! flame retardant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNa" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.44247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.95862" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Cl-]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26712 name: sodium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sodium compounds" RELATED [ChEBI] synonym: "sodium molecular entities" RELATED [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:26708 ! sodium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26714 name: sodium salt namespace: chebi_ontology def: "Any alkali metal salt having sodium(1+) as the cation." [] subset: 3_STAR synonym: "Natriumsalz" RELATED [ChEBI] synonym: "Natriumsalze" RELATED [ChEBI] synonym: "sodium salts" RELATED [ChEBI] is_a: CHEBI:26712 ! sodium molecular entity is_a: CHEBI:35479 ! alkali metal salt relationship: has_part CHEBI:29101 ! sodium(1+) property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26764 name: steroid hormone namespace: chebi_ontology def: "Any steroid that acts as hormone." [] subset: 3_STAR synonym: "hormona esteroide" RELATED [ChEBI] synonym: "hormonas esteroideas" RELATED [ChEBI] synonym: "hormone steroide" RELATED [ChEBI] synonym: "hormones steroides" RELATED [ChEBI] synonym: "steroid hormones" RELATED [ChEBI] synonym: "Steroidhormon" RELATED [ChEBI] synonym: "Steroidhormone" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_role CHEBI:24621 ! hormone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26766 name: steroid lactone namespace: chebi_ontology subset: 3_STAR synonym: "steroid lactones" RELATED [ChEBI] xref: KEGG:C15507 is_a: CHEBI:25000 ! lactone is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:26775 name: stilbene namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-(1,2-ethenediyl)bis[benzene]" RELATED [] synonym: "1,1'-(1,2-ethenediyl)bisbenzene" RELATED [] synonym: "1,1'-(1,2-ethenediyl)dibenzene" RELATED [] synonym: "1,1'-(ethene-1,2-diyl)dibenzene" EXACT [] synonym: "1,1'-ethene-1,2-diyldibenzene" RELATED [] synonym: "1,2-diphenylethylene" RELATED [] synonym: "alpha,beta-diphenylethylene" RELATED [] synonym: "stilbene" EXACT [] xref: Beilstein:1904445 xref: CAS:588-59-0 xref: Gmelin:67845 xref: Wikipedia:Stilbene is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJANXHGTPQOBST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.24508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])c1ccccc1)c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26776 name: stilbenoid namespace: chebi_ontology def: "Any olefinic compound characterised by a 1,2-diphenylethylene backbone." [] subset: 3_STAR synonym: "stilbenes" RELATED [ChEBI] synonym: "stilbenoids" RELATED [ChEBI] is_a: CHEBI:26775 ! stilbene is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:78840 ! olefinic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26788 name: streptomycins namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22479 ! amino cyclitol glycoside is_a: CHEBI:22507 ! aminoglycoside antibiotic [Term] id: CHEBI:2679 name: amphetamine namespace: chebi_ontology alt_id: CHEBI:51062 def: "A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine." [] subset: 3_STAR synonym: "1-phenyl-2-aminopropane" RELATED [NIST_Chemistry_WebBook] synonym: "1-Phenylpropan-2-amin" RELATED [ChEBI] synonym: "alpha-methylbenzeneethaneamine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-methylphenylethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "amfetamina" RELATED [WHO_MedNet] synonym: "Amfetamine" RELATED [ChemIDplus] synonym: "amfetamine" RELATED INN [WHO_MedNet] synonym: "amfetaminum" RELATED [ChemIDplus] synonym: "amfetaminum" RELATED INN [WHO_MedNet] synonym: "Amphetamin" RELATED [ChEBI] synonym: "Amphetamine" EXACT [KEGG_COMPOUND] synonym: "amphetamine" EXACT [ChEBI] synonym: "amphetamine" EXACT [WHO_MedNet] synonym: "amphetaminium" RELATED [WHO_MedNet] synonym: "anfetamina" RELATED INN [WHO_MedNet] synonym: "Benzedrine" RELATED BRAND_NAME [ChEBI] synonym: "beta-aminopropylbenzene" RELATED [ChemIDplus] synonym: "beta-aminopropylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "beta-Phenylisopropylamin" RELATED [ChemIDplus] synonym: "beta-phenylisopropylamine" RELATED [NIST_Chemistry_WebBook] synonym: "desoxynorephedrine" RELATED [ChemIDplus] synonym: "rac-(2R)-1-phenylpropan-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "rac-amphetamine" RELATED [ChEBI] xref: Beilstein:507867 {source="Beilstein"} xref: CAS:300-62-9 {source="NIST Chemistry WebBook"} xref: CAS:300-62-9 {source="ChemIDplus"} xref: CAS:300-62-9 {source="KEGG COMPOUND"} xref: DrugBank:DB00182 xref: Gmelin:406210 {source="Gmelin"} xref: HMDB:HMDB0014328 xref: KEGG:C07514 xref: KEGG:D07445 xref: PMID:23889359 {source="Europe PMC"} xref: PMID:24408209 {source="Europe PMC"} xref: Reaxys:507867 {source="Reaxys"} xref: Wikipedia:Amphetamine is_a: CHEBI:35338 ! amphetamines is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:42724 ! (R)-amphetamine relationship: has_part CHEBI:4469 ! (S)-amphetamine relationship: has_role CHEBI:35523 ! bronchodilator agent relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.10480" xsd:string [Term] id: CHEBI:26799 name: styrenes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:26816 name: carbohydrate phosphate namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:26819 name: sulfuric ester namespace: chebi_ontology def: "An ester of an alcohol and sulfuric acid." [] subset: 3_STAR synonym: "sulfate ester" RELATED [ChEBI] synonym: "sulfuric acid ester" RELATED [ChEBI] synonym: "sulfuric acid esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester is_a: CHEBI:37826 ! sulfuric acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OS(=O)(=O)O[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26820 name: sulfates namespace: chebi_ontology def: "Salts and esters of sulfuric acid" [] subset: 3_STAR synonym: "sulfates" EXACT [ChEBI] synonym: "sulfuric acid derivative" RELATED [ChEBI] synonym: "sulphates" RELATED [ChEBI] is_a: CHEBI:37826 ! sulfuric acid derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26822 name: sulfide namespace: chebi_ontology def: "Any sulfur molecular entity that involves either covalently bonded or anionic sulfur." [] subset: 3_STAR synonym: "sulphides" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:26823 name: sulfites namespace: chebi_ontology def: "Any sulfurous acid derivative that is a salt or an ester of sulfurous acid." [] subset: 3_STAR synonym: "Sulfite" RELATED [ChEBI] synonym: "sulfito" RELATED [ChEBI] synonym: "sulfitos" RELATED [ChEBI] synonym: "sulphites" RELATED [ChEBI] xref: Wikipedia:Sulfite is_a: CHEBI:39087 ! sulfurous acid derivative [Term] id: CHEBI:26830 name: sulfonium compound namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:26833 name: sulfur atom namespace: chebi_ontology subset: 3_STAR synonym: "16S" RELATED [IUPAC] synonym: "azufre" RELATED [ChEBI] synonym: "Elemental sulfur" RELATED [KEGG_COMPOUND] synonym: "S" RELATED [KEGG_COMPOUND] synonym: "S" RELATED [IUPAC] synonym: "Schwefel" RELATED [ChEBI] synonym: "soufre" RELATED [ChEBI] synonym: "sulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur" RELATED [ChEBI] synonym: "sulfur" RELATED [UniProt] synonym: "sulphur" RELATED [ChEBI] synonym: "theion" RELATED [IUPAC] xref: CAS:7704-34-9 "ChemIDplus" xref: CAS:7704-34-9 {source="ChemIDplus"} xref: CAS:7704-34-9 {source="NIST Chemistry WebBook"} xref: KEGG:C00087 xref: KEGG:D06527 xref: PPDB:605 xref: WebElements:S is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NINIDFKCEFEMDL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S]" xsd:string [Term] id: CHEBI:26834 name: sulfur-containing amino acid namespace: chebi_ontology subset: 3_STAR synonym: "sulfur-containing amino acids" RELATED [ChEBI] is_a: CHEBI:33576 ! sulfur-containing carboxylic acid is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63470 ! sulfur-containing amino-acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26835 name: sulfur molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "sulfur molecular entities" RELATED [ChEBI] synonym: "sulfur molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:26833 ! sulfur atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26836 name: sulfuric acid namespace: chebi_ontology def: "A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator. subset: 3_STAR synonym: "[S(OH)2O2]" RELATED [MolBase] synonym: "[SO2(OH)2]" RELATED [IUPAC] synonym: "Acide sulfurique" RELATED [ChemIDplus] synonym: "Acido sulfurico" RELATED [ChemIDplus] synonym: "Acidum sulfuricum" RELATED [ChemIDplus] synonym: "dihydrogen tetraoxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO4" RELATED [IUPAC] synonym: "hydrogen tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "Schwefelsaeureloesungen" RELATED [ChemIDplus] synonym: "Sulfuric acid" EXACT [KEGG_COMPOUND] synonym: "sulfuric acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulfuric acid" EXACT [ChEBI] synonym: "sulphuric acid" RELATED [MolBase] synonym: "tetraoxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7664-93-9 {source="ChemIDplus"} xref: CAS:7664-93-9 {source="KEGG COMPOUND"} xref: CAS:7664-93-9 {source="NIST Chemistry WebBook"} xref: Codex:\:513 xref: Europe:\:513 xref: Gmelin:2122 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3296 xref: KEGG:C00059 xref: KEGG:D05963 xref: KNApSAcK:C00007530 xref: MolBase:4 xref: PMID:13568755 {source="Europe PMC"} xref: PMID:16122922 {source="Europe PMC"} xref: PMID:19397353 {source="Europe PMC"} xref: PMID:22047659 {source="Europe PMC"} xref: PMID:22136045 {source="Europe PMC"} xref: PMID:22204399 {source="Europe PMC"} xref: PMID:22267186 {source="Europe PMC"} xref: PMID:22296037 {source="Europe PMC"} xref: PMID:22364556 {source="Europe PMC"} xref: PMID:22435616 {source="Europe PMC"} xref: PPDB:606 xref: Reaxys:2037554 {source="Reaxys"} xref: Wikipedia:Sulfuric_acid is_a: CHEBI:33402 ! sulfur oxoacid is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:35223 ! catalyst relationship: is_conjugate_acid_of CHEBI:45696 ! hydrogensulfate property_value: hasSynonym "sulfuric acid" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.07948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS(=O)(=O)O[H]" xsd:string property_value: IAO:0000118 "sulphuric acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26841 name: synthetic auxin namespace: chebi_ontology def: "A synthetic compound exhibiting auxin activity." [] subset: 3_STAR synonym: "synthetic auxins" RELATED [ChEBI] is_a: CHEBI:22676 ! auxin is_a: CHEBI:35703 ! xenobiotic [Term] id: CHEBI:26848 name: tannin namespace: chebi_ontology def: "Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol." [] subset: 3_STAR synonym: "tannins" RELATED [] xref: Wikipedia:Tannin is_a: CHEBI:26195 ! polyphenol property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:26872 name: terpene ketone namespace: chebi_ontology def: "Any terpenoid which contains a keto group." [] subset: 3_STAR is_a: CHEBI:17087 ! ketone is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:26873 name: terpenoid namespace: chebi_ontology def: "Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group." [] subset: 3_STAR synonym: "Terpenoid" EXACT [ChEBI] synonym: "terpenoide" RELATED [IUPAC] synonym: "terpenoides" RELATED [IUPAC] synonym: "terpenoids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Terpenoid is_a: CHEBI:24913 ! isoprenoid is_a: CHEBI:72544 ! flavonoids relationship: has_parent_hydride CHEBI:35186 ! terpene property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26878 name: tertiary alcohol namespace: chebi_ontology def: "A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it." [] subset: 3_STAR synonym: "tertiary alcohol" EXACT [ChEBI] synonym: "tertiary alcohols" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7OR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.09780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.04969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C[*])(C[*])C[*]" xsd:string [Term] id: CHEBI:26888 name: tetrachlorobenzene namespace: chebi_ontology def: "Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions." [] subset: 3_STAR synonym: "Tetrachlorbenzol" RELATED [ChEBI] synonym: "tetrachlorobenzene" EXACT IUPAC_NAME [IUPAC] xref: CAS:12408-10-5 {source="ChemIDplus"} is_a: CHEBI:23132 ! chlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H2Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.892" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.89106" xsd:string [Term] id: CHEBI:26895 name: tetracyclines namespace: chebi_ontology def: "A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups." [] subset: 3_STAR is_a: CHEBI:26188 ! polyketide relationship: has_parent_hydride CHEBI:32600 ! tetracene relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:26907 name: tetrahydrofolic acid namespace: chebi_ontology def: "A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units." [] subset: 3_STAR synonym: "tetrahydrofolate" RELATED [ChEBI] synonym: "tetrahydrofolates" RELATED [ChEBI] synonym: "tetrahydrofolic acids" RELATED [ChEBI] is_a: CHEBI:37445 ! folic acids relationship: is_conjugate_acid_of CHEBI:67016 ! tetrahydrofolate [Term] id: CHEBI:26911 name: oxolane namespace: chebi_ontology def: "A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen." [] subset: 3_STAR synonym: "1,4-epoxybutane" RELATED [ChemIDplus] synonym: "butane alpha,delta-oxide" RELATED [NIST_Chemistry_WebBook] synonym: "butylene oxide" RELATED [UM-BBD] synonym: "furanidine" RELATED [UM-BBD] synonym: "oxolane" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydrofuran" RELATED [IUPAC] synonym: "tetramethylene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "THF" RELATED [ChemIDplus] xref: Beilstein:102391 {source="Beilstein"} xref: CAS:109-99-9 {source="ChemIDplus"} xref: CAS:109-99-9 {source="NIST Chemistry WebBook"} xref: Gmelin:1767 {source="Gmelin"} xref: HMDB:HMDB0000246 xref: PMID:12571688 {source="Europe PMC"} xref: PMID:1811956 {source="Europe PMC"} xref: PMID:1911404 {source="Europe PMC"} xref: PMID:19716170 {source="Europe PMC"} xref: PMID:21316415 {source="Europe PMC"} xref: PMID:21842397 {source="Europe PMC"} xref: PMID:2675957 {source="Europe PMC"} xref: Reaxys:102391 {source="Reaxys"} xref: UM-BBD_compID:c0019 {source="UM-BBD"} xref: Wikipedia:THF is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:26912 ! oxolanes is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37407 ! cyclic ether relationship: has_role CHEBI:48358 ! polar aprotic solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYURNTSHIVDZCO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.10570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCOC1" xsd:string [Term] id: CHEBI:26912 name: oxolanes namespace: chebi_ontology def: "Any oxacycle having an oxolane (tetrahydrofuran) skeleton." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:26921 name: tetrahydropyridine namespace: chebi_ontology subset: 3_STAR synonym: "tetrahydropyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:26932 name: tetrapyrrole namespace: chebi_ontology def: "A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next." [] subset: 3_STAR synonym: "a tetrapyrrole" RELATED [UniProt] synonym: "tetrapyrrole" EXACT IUPAC_NAME [IUPAC] synonym: "tetrapyrroles" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38077 ! polypyrrole [Term] id: CHEBI:26935 name: tetraterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "C40 isoprenoids" RELATED [LIPID_MAPS] synonym: "tetraterpenoides" RELATED [ChEBI] synonym: "tetraterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0107 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid relationship: has_parent_hydride CHEBI:35193 ! tetraterpene property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26948 name: vitamin B1 namespace: chebi_ontology def: "Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms)." [] subset: 3_STAR synonym: "thiamine" RELATED [ChEBI] synonym: "thiamines" RELATED [ChEBI] synonym: "thiamins" RELATED [ChEBI] synonym: "vitamin B1" EXACT [ChEBI] synonym: "vitamin b1" EXACT [] synonym: "vitamin B1 vitamer" RELATED [ChEBI] synonym: "vitamin B1 vitamers" RELATED [ChEBI] synonym: "vitamins B1" RELATED [ChEBI] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3755 xref: PMID:28859374 {source="Europe PMC"} xref: PMID:32554808 {source="Europe PMC"} is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:63048 ! 1,3-thiazolium cation is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:26952 name: thioacetic acid namespace: chebi_ontology subset: 3_STAR synonym: "ethanethioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Thioessigsaeure" RELATED [ChEBI] xref: KEGG:C01857 is_a: CHEBI:35737 ! monothiocarboxylic acid relationship: is_conjugate_acid_of CHEBI:30320 ! thioacetate [Term] id: CHEBI:26959 name: thiocarboxylic ester namespace: chebi_ontology def: "An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur." [] subset: 3_STAR synonym: "thiocarboxylic esters" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:35701 ! ester [Term] id: CHEBI:26961 name: thiophenes namespace: chebi_ontology def: "Compounds containing at least one thiophene ring." [] subset: 3_STAR is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:26979 name: organic heterotricyclic compound namespace: chebi_ontology def: "An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms." [] subset: 3_STAR synonym: "heterotricyclic compounds" RELATED [ChEBI] synonym: "organic heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:36688 ! heterotricyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound is_a: CHEBI:51959 ! organic tricyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27007 name: tin atom namespace: chebi_ontology subset: 3_STAR synonym: "50Sn" RELATED [IUPAC] synonym: "estano" RELATED [ChEBI] synonym: "etain" RELATED [ChEBI] synonym: "Sn" RELATED [IUPAC] synonym: "stannum" RELATED [IUPAC] synonym: "tin" EXACT IUPAC_NAME [IUPAC] synonym: "tin" RELATED [ChEBI] synonym: "Zinn" RELATED [ChemIDplus] xref: CAS:7440-31-5 {source="ChemIDplus"} xref: UM-BBD_compID:c0585 {source="UM-BBD"} xref: WebElements:Sn is_a: CHEBI:33306 ! carbon group element atom is_a: CHEBI:33521 ! metal atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.90220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sn]" xsd:string [Term] id: CHEBI:27008 name: tin molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "tin compounds" RELATED [ChEBI] synonym: "tin molecular entities" RELATED [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:27007 ! tin atom [Term] id: CHEBI:27013 name: tocopherol namespace: chebi_ontology def: "A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain." [] subset: 3_STAR synonym: "Methyltocols" RELATED [ChemIDplus] synonym: "tocoferol" RELATED [ChEBI] synonym: "tocoferoles" RELATED [ChEBI] synonym: "Tocopherol" EXACT [ChemIDplus] synonym: "tocopherol" EXACT [ChEBI] synonym: "Tocopherols" RELATED [ChemIDplus] synonym: "tocopherols" RELATED [ChEBI] xref: CAS:1406-66-2 {source="ChemIDplus"} xref: Wikipedia:Tocopherol is_a: CHEBI:33234 ! vitamin E is_a: CHEBI:39437 ! tocol property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27021 name: toluate namespace: chebi_ontology subset: 3_STAR synonym: "toluates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates [Term] id: CHEBI:27024 name: toluenes namespace: chebi_ontology def: "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes [Term] id: CHEBI:27026 name: toxin namespace: chebi_ontology def: "Poisonous substance produced by a biological organism such as a microbe, animal or plant." [] subset: 3_STAR synonym: "toxin" EXACT IUPAC_NAME [IUPAC] synonym: "toxins" RELATED [ChEBI] xref: Wikipedia:Toxin is_a: CHEBI:25212 ! metabolite is_a: CHEBI:64909 ! poison [Term] id: CHEBI:27027 name: micronutrient namespace: chebi_ontology def: "Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions." [] subset: 3_STAR synonym: "micronutrients" RELATED [ChEBI] synonym: "trace elements" RELATED [ChEBI] xref: Wikipedia:Micronutrient is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:27081 name: transition element atom namespace: chebi_ontology def: "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell." [] subset: 3_STAR synonym: "metal de transicion" RELATED [ChEBI] synonym: "metal de transition" RELATED [ChEBI] synonym: "metales de transicion" RELATED [ChEBI] synonym: "metaux de transition" RELATED [ChEBI] synonym: "transition element" EXACT IUPAC_NAME [IUPAC] synonym: "transition element" RELATED [ChEBI] synonym: "transition elements" RELATED [ChEBI] synonym: "transition metal" RELATED [ChEBI] synonym: "transition metals" RELATED [ChEBI] synonym: "Uebergangselement" RELATED [ChEBI] synonym: "Uebergangsmetalle" RELATED [ChEBI] is_a: CHEBI:33521 ! metal atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27082 name: trehalose namespace: chebi_ontology def: "A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose." [] subset: 3_STAR is_a: CHEBI:131401 ! hexopyranosyl hexopyranoside property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HDTRYLNUVZCQOY-MFAKQEFJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1OC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:27084 name: trehalose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "trehalose phosphates" RELATED [ChEBI] is_a: CHEBI:23843 ! disaccharide phosphate [Term] id: CHEBI:27086 name: tributylstannane namespace: chebi_ontology subset: 3_STAR synonym: "[Sn(Bu)3H]" RELATED [ChEBI] synonym: "SnBu3H" RELATED [IUPAC] synonym: "TBT" RELATED [UM-BBD] synonym: "Tri-n-butyltin" RELATED [UM-BBD] synonym: "Tri-n-butyltin hydride" RELATED [NIST_Chemistry_WebBook] synonym: "tributylstannane" EXACT IUPAC_NAME [IUPAC] synonym: "Tributyltin" RELATED [ChemIDplus] xref: Beilstein:3587329 {source="Beilstein"} xref: CAS:688-73-3 {source="NIST Chemistry WebBook"} xref: CAS:688-73-3 {source="ChemIDplus"} xref: Gmelin:4258 {source="Gmelin"} xref: UM-BBD_compID:c0579 {source="UM-BBD"} is_a: CHEBI:25717 ! organotin compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H28Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DBGVGMSCBYYSLD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.06072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.12130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Sn](CCCC)(CCCC)CCCC" xsd:string [Term] id: CHEBI:27090 name: triaziquone namespace: chebi_ontology def: "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups." [] subset: 3_STAR synonym: "1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine" RELATED [ChemIDplus] synonym: "2,3,5-Ethylenimine-1,4-benzoquinone" RELATED [NIST_Chemistry_WebBook] synonym: "2,3,5-Tri(1-aziridinyl)-p-benzoquinone" RELATED [NIST_Chemistry_WebBook] synonym: "2,3,5-Tri-(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Triethyleneimino-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(1-aziridino)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione" RELATED [NIST_Chemistry_WebBook] synonym: "2,3,5-Tris(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,5-Tris(aziridino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethyleneimino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethylenimino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethylenimino)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethylenimino)benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Trisethyleneiminobenzoquinone" RELATED [ChemIDplus] synonym: "Triazichon" RELATED [ChemIDplus] synonym: "triazicuona" RELATED INN [ChemIDplus] synonym: "triaziquone" RELATED INN [WHO_MedNet] synonym: "triaziquone" RELATED INN [KEGG_DRUG] synonym: "Triaziquonum" RELATED INN [ChemIDplus] synonym: "Triethyleneaminobenzoquinone" RELATED [ChemIDplus] synonym: "Tris(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] synonym: "Tris(aziridinyl)-p-benzoquinone" RELATED [NIST_Chemistry_WebBook] synonym: "Tris(aziridinyl)-para-benzoquinone" RELATED [KEGG_COMPOUND] synonym: "Tris(ethyleneimino)benzoquinone" RELATED [ChemIDplus] xref: CAS:68-76-8 {source="ChemIDplus"} xref: CAS:68-76-8 {source="NIST Chemistry WebBook"} xref: CAS:68-76-8 {source="KEGG COMPOUND"} xref: Drug_Central:4372 {source="DrugCentral"} xref: KEGG:C19542 xref: KEGG:D07254 xref: PMID:146335 {source="Europe PMC"} xref: PMID:20371239 {source="Europe PMC"} xref: PMID:362189 {source="Europe PMC"} xref: PMID:3672382 {source="Europe PMC"} xref: PMID:582920 {source="Europe PMC"} xref: PMID:624547 {source="Europe PMC"} xref: PMID:74416 {source="Europe PMC"} xref: Reaxys:238057 {source="Reaxys"} xref: Wikipedia:Triaziquone is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:22681 ! aziridines relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXSOHRWMIRDKMP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "231.25050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.10078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1" xsd:string [Term] id: CHEBI:27092 name: tricarboxylic acid trianion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylate" RELATED [ChEBI] synonym: "tricarboxylates" RELATED [ChEBI] synonym: "tricarboxylic acid trianions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion is_a: CHEBI:38717 ! carboxylic acid trianion [Term] id: CHEBI:27093 name: tricarboxylic acid namespace: chebi_ontology def: "An oxoacid containing three carboxy groups." [] subset: 3_STAR synonym: "Tricarbonsaeure" RELATED [ChEBI] synonym: "tricarboxylic acids" RELATED [ChEBI] synonym: "Trikarbonsaeure" RELATED [ChEBI] xref: Wikipedia:Tricarboxylic_acid is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35753 ! tricarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3O6R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.99296" xsd:string [Term] id: CHEBI:27096 name: trichlorobenzene namespace: chebi_ontology def: "Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions." [] subset: 3_STAR synonym: "Trichlorbenzol" RELATED [ChEBI] synonym: "trichlorobenzene" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Trichlorobenzene is_a: CHEBI:23132 ! chlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.93003" xsd:string [Term] id: CHEBI:27102 name: trichlorophenol namespace: chebi_ontology def: "Any one of the six possible isomers of trichlorophenol." [] subset: 3_STAR xref: Wikipedia:Trichlorophenol is_a: CHEBI:15258 ! trichlorophenols [Term] id: CHEBI:27131 name: trimethylarsine oxide namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)3As=O" RELATED [IUPAC] synonym: "trimethylarsane oxide" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylarsine oxide" EXACT [UM-BBD] xref: Beilstein:1734788 {source="Beilstein"} xref: CAS:4964-14-1 {source="ChemIDplus"} xref: CAS:4964-14-1 {source="NIST Chemistry WebBook"} xref: Gmelin:164299 {source="Gmelin"} xref: UM-BBD_compID:c0754 {source="UM-BBD"} is_a: CHEBI:35843 ! arsine oxides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9AsO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9AsO/c1-4(2,3)5/h1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWOWJQPAYGEFFK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.02456" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.98693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As](C)(C)=O" xsd:string [Term] id: CHEBI:27134 name: trimethylxanthine namespace: chebi_ontology subset: 3_STAR synonym: "trimethylxanthines" RELATED [ChEBI] is_a: CHEBI:25348 ! methylxanthine property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27135 name: trinitrotoluene namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25566 ! nitrotoluene [Term] id: CHEBI:27136 name: triol namespace: chebi_ontology def: "A chemical compound containing three hydroxy groups." [] subset: 3_STAR synonym: "triols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:27150 name: trisaccharide namespace: chebi_ontology subset: 3_STAR synonym: "trisaccharides" RELATED [ChEBI] xref: Wikipedia:Trisaccharide is_a: CHEBI:50699 ! oligosaccharide [Term] id: CHEBI:27153 name: monoatomic trication namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic trications" RELATED [ChEBI] synonym: "trivalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:25430 ! monoatomic polycation is_a: CHEBI:64712 ! trivalent inorganic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*+3]" xsd:string [Term] id: CHEBI:27162 name: tryptamines namespace: chebi_ontology def: "Tryptamine and its substitution derivatives." [] subset: 3_STAR is_a: CHEBI:24828 ! indoles property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27171 name: organic heterobicyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterobicyclic compounds" RELATED [ChEBI] synonym: "organic heterobicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33672 ! heterobicyclic compound is_a: CHEBI:38166 ! organic heteropolycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27177 name: L-tyrosine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-tyrosine by a heteroatom." [] subset: 3_STAR synonym: "L-tyrosine derivatives" RELATED [ChEBI] is_a: CHEBI:62761 ! tyrosine derivative is_a: CHEBI:84144 ! L-phenylalanine derivative relationship: has_functional_parent CHEBI:17895 ! L-tyrosine [Term] id: CHEBI:27207 name: univalent carboacyl group namespace: chebi_ontology def: "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "univalent acyl group" RELATED [ChEBI] synonym: "univalent carboacyl groups" RELATED [ChEBI] synonym: "univalent carboxylic acyl groups" RELATED [ChEBI] is_a: CHEBI:37838 ! carboacyl group [Term] id: CHEBI:27208 name: unsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one C=C or C#C bond." [] subset: 3_STAR synonym: "alkene acid" RELATED [ChEBI] synonym: "olefinic acid" RELATED [ChEBI] synonym: "unsaturated fatty acids" RELATED [LIPID_MAPS] synonym: "unsaturated fatty acids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMFA0103 {source="LIPID MAPS"} xref: PMID:5322381 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:2580 ! unsaturated fatty acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27266 name: valine namespace: chebi_ontology def: "A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group." [] subset: 3_STAR synonym: "2-amino-3-methylbutanoic acid" RELATED [IUPAC] synonym: "DL-valine" RELATED [ChEBI] synonym: "Hval" RELATED [IUPAC] synonym: "Valin" RELATED [ChEBI] synonym: "valina" RELATED [ChEBI] synonym: "valine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506689 {source="Beilstein"} xref: CAS:516-06-3 {source="ChemIDplus"} xref: CAS:516-06-3 {source="NIST Chemistry WebBook"} xref: CAS:516-06-3 {source="KEGG COMPOUND"} xref: Gmelin:49877 {source="Gmelin"} xref: KEGG:C16436 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:506689 {source="Reaxys"} xref: Wikipedia:Valine is_a: CHEBI:22918 ! branched-chain amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:30353 ! isopropyl group relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32859 ! valinate relationship: is_conjugate_base_of CHEBI:32860 ! valinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(N)C(O)=O" xsd:string [Term] id: CHEBI:27267 name: valine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of valine by a heteroatom. The definition normally excludes peptides containing valine residues." [] subset: 3_STAR is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:27266 ! valine [Term] id: CHEBI:27273 name: vanadic acid namespace: chebi_ontology subset: 3_STAR synonym: "[VO(OH)3]" RELATED [IUPAC] synonym: "H3VO4" RELATED [IUPAC] synonym: "trihydrogen(tetraoxidovanadate)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidooxidovanadium" EXACT IUPAC_NAME [IUPAC] synonym: "Vanadiumsaeure" RELATED [ChEBI] xref: Gmelin:82029 {source="Gmelin"} is_a: CHEBI:35166 ! vanadium coordination entity is_a: CHEBI:36265 ! transition element oxoacid relationship: is_conjugate_acid_of CHEBI:35169 ! dihydrogenvanadate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQEVDHBJGNOKKO-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.96292" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.94709" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[V](=O)(O[H])O[H]" xsd:string [Term] id: CHEBI:27275 name: vanadium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "vanadium compounds" RELATED [ChEBI] synonym: "vanadium molecular entities" RELATED [ChEBI] synonym: "vanadium molecular entity" EXACT [ChEBI] is_a: CHEBI:33746 ! vanadium group molecular entity relationship: has_part CHEBI:27698 ! vanadium atom [Term] id: CHEBI:27283 name: very long-chain fatty acid namespace: chebi_ontology def: "A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids." [] subset: 3_STAR synonym: "higher fatty acid" RELATED [ChEBI] synonym: "very long-chain fatty acids" RELATED [ChEBI] synonym: "VLCFA" RELATED [ChEBI] synonym: "VLCFAs" RELATED [ChEBI] xref: LIPID_MAPS_instance:LMFA01010025 {source="LIPID MAPS"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58950 ! very long-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:27300 name: vitamin D namespace: chebi_ontology def: "Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body." [] subset: 3_STAR synonym: "D vitamins" RELATED [ChEBI] synonym: "vitamin D vitamer" RELATED [ChEBI] synonym: "vitamin D vitamers" RELATED [ChEBI] synonym: "vitamin Ds" RELATED [ChEBI] synonym: "vitamins D" RELATED [ChEBI] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3752 xref: MetaCyc:Vitamin-D xref: Wikipedia:Vitamin_D is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:36853 ! hydroxy seco-steroid is_a: FOODON:03413751 ! food supplements, vitamin substances (ec) relationship: has_role CHEBI:24020 ! fat-soluble vitamin (role) property_value: IAO:0000118 "vitamin d" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27306 name: vitamin B6 namespace: chebi_ontology def: "Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-6" RELATED [JCBN] synonym: "Vitamin B6" EXACT [ChEBI] synonym: "vitamin B6 vitamer" RELATED [ChEBI] synonym: "vitamin B6 vitamers" RELATED [ChEBI] synonym: "vitamina B6" RELATED [ChEBI] synonym: "vitamine B6" RELATED [ChEBI] synonym: "vitamins B6" RELATED [ChEBI] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3759 is_a: CHEBI:26421 ! pyridines is_a: CHEBI:75769 ! B vitamin property_value: IAO:0000118 "vitamin b6" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27311 name: volatile oil component namespace: chebi_ontology def: "Any plant metabolite that is found naturally as a component of a volatile oil." [] subset: 3_STAR synonym: "essential oil component" RELATED [ChEBI] synonym: "essential oil components" RELATED [ChEBI] synonym: "ethereal oil component" RELATED [ChEBI] synonym: "ethereal oil components" RELATED [ChEBI] synonym: "volatile oil components" RELATED [ChEBI] xref: Wikipedia:Essential_oil is_a: CHEBI:76924 ! plant metabolite [Term] id: CHEBI:27314 name: water-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine." [] subset: 3_STAR synonym: "wasserloesliche Vitamine" RELATED [ChEBI] synonym: "water-soluble vitamin" RELATED [ChEBI] synonym: "water-soluble vitamins" RELATED [ChEBI] is_a: CHEBI:33229 ! vitamin (role) [Term] id: CHEBI:27338 name: xylene namespace: chebi_ontology subset: 3_STAR synonym: "dimethylbenzene" RELATED [IUPAC] synonym: "Dimethylbenzol" RELATED [ChEBI] synonym: "methyl toluene" RELATED [ChemIDplus] synonym: "methyltoluene" RELATED [ChemIDplus] synonym: "xileno" RELATED [ChEBI] synonym: "xilenos" RELATED [ChEBI] synonym: "xylene" EXACT IUPAC_NAME [IUPAC] synonym: "xylene" EXACT [ChEBI] synonym: "xylenes" RELATED [ChemIDplus] synonym: "Xylol" RELATED [ChemIDplus] synonym: "Xylole" RELATED [ChemIDplus] xref: CAS:1330-20-7 {source="ChemIDplus"} xref: CAS:1330-20-7 {source="KEGG COMPOUND"} xref: KEGG:C19551 xref: Wikipedia:Xylene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:38975 ! methylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.07825" xsd:string [Term] id: CHEBI:27358 name: yohimban alkaloid namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:65323 ! monoterpenoid indole alkaloid [Term] id: CHEBI:27363 name: zinc atom namespace: chebi_ontology subset: 3_STAR synonym: "30Zn" RELATED [IUPAC] synonym: "cinc" RELATED [ChEBI] synonym: "zinc" EXACT IUPAC_NAME [IUPAC] synonym: "zinc" RELATED [ChEBI] synonym: "zincum" RELATED [ChEBI] synonym: "Zink" RELATED [ChEBI] synonym: "Zn" RELATED [IUPAC] synonym: "Zn(II)" RELATED [KEGG_COMPOUND] synonym: "Zn2+" RELATED [KEGG_COMPOUND] xref: CAS:7440-66-6 {source="ChemIDplus"} xref: CAS:7440-66-6 {source="KEGG COMPOUND"} xref: Gmelin:16321 {source="Gmelin"} xref: KEGG:C00038 xref: PDBeChem:ZN xref: WebElements:Zn is_a: CHEBI:33340 ! zinc group element atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCHKCACWOHOZIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.39000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.92914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27364 name: zinc molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc compounds" RELATED [ChEBI] synonym: "zinc molecular entities" RELATED [ChEBI] is_a: CHEBI:33673 ! zinc group molecular entity relationship: has_part CHEBI:27363 ! zinc atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27365 name: zinc ion namespace: chebi_ontology subset: 3_STAR synonym: "zinc ion" EXACT [ChEBI] synonym: "zinc ions" RELATED [ChEBI] is_a: CHEBI:24867 ! monoatomic ion is_a: CHEBI:37253 ! elemental zinc [Term] id: CHEBI:27369 name: zwitterion namespace: chebi_ontology def: "A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer)." [] subset: 3_STAR synonym: "compose zwitterionique" RELATED [IUPAC] synonym: "compuestos zwitterionicos" RELATED [IUPAC] synonym: "zwitterion" EXACT IUPAC_NAME [IUPAC] synonym: "zwitteriones" RELATED [IUPAC] synonym: "zwitterionic compounds" RELATED [IUPAC] synonym: "zwitterions" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51151 ! dipolar compound [Term] id: CHEBI:27376 name: methanesulfonic acid namespace: chebi_ontology alt_id: CHEBI:6813 def: "An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl." [] subset: 3_STAR synonym: "Methanesulfonic acid" EXACT [KEGG_COMPOUND] synonym: "methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Methansulfonsaeure" RELATED [ChEBI] synonym: "methylsulfonic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1446024 {source="Beilstein"} xref: CAS:75-75-2 {source="KEGG COMPOUND"} xref: CAS:75-75-2 {source="ChemIDplus"} xref: CAS:75-75-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1681 {source="Gmelin"} xref: KEGG:C11145 xref: MetaCyc:CPD-3746 xref: PMID:24304088 {source="Europe PMC"} xref: PMID:24593036 {source="Europe PMC"} xref: Reaxys:1446024 {source="Reaxys"} xref: Wikipedia:Methanesulfonic_acid is_a: CHEBI:47901 ! alkanesulfonic acid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:25224 ! methanesulfonate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFVFQIVMOAPDHO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.10666" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.98812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(O)(=O)=O" xsd:string [Term] id: CHEBI:27385 name: tetrachloromethane namespace: chebi_ontology alt_id: CHEBI:23015 alt_id: CHEBI:3400 def: "A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups." [] subset: 3_STAR synonym: "Carbon tetrachloride" RELATED [KEGG_COMPOUND] synonym: "CCl4" RELATED [IUPAC] synonym: "Kohlenstofftetrachlorid" RELATED [ChEBI] synonym: "Tetra" RELATED [ChEBI] synonym: "tetrachloridocarbon" RELATED [IUPAC] synonym: "Tetrachlorkohlenstoff" RELATED [ChEBI] synonym: "Tetrachlormethan" RELATED [NIST_Chemistry_WebBook] synonym: "Tetrachloromethane" EXACT [KEGG_COMPOUND] synonym: "tetrachloromethane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1098295 {source="Beilstein"} xref: CAS:56-23-5 {source="ChemIDplus"} xref: CAS:56-23-5 {source="NIST Chemistry WebBook"} xref: CAS:56-23-5 {source="KEGG COMPOUND"} xref: Drug_Central:3067 {source="DrugCentral"} xref: Gmelin:2347 {source="Gmelin"} xref: HMDB:HMDB0031330 xref: KEGG:C07561 xref: LINCS:LSM-37019 xref: PMID:24395137 {source="Europe PMC"} xref: PMID:24726765 {source="Europe PMC"} xref: PPDB:1350 xref: Reaxys:1098295 {source="Reaxys"} xref: UM-BBD_compID:c0486 {source="UM-BBD"} xref: Wikipedia:Carbon_Tetrachloride is_a: CHEBI:23148 ! chloromethanes is_a: CHEBI:39226 ! chlorocarbon relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl4/c2-1(3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZGDMQKNWNREIO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.82300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.87541" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:27405 name: streptidine namespace: chebi_ontology alt_id: CHEBI:26781 alt_id: CHEBI:9280 def: "An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups." [] subset: 3_STAR synonym: "1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine" RELATED [ChemIDplus] synonym: "1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-diguanidino-2,4,5,6-cyclohexanetetrol" RELATED [ChEBI] synonym: "N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-bis(aminoiminomethyl)streptamine" RELATED [ChEBI] synonym: "N,N'-diamidinostreptamine" RELATED [ChEBI] synonym: "Streptamine, N,N'-bis(aminoiminomethyl)-" RELATED [ChemIDplus] synonym: "streptidin" RELATED [ChemIDplus] synonym: "Streptidine" EXACT [KEGG_COMPOUND] xref: CAS:85-17-6 {source="ChemIDplus"} xref: CAS:85-17-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0258506 xref: KEGG:C00837 xref: MetaCyc:CPD-10148 xref: PMID:11642734 {source="Europe PMC"} xref: PMID:15736038 {source="Europe PMC"} xref: PMID:16956741 {source="Europe PMC"} xref: PMID:17011831 {source="Europe PMC"} xref: PMID:17609790 {source="Europe PMC"} xref: PMID:6076630 {source="Europe PMC"} xref: Reaxys:2816623 {source="Reaxys"} is_a: CHEBI:24436 ! guanidines is_a: CHEBI:61689 ! amino cyclitol relationship: has_functional_parent CHEBI:10642 ! scyllo-inositol relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_base_of CHEBI:184376 ! streptidine(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18N6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MSXMXWJPFIDEMT-FAEUDGQSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "262.26630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.13895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](NC(N)=N)[C@@H]1O" xsd:string [Term] id: CHEBI:27417 name: p-xylene namespace: chebi_ontology alt_id: CHEBI:10633 alt_id: CHEBI:25832 alt_id: CHEBI:45248 def: "A xylene with methyl groups at positions 1 and 4." [] subset: 3_STAR synonym: "1,4-Dimethylbenzene" RELATED [KEGG_COMPOUND] synonym: "1,4-Dimethylbenzol" RELATED [ChEBI] synonym: "1,4-xylene" EXACT IUPAC_NAME [IUPAC] synonym: "4-methyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "4-xylene" RELATED [ChemIDplus] synonym: "p-dimethylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "p-Methyltoluene" RELATED [KEGG_COMPOUND] synonym: "p-Xylene" EXACT [KEGG_COMPOUND] synonym: "p-xylene" EXACT [UniProt] synonym: "p-Xylol" RELATED [NIST_Chemistry_WebBook] synonym: "PARA-XYLENE" RELATED [PDBeChem] synonym: "para-xylene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1901563 {source="Beilstein"} xref: CAS:106-42-3 {source="NIST Chemistry WebBook"} xref: CAS:106-42-3 {source="ChemIDplus"} xref: CAS:106-42-3 {source="KEGG COMPOUND"} xref: DrugBank:DB03463 xref: Gmelin:2697 {source="Gmelin"} xref: HMDB:HMDB0059924 xref: KEGG:C06756 xref: MetaCyc:CPD-1422 xref: PDBeChem:PXY xref: PMID:23316419 {source="Europe PMC"} xref: PMID:24028095 {source="Europe PMC"} xref: Reaxys:1901563 {source="Reaxys"} xref: UM-BBD_compID:c0083 {source="UM-BBD"} xref: Wikipedia:P-Xylene is_a: CHEBI:27338 ! xylene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "URLKBWYHVLBVBO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.16500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(C)cc1" xsd:string [Term] id: CHEBI:27452 name: styrene namespace: chebi_ontology alt_id: CHEBI:26796 alt_id: CHEBI:9296 def: "A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species." [] subset: 3_STAR synonym: "ethenylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "phenylethene" RELATED [NIST_Chemistry_WebBook] synonym: "Phenylethylene" RELATED [KEGG_COMPOUND] synonym: "Styren" RELATED [NIST_Chemistry_WebBook] synonym: "Styrene" EXACT [KEGG_COMPOUND] synonym: "styrene" EXACT [UniProt] synonym: "styrene" EXACT IUPAC_NAME [IUPAC] synonym: "Styrol" RELATED [NIST_Chemistry_WebBook] synonym: "vinylbenzene" RELATED [ChEBI] xref: Beilstein:1071236 {source="Beilstein"} xref: CAS:100-42-5 {source="ChemIDplus"} xref: CAS:100-42-5 {source="NIST Chemistry WebBook"} xref: CAS:100-42-5 {source="KEGG COMPOUND"} xref: Gmelin:2991 {source="Gmelin"} xref: HMDB:HMDB0034240 xref: KEGG:C07083 xref: MetaCyc:CPD-1092 xref: PMID:11934013 {source="Europe PMC"} xref: PMID:24320693 {source="Europe PMC"} xref: Reaxys:1071236 {source="Reaxys"} xref: UM-BBD_compID:c0115 {source="UM-BBD"} xref: Wikipedia:Styrene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:26799 ! styrenes is_a: CHEBI:51324 ! vinylarene relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PPBRXRYQALVLMV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.14912" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=Cc1ccccc1" xsd:string [Term] id: CHEBI:27454 name: 1-chloro-2,2-bis(4'-chlorophenyl)ethylene namespace: chebi_ontology alt_id: CHEBI:19035 alt_id: CHEBI:619 def: "A chlorophenylethylene that is chloroethene in which the methylene hydrogens are replaced by 4-chlorophenyl groups." [] subset: 3_STAR synonym: "1,1-bis(4-chlorophenyl)-2-chloroethylene" RELATED [ChEBI] synonym: "1,1-Bis(p-chlorophenyl)-2-chloroethene" RELATED [ChemIDplus] synonym: "1,1-Bis(p-chlorophenyl)-2-chloroethylene" RELATED [ChemIDplus] synonym: "1-Chloro-2,2-bis(4'-chlorophenyl)ethylene" EXACT [KEGG_COMPOUND] synonym: "1-Chloro-2,2-bis(p-chlorophenyl)ethylene" RELATED [ChemIDplus] synonym: "2,2-Bis(4-chlorophenyl)-1-chloroethylene" RELATED [ChemIDplus] synonym: "2,2-Bis(p-chlorophenyl)-1-chloroethylene" RELATED [ChemIDplus] synonym: "4,4'-DDMU" RELATED [ChEBI] synonym: "DDMU" RELATED [KEGG_COMPOUND] xref: Beilstein:1461623 {source="Beilstein"} xref: CAS:1022-22-6 {source="ChemIDplus"} xref: CAS:1022-22-6 {source="KEGG COMPOUND"} xref: KEGG:C06637 xref: PMID:21792584 {source="Europe PMC"} xref: PMID:23146667 {source="Europe PMC"} xref: Reaxys:1461623 {source="Reaxys"} xref: UM-BBD_compID:c0430 {source="UM-BBD"} is_a: CHEBI:23155 ! chlorophenylethylene is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H9Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LNKQQZFLNUVWQQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.58000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.97698" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:27455 name: trichloroacetate namespace: chebi_ontology alt_id: CHEBI:27094 def: "A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of trichloroacetic acid." [] subset: 3_STAR synonym: "2,2,2-trichloroacetate" RELATED [ChEBI] synonym: "trichloroacetate" EXACT IUPAC_NAME [IUPAC] synonym: "trichloroacetate anion" RELATED [ChEBI] synonym: "trichloroacetate(1-)" RELATED [ChemIDplus] synonym: "trichloroacetic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:3588433 {source="Beilstein"} xref: CAS:14357-05-2 {source="ChemIDplus"} xref: Gmelin:200855 {source="Gmelin"} xref: MetaCyc:CPD-9675 xref: Reaxys:3588433 {source="Reaxys"} xref: UM-BBD_compID:c0016 {source="UM-BBD"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: is_conjugate_base_of CHEBI:30956 ! trichloroacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNJBWRMUSHSURL-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.37830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "160.89694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:27470 name: folic acid namespace: chebi_ontology alt_id: CHEBI:24075 alt_id: CHEBI:42610 alt_id: CHEBI:5140 alt_id: CHEBI:569217 def: "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation." [] comment: LanguaL curation note: Used when folic acid is added at any level. Always use this term for enriched flour or rice, enriched bakery products, and enriched macaroni or noodle products. (21 CFR 137. 610(a), 21 CFR 136.115(a)(1), and others). subset: 3_STAR synonym: "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid" RELATED [IUPAC] synonym: "Acfol" RELATED BRAND_NAME [ChemIDplus] synonym: "acide folique" RELATED INN [WHO_MedNet] synonym: "acido folico" RELATED INN [WHO_MedNet] synonym: "acidum folicum" RELATED INN [WHO_MedNet] synonym: "b9 folate" RELATED [] synonym: "Folate" RELATED [KEGG_COMPOUND] synonym: "folic acid" RELATED INN [WHO_MedNet] synonym: "Folicet" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Folsaeure" RELATED [ChEBI] synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid" RELATED [PDBeChem] synonym: "N-pteroyl-L-glutamic acid" RELATED [ChEBI] synonym: "PGA" RELATED [NIST_Chemistry_WebBook] synonym: "PteGlu" RELATED [NIST_Chemistry_WebBook] synonym: "pteroyl-L-glutamic acid" RELATED [ChemIDplus] synonym: "pteroyl-L-monoglutamic acid" RELATED [ChemIDplus] synonym: "pteroylglutamic acid" RELATED [KEGG_COMPOUND] synonym: "pteroylmonoglutamic acid" RELATED [ChemIDplus] synonym: "vitamin B11" RELATED [ChemIDplus] synonym: "vitamin B9" RELATED [ChemIDplus] synonym: "vitamin Bc" RELATED [ChemIDplus] synonym: "vitamin Be" RELATED [ChemIDplus] synonym: "vitamin M" RELATED [ChemIDplus] xref: AGR:IND606960789 {source="Europe PMC"} xref: Beilstein:100781 {source="Beilstein"} xref: CAS:59-30-3 {source="KEGG COMPOUND"} xref: CAS:59-30-3 {source="NIST Chemistry WebBook"} xref: CAS:59-30-3 {source="ChemIDplus"} xref: Chemspider:5815 xref: Drug_Central:1231 {source="DrugCentral"} xref: DrugBank:DB00158 xref: FooDB:FDB014504 xref: HMDB:HMDB0000121 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3760 xref: KEGG:C00504 xref: KEGG:D00070 xref: KNApSAcK:C00001539 xref: LINCS:LSM-5355 xref: MetaCyc:CPD-12826 xref: PDBeChem:FOL xref: PMID:10138938 {source="Europe PMC"} xref: PMID:10897644 {source="Europe PMC"} xref: PMID:10958818 {source="Europe PMC"} xref: PMID:11261364 {source="Europe PMC"} xref: PMID:11451208 {source="Europe PMC"} xref: PMID:11959400 {source="Europe PMC"} xref: PMID:14387833 {source="Europe PMC"} xref: PMID:15321809 {source="Europe PMC"} xref: PMID:15523939 {source="Europe PMC"} xref: PMID:15754725 {source="Europe PMC"} xref: PMID:15797531 {source="Europe PMC"} xref: PMID:15797685 {source="Europe PMC"} xref: PMID:15831910 {source="Europe PMC"} xref: PMID:15990733 {source="Europe PMC"} xref: PMID:16093404 {source="Europe PMC"} xref: PMID:16277678 {source="Europe PMC"} xref: PMID:16380297 {source="Europe PMC"} xref: PMID:16871332 {source="Europe PMC"} xref: PMID:17784727 {source="Europe PMC"} xref: PMID:18788725 {source="ChEMBL"} xref: PMID:19121630 {source="Europe PMC"} xref: PMID:19335717 {source="Europe PMC"} xref: PMID:19355913 {source="Europe PMC"} xref: PMID:24650098 {source="Europe PMC"} xref: PMID:33624660 {source="Europe PMC"} xref: PMID:33965562 {source="Europe PMC"} xref: PMID:33968971 {source="Europe PMC"} xref: PMID:34207319 {source="Europe PMC"} xref: PMID:34219855 {source="Europe PMC"} xref: PMID:7738698 {source="Europe PMC"} xref: PMID:8235383 {source="Europe PMC"} xref: PMID:9040515 {source="Europe PMC"} xref: PMID:9420019 {source="Europe PMC"} xref: PMID:9565830 {source="Europe PMC"} xref: PMID:9683174 {source="Europe PMC"} xref: PMID:9781393 {source="Europe PMC"} xref: PMID:9808640 {source="Europe PMC"} xref: PMID:9808641 {source="Europe PMC"} xref: Reaxys:100781 {source="Reaxys"} xref: Wikipedia:Folic_Acid is_a: CHEBI:37445 ! folic acids is_a: CHEBI:51569 ! N-acyl-amino acid relationship: has_functional_parent CHEBI:38794 ! pteroic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:62501 ! folate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H19N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "441.39750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "441.13968" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1" xsd:string property_value: IAO:0000118 "folic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27477 name: D-valine namespace: chebi_ontology alt_id: CHEBI:21112 alt_id: CHEBI:4261 def: "The D-enantiomer of valine." [] subset: 3_STAR synonym: "(2R)-2-amino-3-methylbutanoic acid" RELATED [IUPAC] synonym: "(R)-2-Amino-3-methylbutyric acid" RELATED [KEGG_COMPOUND] synonym: "(R)-valine" RELATED [NIST_Chemistry_WebBook] synonym: "D-Valin" RELATED [ChEBI] synonym: "D-Valine" EXACT [KEGG_COMPOUND] synonym: "D-valine" EXACT IUPAC_NAME [IUPAC] synonym: "DVA" RELATED [PDBeChem] xref: Beilstein:1721135 {source="Beilstein"} xref: CAS:640-68-6 {source="NIST Chemistry WebBook"} xref: CAS:640-68-6 {source="KEGG COMPOUND"} xref: CAS:640-68-6 {source="ChemIDplus"} xref: Gmelin:82413 {source="Gmelin"} xref: KEGG:C06417 xref: MetaCyc:CPD-3642 xref: PDBeChem:DVA xref: PMID:13465080 {source="Europe PMC"} xref: PMID:23085840 {source="Europe PMC"} xref: PMID:236834 {source="Europe PMC"} xref: PMID:7118128 {source="Europe PMC"} xref: Reaxys:1721135 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:27266 ! valine relationship: is_conjugate_acid_of CHEBI:32855 ! D-valinate relationship: is_conjugate_base_of CHEBI:32856 ! D-valinium relationship: is_enantiomer_of CHEBI:16414 ! L-valine relationship: is_tautomer_of CHEBI:74338 ! D-valine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@@H](N)C(O)=O" xsd:string [Term] id: CHEBI:27496 name: simazine namespace: chebi_ontology alt_id: CHEBI:26679 alt_id: CHEBI:9146 def: "A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6." [] subset: 3_STAR synonym: "2,4-bis(ethylamino)-6-chloro-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-bis(ethylamino)-6-chloro-s-triazine" RELATED [ChemIDplus] synonym: "2-chloro-4,6-bis(ethylamino)-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-chloro-4,6-bis(ethylamino)-s-triazine" RELATED [ChemIDplus] synonym: "6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine" RELATED [ChemIDplus] synonym: "6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "Gesatop" RELATED [ChemIDplus] synonym: "Princep" RELATED [ChemIDplus] synonym: "Simanex" RELATED [ChemIDplus] synonym: "Simazine" EXACT [KEGG_COMPOUND] xref: Beilstein:10895 {source="Beilstein"} xref: CAS:122-34-9 {source="ChemIDplus"} xref: CAS:122-34-9 {source="NIST Chemistry WebBook"} xref: CAS:122-34-9 {source="KEGG COMPOUND"} xref: KEGG:C11172 xref: LINCS:LSM-19997 xref: MetaCyc:CPD-9355 xref: Pesticides:simazine {source="Alan Wood's Pesticides"} xref: PMID:12791541 {source="Europe PMC"} xref: PMID:14640584 {source="Europe PMC"} xref: PMID:15149137 {source="Europe PMC"} xref: PMID:19101008 {source="Europe PMC"} xref: PPDB:592 xref: Reaxys:10895 {source="Reaxys"} xref: UM-BBD_compID:c0254 {source="UM-BBD"} xref: Wikipedia:Simazine is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODCWYMIRDDJXKW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.65658" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.07812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(NCC)n1" xsd:string [Term] id: CHEBI:27500 name: 4-aminobenzenesulfonic acid namespace: chebi_ontology alt_id: CHEBI:1782 def: "An aminobenzenesulfonic acid that is aniline sulfonated at the para-position." [] subset: 3_STAR synonym: "4-Aminobenzenesulfonic acid" EXACT [KEGG_COMPOUND] synonym: "4-aminobenzenesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "aniline-p-sulfonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "aniline-p-sulphonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-Aminobenzenesulfonic acid" RELATED [KEGG_COMPOUND] synonym: "p-aminophenylsulfonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfanilic acid" RELATED [KEGG_COMPOUND] synonym: "Sulfanilsaeure" RELATED [ChEBI] synonym: "sulphanilic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:908765 {source="Beilstein"} xref: CAS:121-57-3 {source="NIST Chemistry WebBook"} xref: CAS:121-57-3 {source="ChemIDplus"} xref: CAS:121-57-3 {source="KEGG COMPOUND"} xref: Drug_Central:3562 {source="DrugCentral"} xref: Gmelin:101735 {source="Gmelin"} xref: KEGG:C06335 xref: MetaCyc:CPD-10427 xref: PMID:22764117 {source="Europe PMC"} xref: PMID:2434548 {source="Europe PMC"} xref: PMID:24435205 {source="Europe PMC"} xref: PMID:25259503 {source="Europe PMC"} xref: PMID:7200051 {source="Europe PMC"} xref: Reaxys:908765 {source="Reaxys"} xref: Wikipedia:Sulfanilic_acid is_a: CHEBI:33557 ! aminobenzenesulfonic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:76206 ! xenobiotic metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:20313 ! 4-aminobenzenesulfonate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVBSAKJJOYLTQU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.19000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.01466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S(O)(=O)=O" xsd:string [Term] id: CHEBI:27518 name: acetylene namespace: chebi_ontology alt_id: CHEBI:22199 alt_id: CHEBI:2419 alt_id: CHEBI:42285 subset: 3_STAR synonym: "[CH(CH)]" RELATED [MolBase] synonym: "Acetylen" RELATED [ChemIDplus] synonym: "Acetylene" EXACT [KEGG_COMPOUND] synonym: "acetylene" EXACT [IUPAC] synonym: "acetylene" EXACT IUPAC_NAME [IUPAC] synonym: "acetylene" EXACT [UniProt] synonym: "Azetylen" RELATED [ChEBI] synonym: "C2H2" RELATED [NIST_Chemistry_WebBook] synonym: "CH#CH" RELATED [IUPAC] synonym: "Ethin" RELATED [ChEBI] synonym: "Ethyne" RELATED [KEGG_COMPOUND] synonym: "ethyne" EXACT IUPAC_NAME [IUPAC] synonym: "ethyne" RELATED [ChEBI] synonym: "HC#CH" RELATED [ChEBI] synonym: "HCCH" RELATED [ChEBI] synonym: "Narcylen" RELATED [ChemIDplus] synonym: "vinylene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:906677 {source="Beilstein"} xref: CAS:74-86-2 {source="KEGG COMPOUND"} xref: CAS:74-86-2 {source="NIST Chemistry WebBook"} xref: CAS:74-86-2 {source="ChemIDplus"} xref: Gmelin:210 {source="Gmelin"} xref: KEGG:C01548 xref: MolBase:936 xref: UM-BBD_compID:c0526 {source="UM-BBD"} is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:22339 ! alkyne is_a: CHEBI:73477 ! terminal acetylenic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2/c1-2/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSFWRNGVRCDJHI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.03728" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.01565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C#C" xsd:string [Term] id: CHEBI:27532 name: L-cysteine thioether namespace: chebi_ontology alt_id: CHEBI:23510 alt_id: CHEBI:4051 def: "Any L-cysteine derivative obtained by conversion of the thiol group into a sulfide." [] subset: 3_STAR synonym: "cysteine thioether" RELATED [ChEBI] synonym: "L-cysteine thioethers" RELATED [ChEBI] is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:47910 ! S-substituted L-cysteine [Term] id: CHEBI:27560 name: boron atom namespace: chebi_ontology alt_id: CHEBI:22915 alt_id: CHEBI:3152 subset: 3_STAR synonym: "5B" RELATED [IUPAC] synonym: "B" RELATED [KEGG_COMPOUND] synonym: "Bor" RELATED [ChEBI] synonym: "boracium" RELATED [ChEBI] synonym: "bore" RELATED [ChEBI] synonym: "boro" RELATED [ChEBI] synonym: "Boron" RELATED [KEGG_COMPOUND] synonym: "boron" EXACT IUPAC_NAME [IUPAC] synonym: "boron" RELATED [ChEBI] xref: CAS:7440-42-8 {source="ChemIDplus"} xref: CAS:7440-42-8 {source="KEGG COMPOUND"} xref: KEGG:C06266 xref: WebElements:B is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33317 ! boron group element atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "B" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/B" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOXJGFHDIHLPTG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "10.81100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "11.00930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[B]" xsd:string [Term] id: CHEBI:27561 name: oxirane namespace: chebi_ontology alt_id: CHEBI:24001 alt_id: CHEBI:4900 def: "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom." [] subset: 3_STAR synonym: "1,2-Epoxyaethan" RELATED [ChemIDplus] synonym: "1,2-epoxyethane" RELATED [NIST_Chemistry_WebBook] synonym: "Aethylenoxid" RELATED [ChemIDplus] synonym: "Amprolene" RELATED [ChemIDplus] synonym: "Anprolene" RELATED [NIST_Chemistry_WebBook] synonym: "Anproline" RELATED [ChemIDplus] synonym: "Dihydrooxirene" RELATED [ChemIDplus] synonym: "Dimethylene oxide" RELATED [ChemIDplus] synonym: "epoxyethane" RELATED [NIST_Chemistry_WebBook] synonym: "ethene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylene oxide" RELATED [KEGG_COMPOUND] synonym: "ETO" RELATED [ChemIDplus] synonym: "Oxacyclopropane" RELATED [ChemIDplus] synonym: "Oxane" RELATED [ChemIDplus] synonym: "Oxidoethane" RELATED [ChemIDplus] synonym: "oxirane" EXACT IUPAC_NAME [IUPAC] synonym: "oxyde d'ethylene" RELATED [ChemIDplus] synonym: "Oxyfume" RELATED [ChEBI] xref: Beilstein:102378 {source="Beilstein"} xref: CAS:75-21-8 {source="NIST Chemistry WebBook"} xref: CAS:75-21-8 {source="KEGG COMPOUND"} xref: CAS:75-21-8 {source="ChemIDplus"} xref: Gmelin:676 {source="Gmelin"} xref: HMDB:HMDB0031305 xref: KEGG:C06548 xref: KEGG:D03474 xref: PMID:11437638 {source="Europe PMC"} xref: PMID:24313866 {source="Europe PMC"} xref: PMID:24882394 {source="Europe PMC"} xref: PMID:25005741 {source="Europe PMC"} xref: PMID:3932500 {source="Europe PMC"} xref: Reaxys:102378 {source="Reaxys"} xref: UM-BBD_compID:c0527 {source="UM-BBD"} xref: Wikipedia:Oxirane is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:38104 ! oxacycle relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAYPIBMASNFSPL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.05256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CO1" xsd:string [Term] id: CHEBI:27563 name: arsenic atom namespace: chebi_ontology alt_id: CHEBI:22630 alt_id: CHEBI:2845 subset: 3_STAR synonym: "33As" RELATED [IUPAC] synonym: "Arsen" RELATED [ChemIDplus] synonym: "Arsenic" RELATED [KEGG_COMPOUND] synonym: "arsenic" EXACT IUPAC_NAME [IUPAC] synonym: "arsenic" RELATED [ChEBI] synonym: "arsenico" RELATED [ChEBI] synonym: "arsenicum" RELATED [ChEBI] synonym: "As" RELATED [KEGG_COMPOUND] xref: CAS:7440-38-2 {source="ChemIDplus"} xref: CAS:7440-38-2 {source="KEGG COMPOUND"} xref: KEGG:C06269 xref: WebElements:As is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "As" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/As" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQNWIZPPADIBDY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.92160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.92159" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[As]" xsd:string [Term] id: CHEBI:27568 name: selenium atom namespace: chebi_ontology alt_id: CHEBI:26627 alt_id: CHEBI:9091 subset: 3_STAR synonym: "34Se" RELATED [IUPAC] synonym: "Se" RELATED [IUPAC] synonym: "Selen" RELATED [ChemIDplus] synonym: "selenio" RELATED [ChEBI] synonym: "Selenium" RELATED [KEGG_COMPOUND] synonym: "selenium" EXACT IUPAC_NAME [IUPAC] synonym: "selenium" RELATED [ChEBI] xref: CAS:7782-49-2 {source="ChemIDplus"} xref: CAS:7782-49-2 {source="NIST Chemistry WebBook"} xref: DrugBank:DB11135 xref: FooDB:FDB013400 xref: HMDB:HMDB0001349 xref: KEGG:C01529 xref: WebElements:Se xref: Wikipedia:Selenium is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUGBHKTXTAQXES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.96000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.91652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27570 name: histidine namespace: chebi_ontology alt_id: CHEBI:24598 alt_id: CHEBI:43118 alt_id: CHEBI:5733 def: "An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3." [] subset: 3_STAR synonym: "2-amino-3-(1H-imidazol-4-yl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-1H-imidazole-4-propionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Histidine" RELATED [KEGG_COMPOUND] synonym: "Histidin" RELATED [ChEBI] synonym: "histidina" RELATED [ChEBI] synonym: "Histidine" EXACT [KEGG_COMPOUND] synonym: "histidine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:84087 {source="Beilstein"} xref: CAS:4998-57-6 {source="ChemIDplus"} xref: Gmelin:3656 {source="Gmelin"} xref: KEGG:C00768 xref: KNApSAcK:C00001363 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:29286160 {source="Europe PMC"} xref: Reaxys:84087 {source="Reaxys"} xref: Wikipedia:Histidine is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_part CHEBI:50338 ! 1H-imidazol-4-ylmethyl group relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:32529 ! histidinate(1-) relationship: is_conjugate_base_of CHEBI:32531 ! histidinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNDVDQJCIGZPNO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "155.15468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "155.06948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1c[nH]cn1)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27573 name: silicon atom namespace: chebi_ontology alt_id: CHEBI:26676 alt_id: CHEBI:9140 subset: 3_STAR synonym: "14Si" RELATED [IUPAC] synonym: "Si" RELATED [KEGG_COMPOUND] synonym: "Si" RELATED [IUPAC] synonym: "silicio" RELATED [ChEBI] synonym: "silicium" RELATED [ChEBI] synonym: "Silicon" RELATED [KEGG_COMPOUND] synonym: "silicon" EXACT IUPAC_NAME [IUPAC] synonym: "silicon" RELATED [ChEBI] synonym: "Silizium" RELATED [ChEBI] xref: CAS:7440-21-3 {source="ChemIDplus"} xref: KEGG:C06263 xref: WebElements:Si is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIMIQQOPSSXEZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.08550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.97693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Si]" xsd:string [Term] id: CHEBI:27577 name: phosphoramidate ester namespace: chebi_ontology alt_id: CHEBI:26050 alt_id: CHEBI:37718 alt_id: CHEBI:8144 def: "A phosphoric ester (phosphate) that has an NR2 instead of an OH group." [] subset: 3_STAR synonym: "Phosphoamide" RELATED [KEGG_COMPOUND] synonym: "phosphoramidate esters" RELATED [ChEBI] xref: KEGG:C01976 is_a: CHEBI:17102 ! phosphoramide is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:27584 name: aldosterone namespace: chebi_ontology alt_id: CHEBI:22306 alt_id: CHEBI:2563 alt_id: CHEBI:40919 def: "A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney." [] subset: 3_STAR synonym: "(+)-aldosterone" RELATED [NIST_Chemistry_WebBook] synonym: "(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al" RELATED [NIST_Chemistry_WebBook] synonym: "11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al" RELATED [KEGG_COMPOUND] synonym: "11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al" EXACT IUPAC_NAME [IUPAC] synonym: "ALDOSTERONE" EXACT [PDBeChem] synonym: "Aldosterone" EXACT [KEGG_COMPOUND] synonym: "aldosterone" EXACT [UniProt] xref: Beilstein:3224996 {source="ChemIDplus"} xref: CAS:52-39-1 {source="ChemIDplus"} xref: CAS:52-39-1 {source="NIST Chemistry WebBook"} xref: CAS:52-39-1 {source="KEGG COMPOUND"} xref: Drug_Central:111 {source="DrugCentral"} xref: DrugBank:DB04630 xref: HMDB:HMDB0000037 xref: KEGG:C01780 xref: LINCS:LSM-42770 xref: LIPID_MAPS_instance:LMST02030026 {source="LIPID MAPS"} xref: PDBeChem:AS4 xref: PMID:10438974 {source="Europe PMC"} xref: Reaxys:3224996 {source="Reaxys"} xref: Wikipedia:Aldosterone is_a: CHEBI:131565 ! steroid aldehyde is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:25354 ! mineralocorticoid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:36887 ! 18-oxo steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:64600 ! C21-steroid hormone relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H28O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PQSUYGKTWSAVDQ-ZVIOFETBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.44400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.19367" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO" xsd:string [Term] id: CHEBI:27594 name: carbon atom namespace: chebi_ontology alt_id: CHEBI:23009 alt_id: CHEBI:3399 subset: 3_STAR synonym: "6C" RELATED [IUPAC] synonym: "C" RELATED [KEGG_COMPOUND] synonym: "C" RELATED [IUPAC] synonym: "Carbon" RELATED [KEGG_COMPOUND] synonym: "carbon" EXACT IUPAC_NAME [IUPAC] synonym: "carbon" RELATED [ChEBI] synonym: "carbone" RELATED [ChEBI] synonym: "carbonium" RELATED [ChEBI] synonym: "carbono" RELATED [ChEBI] synonym: "Kohlenstoff" RELATED [ChEBI] xref: CAS:7440-44-0 "KEGG COMPOUND" xref: CAS:7440-44-0 {source="ChemIDplus"} xref: CAS:7440-44-0 {source="KEGG COMPOUND"} xref: KEGG:C06265 xref: WebElements:C is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "12.01070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "12.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C]" xsd:string [Term] id: CHEBI:27612 name: hydantoin namespace: chebi_ontology alt_id: CHEBI:24625 alt_id: CHEBI:5773 subset: 3_STAR synonym: "2,4(3H,5H)-imidazoledione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-imidazolidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "Glycolylurea" RELATED [KEGG_COMPOUND] synonym: "Hydantoin" EXACT [KEGG_COMPOUND] synonym: "imidazole-2,4(3H,5H)-dione" RELATED [ChemIDplus] synonym: "imidazolidine-2,4-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:110598 {source="Beilstein"} xref: CAS:461-72-3 {source="ChemIDplus"} xref: CAS:461-72-3 {source="NIST Chemistry WebBook"} xref: CAS:461-72-3 {source="KEGG COMPOUND"} xref: Gmelin:101266 {source="Gmelin"} xref: KEGG:C05146 xref: PDBeChem:HYN is_a: CHEBI:24628 ! imidazolidine-2,4-dione property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJRBRSLFGCUECM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.07614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.02728" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CNC(=O)N1" xsd:string [Term] id: CHEBI:2762 name: antimycin A namespace: chebi_ontology alt_id: CHEBI:22584 alt_id: CHEBI:40908 def: "A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison." [] subset: 3_STAR synonym: "(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Antimycin A1" RELATED [KEGG_COMPOUND] synonym: "antimycin A1b" RELATED [ChEBI] synonym: "Antipiricullin" RELATED [ChemIDplus] synonym: "Fintrol" RELATED [ChemIDplus] synonym: "Virosin" RELATED [ChemIDplus] xref: Beilstein:72665 {source="Beilstein"} xref: CAS:1397-94-0 {source="ChemIDplus"} xref: CAS:642-15-9 {source="ChemIDplus"} xref: CAS:642-15-9 {source="KEGG COMPOUND"} xref: KEGG:C11339 xref: MetaCyc:CPD-5744 xref: PDBeChem:AY1 xref: PMID:16819166 {source="Europe PMC"} xref: PMID:29790043 {source="Europe PMC"} xref: PMID:30914247 {source="Europe PMC"} xref: PMID:31079230 {source="Europe PMC"} xref: PMID:32662599 {source="Europe PMC"} is_a: CHEBI:145556 ! macrodiolide is_a: CHEBI:22702 ! benzamides is_a: CHEBI:24079 ! formamides is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:167183 ! piscicide relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor relationship: has_role CHEBI:35718 ! antifungal agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H40N2O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UIFFUZWRFRDZJC-SBOOETFBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "548.633" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "548.27338" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O" xsd:string [Term] id: CHEBI:27632 name: acetophenone namespace: chebi_ontology alt_id: CHEBI:22186 alt_id: CHEBI:2403 alt_id: CHEBI:40490 def: "A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group." [] subset: 3_STAR synonym: "1-phenylethan-1-one" EXACT [] synonym: "1-Phenylethanone" RELATED [] synonym: "1-phenylethanone" RELATED [] synonym: "Acetophenone" EXACT [] synonym: "acetophenone" EXACT [] synonym: "Acetylbenzene" RELATED [] synonym: "benzoyl methide" RELATED [] synonym: "Methyl phenyl ketone" RELATED [] synonym: "Phenyl methyl ketone" RELATED [] xref: CAS:98-86-2 xref: DrugBank:DB04619 xref: HMDB:HMDB0033910 xref: KEGG:C07113 xref: KNApSAcK:C00002685 xref: PMID:10397882 xref: PMID:24634568 xref: UM-BBD_compID:c0117 xref: Wikipedia:Acetophenone is_a: CHEBI:51867 ! methyl ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWOLFJPFCHCOCG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.14852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:27638 name: cobalt atom namespace: chebi_ontology alt_id: CHEBI:23335 alt_id: CHEBI:3788 def: "A cobalt group element atom that has atomic number 27." [] subset: 3_STAR synonym: "27Co" RELATED [IUPAC] synonym: "Co" RELATED [UniProt] synonym: "Co" RELATED [IUPAC] synonym: "Cobalt" RELATED [KEGG_COMPOUND] synonym: "cobalt" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt" RELATED [ChEBI] synonym: "cobalto" RELATED [ChEBI] synonym: "cobaltum" RELATED [ChEBI] synonym: "Kobalt" RELATED [NIST_Chemistry_WebBook] xref: CAS:7440-48-4 {source="NIST Chemistry WebBook"} xref: CAS:7440-48-4 {source="ChemIDplus"} xref: CAS:7440-48-4 {source="KEGG COMPOUND"} xref: KEGG:C00175 xref: KEGG:C19171 xref: PDBeChem:3CO xref: WebElements:Co is_a: CHEBI:33358 ! cobalt group element atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUTLYIVDDKVIGB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.93320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co]" xsd:string [Term] id: CHEBI:27641 name: cycloheximide namespace: chebi_ontology alt_id: CHEBI:23484 alt_id: CHEBI:4015 def: "A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus." [] subset: 3_STAR synonym: "3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide" RELATED [ChemIDplus] synonym: "4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "cicloheximida" RELATED INN [ChemIDplus] synonym: "cicloheximide" RELATED INN [WHO_MedNet] synonym: "cicloheximidum" RELATED INN [ChemIDplus] synonym: "Cycloheximid" RELATED [ChEBI] synonym: "Cycloheximide" EXACT [KEGG_COMPOUND] synonym: "cycloheximide" EXACT [UniProt] synonym: "naramycin" RELATED [ChemIDplus] synonym: "naramycin A" RELATED [ChemIDplus] synonym: "Zykloheximid" RELATED [ChEBI] xref: Beilstein:88868 {source="Beilstein"} xref: CAS:66-81-9 {source="ChemIDplus"} xref: CAS:66-81-9 {source="KEGG COMPOUND"} xref: KEGG:C06685 xref: KEGG:D03625 xref: KNApSAcK:C00047211 xref: LINCS:LSM-2791 xref: PDBeChem:3HE xref: PMID:11972861 {source="Europe PMC"} xref: PMID:16659174 {source="Europe PMC"} xref: PMID:25209664 {source="Europe PMC"} xref: PMID:26715760 {source="Europe PMC"} xref: PMID:27192630 {source="Europe PMC"} xref: PMID:27665925 {source="Europe PMC"} xref: PMID:30154175 {source="Europe PMC"} xref: PMID:30916348 {source="Europe PMC"} xref: PMID:32299921 {source="Europe PMC"} xref: PMID:33101237 {source="Europe PMC"} xref: PPDB:1680 xref: Reaxys:88868 {source="Reaxys"} xref: Wikipedia:Cycloheximide is_a: CHEBI:35356 ! dicarboximide is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:48589 ! piperidones is_a: CHEBI:49318 ! piperidine antibiotic is_a: CHEBI:87114 ! antibiotic fungicide relationship: has_functional_parent CHEBI:5435 ! piperidine-2,6-dione relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H23NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YPHMISFOHDHNIV-FSZOTQKASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.16271" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1" xsd:string [Term] id: CHEBI:27642 name: methyl tert-butyl ether namespace: chebi_ontology alt_id: CHEBI:25261 alt_id: CHEBI:59027 alt_id: CHEBI:6860 def: "An ether having methyl and tert-butyl as the two alkyl components." [] subset: 3_STAR synonym: "2-Methoxy-2-methylpropane" RELATED [ChemIDplus] synonym: "2-Methyl-2-methoxypropane" RELATED [ChemIDplus] synonym: "Methyl 1,1-dimethylethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl t-butyl ether" RELATED [ChemIDplus] synonym: "Methyl tert-butyl ether" EXACT [KEGG_COMPOUND] synonym: "Methyl tertiary-butyl ether" RELATED [ChemIDplus] synonym: "MTBE" RELATED [ChEBI] synonym: "t-Butyl methyl ether" RELATED [ChemIDplus] synonym: "tert-Butyl methyl ether" RELATED [KEGG_COMPOUND] synonym: "tert-butyl methyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "tert-C4H9OCH3" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1730942 {source="Beilstein"} xref: CAS:1634-04-4 {source="ChemIDplus"} xref: Gmelin:773738 {source="Gmelin"} xref: KEGG:C11344 xref: PMID:19201538 {source="Europe PMC"} xref: PMID:21044818 {source="Europe PMC"} xref: PMID:21072404 {source="Europe PMC"} xref: PMID:21112690 {source="Europe PMC"} xref: PMID:21130999 {source="Europe PMC"} xref: PMID:21131048 {source="Europe PMC"} xref: PMID:21227585 {source="Europe PMC"} xref: PMID:21315889 {source="Europe PMC"} xref: PMID:21330701 {source="Europe PMC"} xref: PMID:21482276 {source="Europe PMC"} xref: PMID:21644118 {source="Europe PMC"} xref: PMID:21684239 {source="Europe PMC"} xref: PMID:21780613 {source="Europe PMC"} xref: PMID:21782339 {source="Europe PMC"} xref: PMID:9472332 {source="Europe PMC"} xref: Reaxys:1730942 {source="Reaxys"} xref: Wikipedia:MTBE is_a: CHEBI:25698 ! ether relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:62803 ! fuel additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZLVMXJERCGZMT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.14820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(C)(C)C" xsd:string [Term] id: CHEBI:27656 name: camptothecin namespace: chebi_ontology alt_id: CHEBI:22997 alt_id: CHEBI:3343 def: "A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer)." [] subset: 3_STAR synonym: "(+)-camptothecin" RELATED [DrugBank] synonym: "(+)-camptothecine" RELATED [DrugBank] synonym: "(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-camptothecin" RELATED [DrugBank] synonym: "20(S)-camptothecine" RELATED [ChemIDplus] synonym: "21,22-Secocamptothecin-21-oic acid lactone" RELATED [ChemIDplus] synonym: "Camptothecin" EXACT [KEGG_COMPOUND] synonym: "Camptothecine" RELATED [ChemIDplus] synonym: "CPT" RELATED [DrugBank] synonym: "D-camptothecin" RELATED [DrugBank] xref: Beilstein:6075662 {source="Beilstein"} xref: CAS:7689-03-4 {source="ChemIDplus"} xref: DrugBank:DB04690 xref: KEGG:C01897 xref: KNApSAcK:C00002145 xref: LINCS:LSM-4611 xref: PDBeChem:EHD xref: PMID:11024478 {source="Europe PMC"} xref: PMID:11549373 {source="Europe PMC"} xref: PMID:23344961 {source="Europe PMC"} xref: PMID:23474217 {source="Europe PMC"} xref: PMID:23676007 {source="Europe PMC"} xref: PMID:8965250 {source="Europe PMC"} xref: Reaxys:6075662 {source="Reaxys"} xref: Wikipedia:Camptothecin is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:26509 ! quinoline alkaloid is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:48626 ! pyranoindolizinoquinoline relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H16N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSJKWCGYPAHWDS-FQEVSTJZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "348.35200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "348.11101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O" xsd:string [Term] id: CHEBI:27659 name: 2-oxo aldehyde namespace: chebi_ontology alt_id: CHEBI:1248 alt_id: CHEBI:13595 alt_id: CHEBI:19739 def: "Any aldehyde having an oxo substituent at the 2-position." [] subset: 3_STAR synonym: "2-oxo aldehydes" RELATED [ChEBI] synonym: "2-Oxoaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-oxoaldehyde" RELATED [UniProt] xref: KEGG:C00538 is_a: CHEBI:24960 ! ketoaldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)[H])(=O)*" xsd:string [Term] id: CHEBI:27666 name: actinomycin D namespace: chebi_ontology alt_id: CHEBI:22218 alt_id: CHEBI:2446 subset: 3_STAR synonym: "2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide" RELATED [ChemIDplus] synonym: "ActD" RELATED [ChEBI] synonym: "actinomycin C1" RELATED [ChEBI] synonym: "Actinomycin D" EXACT [KEGG_COMPOUND] synonym: "actinomycin IV" RELATED [ChemIDplus] synonym: "Dactinomycin" RELATED [KEGG_COMPOUND] xref: Beilstein:4173766 {source="Beilstein"} xref: CAS:50-76-0 {source="ChemIDplus"} xref: CAS:50-76-0 {source="KEGG COMPOUND"} xref: Drug_Central:774 {source="DrugCentral"} xref: DrugBank:DB00970 xref: KEGG:C06770 xref: KEGG:D00214 xref: LINCS:LSM-5783 xref: Wikipedia:Dactinomycin is_a: CHEBI:15369 ! actinomycin relationship: has_role CHEBI:25435 ! mutagen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C62H86N12O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJURFGZVJUQBHK-IIXSONLDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1255.41700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1254.62847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C" xsd:string [Term] id: CHEBI:27689 name: decanoate namespace: chebi_ontology alt_id: CHEBI:125804 alt_id: CHEBI:23570 def: "A fatty acid anion 10:0 that is the conjugate base of decanoic acid." [] subset: 3_STAR synonym: "1-nonanecarboxylate" RELATED [ChEBI] synonym: "caprate" RELATED [ChEBI] synonym: "caprinate" RELATED [ChEBI] synonym: "caprynate" RELATED [ChEBI] synonym: "CH3-[CH2]8-COO(-)" RELATED [IUPAC] synonym: "decanoate" EXACT [UniProt] synonym: "decanoate" EXACT IUPAC_NAME [IUPAC] synonym: "decanoic acid anion" RELATED [ChEBI] synonym: "decoate" RELATED [ChEBI] synonym: "decylate" RELATED [ChEBI] synonym: "n-caprate" RELATED [ChEBI] synonym: "n-decanoate" RELATED [ChEBI] synonym: "n-decoate" RELATED [ChEBI] synonym: "n-decylate" RELATED [ChEBI] synonym: "nC9H19CO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3538146 {source="Beilstein"} xref: Gmelin:330643 {source="Gmelin"} xref: KEGG:C01571 xref: MetaCyc:CPD-3617 xref: Reaxys:3538146 {source="Reaxys"} is_a: CHEBI:194240 ! omega-methyl-medium-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78118 ! fatty acid anion 10:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:30813 ! decanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHVNFZFCNZKVNT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "171.25670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.13905" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:27698 name: vanadium atom namespace: chebi_ontology alt_id: CHEBI:27274 alt_id: CHEBI:9930 subset: 3_STAR synonym: "23V" RELATED [IUPAC] synonym: "V" RELATED [KEGG_COMPOUND] synonym: "V" RELATED [IUPAC] synonym: "vanadio" RELATED [ChEBI] synonym: "Vanadium" RELATED [KEGG_COMPOUND] synonym: "vanadium" EXACT IUPAC_NAME [IUPAC] synonym: "vanadium" RELATED [ChEBI] xref: CAS:7440-62-2 {source="KEGG COMPOUND"} xref: CAS:7440-62-2 {source="NIST Chemistry WebBook"} xref: CAS:7440-62-2 {source="ChemIDplus"} xref: KEGG:C06267 xref: WebElements:V is_a: CHEBI:33347 ! vanadium group element atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LEONUFNNVUYDNQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "50.94150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "50.94396" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[V]" xsd:string [Term] id: CHEBI:27726 name: 6-chloro-1,3,5-triazine-2,4-diamine namespace: chebi_ontology alt_id: CHEBI:23598 alt_id: CHEBI:4375 subset: 3_STAR synonym: "2,4-diamino-6-chloro-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-diamino-6-chloro-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-chloro-4,6-diamino-s-triazine" RELATED [ChemIDplus] synonym: "2-chloro-4,6-diaminotriazine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "Deisopropyldeethylatrazine" RELATED [KEGG_COMPOUND] xref: Beilstein:124340 {source="Beilstein"} xref: CAS:3397-62-4 {source="NIST Chemistry WebBook"} xref: CAS:3397-62-4 {source="ChemIDplus"} xref: CAS:3397-62-4 {source="KEGG COMPOUND"} xref: KEGG:C06560 xref: UM-BBD_compID:c0170 {source="UM-BBD"} is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine relationship: has_functional_parent CHEBI:38071 ! 1,3,5-triazine-2,4-diamine relationship: has_functional_parent CHEBI:38074 ! 2-chloro-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FVFVNNKYKYZTJU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.55026" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.01552" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc(N)nc(Cl)n1" xsd:string [Term] id: CHEBI:27732 name: caffeine namespace: chebi_ontology alt_id: CHEBI:22982 alt_id: CHEBI:3295 alt_id: CHEBI:41472 def: "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee." [] subset: 3_STAR synonym: "1,3,7-trimethyl-2,6-dioxopurine" RELATED [ChemIDplus] synonym: "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,7-trimethylpurine-2,6-dione" RELATED [IUPHAR] synonym: "1,3,7-Trimethylxanthine" RELATED [KEGG_COMPOUND] synonym: "1,3,7-trimethylxanthine" RELATED [NIST_Chemistry_WebBook] synonym: "1-methyltheobromine" RELATED [ChemIDplus] synonym: "3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion" RELATED [NIST_Chemistry_WebBook] synonym: "7-methyltheophylline" RELATED [NIST_Chemistry_WebBook] synonym: "anhydrous caffeine" RELATED [KEGG_DRUG] synonym: "cafeina" RELATED [ChemIDplus] synonym: "cafeine" RELATED [ChEBI] synonym: "CAFFEINE" EXACT [PDBeChem] synonym: "Caffeine" EXACT [KEGG_COMPOUND] synonym: "caffeine" EXACT [UniProt] synonym: "caffeine added" EXACT [] synonym: "Coffein" RELATED [ChemIDplus] synonym: "guaranine" RELATED [IUPHAR] synonym: "Koffein" RELATED [ChemIDplus] synonym: "mateina" RELATED [ChemIDplus] synonym: "methyltheobromine" RELATED [IUPHAR] synonym: "teina" RELATED [ChEBI] synonym: "Thein" RELATED [ChemIDplus] synonym: "theine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:17705 {source="Beilstein"} xref: CAS:58-08-2 {source="NIST Chemistry WebBook"} xref: CAS:58-08-2 {source="ChemIDplus"} xref: CAS:58-08-2 {source="KEGG COMPOUND"} xref: Drug_Central:463 {source="DrugCentral"} xref: DrugBank:DB00201 xref: Gmelin:103040 {source="Gmelin"} xref: HMDB:HMDB0001847 xref: KEGG:C07481 xref: KEGG:D00528 xref: KNApSAcK:C00001492 xref: langual:thesaurus.asp?termid=H0849 xref: LINCS:LSM-2026 xref: MetaCyc:1-3-7-TRIMETHYLXANTHINE xref: PDBeChem:CFF xref: PMID:10510174 {source="Europe PMC"} xref: PMID:10796597 {source="Europe PMC"} xref: PMID:10803761 {source="Europe PMC"} xref: PMID:10822912 {source="Europe PMC"} xref: PMID:10884512 {source="Europe PMC"} xref: PMID:10924888 {source="Europe PMC"} xref: PMID:10983026 {source="Europe PMC"} xref: PMID:11014293 {source="Europe PMC"} xref: PMID:11022879 {source="Europe PMC"} xref: PMID:11209966 {source="Europe PMC"} xref: PMID:11312039 {source="Europe PMC"} xref: PMID:11410911 {source="Europe PMC"} xref: PMID:11431501 {source="Europe PMC"} xref: PMID:11815511 {source="Europe PMC"} xref: PMID:11949272 {source="Europe PMC"} xref: PMID:12397877 {source="Europe PMC"} xref: PMID:12457274 {source="Europe PMC"} xref: PMID:12574990 {source="Europe PMC"} xref: PMID:12915014 {source="Europe PMC"} xref: PMID:12943586 {source="Europe PMC"} xref: PMID:14521986 {source="Europe PMC"} xref: PMID:14607010 {source="Europe PMC"} xref: PMID:15257305 {source="Europe PMC"} xref: PMID:15280431 {source="Europe PMC"} xref: PMID:15681408 {source="Europe PMC"} xref: PMID:15718055 {source="Europe PMC"} xref: PMID:15840517 {source="Europe PMC"} xref: PMID:16143823 {source="Europe PMC"} xref: PMID:16391865 {source="Europe PMC"} xref: PMID:16528931 {source="Europe PMC"} xref: PMID:16644114 {source="Europe PMC"} xref: PMID:16709440 {source="Europe PMC"} xref: PMID:16805851 {source="Europe PMC"} xref: PMID:16856769 {source="Europe PMC"} xref: PMID:17132260 {source="Europe PMC"} xref: PMID:17387608 {source="Europe PMC"} xref: PMID:17508167 {source="Europe PMC"} xref: PMID:17724925 {source="Europe PMC"} xref: PMID:17932622 {source="Europe PMC"} xref: PMID:17957400 {source="Europe PMC"} xref: PMID:18068204 {source="Europe PMC"} xref: PMID:18258404 {source="Europe PMC"} xref: PMID:18421070 {source="Europe PMC"} xref: PMID:18513215 {source="Europe PMC"} xref: PMID:18625110 {source="Europe PMC"} xref: PMID:18647558 {source="Europe PMC"} xref: PMID:19007524 {source="Europe PMC"} xref: PMID:19047957 {source="Europe PMC"} xref: PMID:19084078 {source="Europe PMC"} xref: PMID:19088793 {source="Europe PMC"} xref: PMID:19418355 {source="Europe PMC"} xref: PMID:19879252 {source="Europe PMC"} xref: PMID:20164568 {source="Europe PMC"} xref: PMID:20470411 {source="Europe PMC"} xref: PMID:22114686 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23551936 {source="Europe PMC"} xref: PMID:24039592 {source="Europe PMC"} xref: PMID:7441110 {source="Europe PMC"} xref: PMID:7689104 {source="Europe PMC"} xref: PMID:8332255 {source="Europe PMC"} xref: PMID:8347173 {source="Europe PMC"} xref: PMID:8679661 {source="Europe PMC"} xref: PMID:9063686 {source="Europe PMC"} xref: PMID:9067318 {source="Europe PMC"} xref: PMID:9132918 {source="Europe PMC"} xref: PMID:9218278 {source="Europe PMC"} xref: Reaxys:17705 {source="Reaxys"} xref: Wikipedia:Caffeine is_a: CHEBI:27134 ! trimethylxanthine relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:35337 ! central nervous system stimulant relationship: has_role CHEBI:35471 ! psychotropic drug relationship: has_role CHEBI:35498 ! diuretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor relationship: has_role CHEBI:50925 ! EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor relationship: has_role CHEBI:53121 ! adenosine A2A receptor antagonist relationship: has_role CHEBI:60809 ! adjuvant relationship: has_role CHEBI:64047 ! food additive relationship: has_role CHEBI:67114 ! ryanodine receptor agonist relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76946 ! fungal metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:85234 ! human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYYVLZVUVIJVGH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.19076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1cnc2n(C)c(=O)n(C)c(=O)c12" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27744 name: glyphosate namespace: chebi_ontology alt_id: CHEBI:24423 alt_id: CHEBI:43013 alt_id: CHEBI:5510 def: "A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS)." [] subset: 3_STAR synonym: "Glyphosate" EXACT [KEGG_COMPOUND] synonym: "N-(phosphonomethyl)glycine" EXACT IUPAC_NAME [IUPAC] synonym: "Roundup" RELATED BRAND_NAME [KEGG_COMPOUND] xref: Beilstein:2045054 {source="Beilstein"} xref: CAS:1071-83-6 {source="KEGG COMPOUND"} xref: CAS:1071-83-6 {source="Alan Wood's Pesticides"} xref: CAS:1071-83-6 {source="ChemIDplus"} xref: DrugBank:DB04539 xref: Gmelin:279222 {source="Gmelin"} xref: KEGG:C01705 xref: PDBeChem:GPF xref: PDBeChem:GPJ xref: Pesticides:glyphosate {source="Alan Wood's Pesticides"} xref: PMID:27758090 {source="Europe PMC"} xref: PMID:28266132 {source="Europe PMC"} xref: PMID:28474816 {source="Europe PMC"} xref: PMID:28643882 {source="Europe PMC"} xref: PMID:28711546 {source="Europe PMC"} xref: PMID:30471482 {source="Europe PMC"} xref: PMID:30875550 {source="Europe PMC"} xref: PMID:31030151 {source="Europe PMC"} xref: PMID:31342895 {source="Europe PMC"} xref: PPDB:373 xref: UM-BBD_compID:c0134 {source="UM-BBD"} xref: Wikipedia:Glyphosate is_a: CHEBI:24373 ! glycine derivative is_a: CHEBI:44976 ! phosphonic acid relationship: has_role CHEBI:20569 ! EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: is_conjugate_acid_of CHEBI:133673 ! glyphosate(1-) relationship: is_conjugate_acid_of CHEBI:67052 ! glyphosate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDDAORKBJWWYJS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.07310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.01401" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CNCP(O)(O)=O" xsd:string [Term] id: CHEBI:27750 name: ethyl acetate namespace: chebi_ontology alt_id: CHEBI:2389 alt_id: CHEBI:23989 alt_id: CHEBI:42244 def: "The acetate ester formed between acetic acid and ethanol." [] subset: 3_STAR synonym: "1-acetoxyethane" RELATED [NIST_Chemistry_WebBook] synonym: "acetic acid ethyl ester" RELATED [ChemIDplus] synonym: "acetic acid, ethyl ester" RELATED [ChemIDplus] synonym: "acetic ester" RELATED [NIST_Chemistry_WebBook] synonym: "acetoxyethane" RELATED [ChemIDplus] synonym: "Acetyl ester" RELATED [KEGG_COMPOUND] synonym: "AcOEt" RELATED [ChEBI] synonym: "CH3-CO-O-CH3" RELATED [IUPAC] synonym: "Essigester" RELATED [NIST_Chemistry_WebBook] synonym: "Essigsaeureethylester" RELATED [ChEBI] synonym: "ETHYL ACETATE" EXACT [PDBeChem] synonym: "Ethyl acetate" EXACT [KEGG_COMPOUND] synonym: "ethyl acetate" EXACT [UniProt] synonym: "ethyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl acetic ester" RELATED [NIST_Chemistry_WebBook] synonym: "ethyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylacetat" RELATED [ChEBI] synonym: "Ethylazetat" RELATED [ChEBI] synonym: "EtOAc" RELATED [ChEBI] synonym: "vinegar naphtha" RELATED [UM-BBD] xref: Beilstein:506104 {source="Beilstein"} xref: CAS:141-78-6 {source="ChemIDplus"} xref: CAS:141-78-6 {source="NIST Chemistry WebBook"} xref: CAS:141-78-6 {source="KEGG COMPOUND"} xref: Gmelin:26306 {source="Gmelin"} xref: HMDB:HMDB0031217 xref: KEGG:C00849 xref: KEGG:C01883 xref: KEGG:D02319 xref: KNApSAcK:C00001308 xref: PDBeChem:EEE xref: PMID:11684179 {source="Europe PMC"} xref: PMID:15497757 {source="Europe PMC"} xref: PMID:21764274 {source="Europe PMC"} xref: PMID:21797203 {source="Europe PMC"} xref: PMID:23078109 {source="Europe PMC"} xref: PMID:23089728 {source="Europe PMC"} xref: PMID:23108979 {source="Europe PMC"} xref: PMID:23351147 {source="Europe PMC"} xref: PMID:23614288 {source="Europe PMC"} xref: Reaxys:506104 {source="Reaxys"} xref: UM-BBD_compID:c0036 {source="UM-BBD"} xref: Wikipedia:Ethyl_acetate is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEKOWRVHYACXOJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(C)=O" xsd:string [Term] id: CHEBI:27780 name: detergent namespace: chebi_ontology alt_id: CHEBI:23648 alt_id: CHEBI:4456 def: "A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions." [] subset: 3_STAR synonym: "detergent" EXACT IUPAC_NAME [IUPAC] synonym: "Detergents" RELATED [KEGG_COMPOUND] xref: KEGG:C01689 is_a: CHEBI:33232 ! application is_a: CHEBI:35195 ! surfactant [Term] id: CHEBI:27789 name: 1,2-dichloroethane namespace: chebi_ontology alt_id: CHEBI:18881 alt_id: CHEBI:49557 alt_id: CHEBI:497 def: "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2." [] subset: 3_STAR synonym: "1,2-DCE" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dichloraethan" RELATED [ChEBI] synonym: "1,2-DICHLOROETHANE" EXACT [PDBeChem] synonym: "1,2-Dichloroethane" EXACT [KEGG_COMPOUND] synonym: "1,2-dichloroethane" EXACT [UniProt] synonym: "1,2-dichloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "Aethylenchlorid" RELATED [ChEBI] synonym: "Aethylendichlorid" RELATED [ChEBI] synonym: "alpha,beta-dichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "DCE" RELATED [ChemIDplus] synonym: "Dutch liquid" RELATED [KEGG_COMPOUND] synonym: "EDC" RELATED [ChemIDplus] synonym: "ethane dichloride" RELATED [ChemIDplus] synonym: "ethylene chloride" RELATED [ChemIDplus] synonym: "Ethylene dichloride" RELATED [KEGG_COMPOUND] synonym: "Glycol dichloride" RELATED [KEGG_COMPOUND] xref: Beilstein:605264 {source="Beilstein"} xref: CAS:107-06-2 {source="NIST Chemistry WebBook"} xref: CAS:107-06-2 {source="ChemIDplus"} xref: CAS:107-06-2 {source="KEGG COMPOUND"} xref: DrugBank:DB03733 xref: Gmelin:49272 {source="Gmelin"} xref: HMDB:HMDB0029571 xref: KEGG:C06752 xref: MetaCyc:12-DICHLOROETHANE xref: PDBeChem:DCE xref: PMID:17564600 {source="Europe PMC"} xref: PMID:18579268 {source="Europe PMC"} xref: PMID:24228488 {source="Europe PMC"} xref: PMID:24329990 {source="Europe PMC"} xref: PMID:24441515 {source="Europe PMC"} xref: PMID:31520740 {source="Europe PMC"} xref: PMID:32830330 {source="Europe PMC"} xref: PMID:33047531 {source="Europe PMC"} xref: PPDB:2774 xref: Reaxys:605264 {source="Reaxys"} xref: UM-BBD_compID:c0001 {source="UM-BBD"} xref: Wikipedia:1\,2-Dichloroethane is_a: CHEBI:36016 ! chloroethanes relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSLDOOZREJYCGB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.95856" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCCl" xsd:string [Term] id: CHEBI:27798 name: nitrobenzene namespace: chebi_ontology alt_id: CHEBI:116696 alt_id: CHEBI:25551 alt_id: CHEBI:44199 alt_id: CHEBI:7588 def: "A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline." [] subset: 3_STAR synonym: "NITROBENZENE" EXACT [PDBeChem] synonym: "Nitrobenzene" EXACT [KEGG_COMPOUND] synonym: "nitrobenzene" EXACT [UniProt] synonym: "nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "Nitrobenzol" RELATED [KEGG_COMPOUND] synonym: "oil of mirbane" RELATED [ChEBI] xref: Beilstein:507540 {source="Beilstein"} xref: CAS:98-95-3 {source="ChemIDplus"} xref: CAS:98-95-3 {source="NIST Chemistry WebBook"} xref: CAS:98-95-3 {source="KEGG COMPOUND"} xref: Gmelin:50357 {source="Gmelin"} xref: HMDB:HMDB0041950 xref: KEGG:C06813 xref: MetaCyc:BENZENE-NO2 xref: PDBeChem:NBZ xref: PMID:11304127 {source="Europe PMC"} xref: PMID:12595155 {source="Europe PMC"} xref: Reaxys:507540 {source="Reaxys"} xref: UM-BBD_compID:c0313 {source="UM-BBD"} xref: Wikipedia:Nitrobenzene is_a: CHEBI:48109 ! nitrobenzenes is_a: CHEBI:51132 ! nitroarene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LQNUZADURLCDLV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.10940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccccc1" xsd:string [Term] id: CHEBI:27808 name: heroin namespace: chebi_ontology alt_id: CHEBI:24528 alt_id: CHEBI:5680 def: "A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses." [] subset: 3_STAR synonym: "(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)" RELATED [NIST_Chemistry_WebBook] synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate" EXACT IUPAC_NAME [IUPAC] synonym: "3,6-Diacetylmorphine" RELATED [ChemIDplus] synonym: "7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate" RELATED [ChemIDplus] synonym: "Diacetylmorphine" RELATED [KEGG_COMPOUND] synonym: "Diacetylmorphine" RELATED [ChemIDplus] synonym: "Diamorphine" RELATED [KEGG_COMPOUND] synonym: "Heroin" EXACT [KEGG_COMPOUND] synonym: "O,O'-Diacetylmorphine" RELATED [ChemIDplus] xref: CAS:561-27-3 {source="NIST Chemistry WebBook"} xref: CAS:561-27-3 {source="KEGG COMPOUND"} xref: CAS:561-27-3 {source="ChemIDplus"} xref: Drug_Central:4412 {source="DrugCentral"} xref: DrugBank:DB01452 xref: KEGG:C06534 xref: KEGG:D07286 xref: PMID:10454516 {source="Europe PMC"} xref: PMID:11441925 {source="Europe PMC"} xref: PMID:11448454 {source="Europe PMC"} xref: PMID:11557911 {source="Europe PMC"} xref: PMID:12965116 {source="Europe PMC"} xref: PMID:14534521 {source="Europe PMC"} xref: PMID:15212982 {source="Europe PMC"} xref: PMID:15213301 {source="Europe PMC"} xref: PMID:15550572 {source="Europe PMC"} xref: PMID:15772255 {source="Europe PMC"} xref: PMID:15843500 {source="Europe PMC"} xref: PMID:16076083 {source="Europe PMC"} xref: PMID:16333714 {source="Europe PMC"} xref: PMID:20331562 {source="Europe PMC"} xref: PMID:20649590 {source="Europe PMC"} xref: PMID:20735218 {source="Europe PMC"} xref: PMID:20810225 {source="Europe PMC"} xref: PMID:20855171 {source="Europe PMC"} xref: PMID:21235340 {source="Europe PMC"} xref: PMID:21309955 {source="Europe PMC"} xref: PMID:21362452 {source="Europe PMC"} xref: PMID:21452028 {source="Europe PMC"} xref: PMID:21527184 {source="Europe PMC"} xref: PMID:21568984 {source="Europe PMC"} xref: PMID:21608377 {source="Europe PMC"} xref: PMID:21734607 {source="Europe PMC"} xref: PMID:21740578 {source="Europe PMC"} xref: PMID:2352148 {source="Europe PMC"} xref: PMID:8858977 {source="Europe PMC"} xref: PMID:8893832 {source="Europe PMC"} xref: PMID:9918543 {source="Europe PMC"} xref: Reaxys:99261 {source="Reaxys"} xref: Wikipedia:Heroin is_a: CHEBI:25418 ! morphinane alkaloid relationship: has_functional_parent CHEBI:17303 ! morphine relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H23NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GVGLGOZIDCSQPN-PVHGPHFFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "369.41100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.15762" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C=C[C@H](OC(C)=O)[C@@H]3Oc4c(OC(C)=O)ccc5C[C@H]1N(C)CC[C@@]23c45" xsd:string [Term] id: CHEBI:27810 name: resorcinol namespace: chebi_ontology alt_id: CHEBI:26532 alt_id: CHEBI:45349 alt_id: CHEBI:8812 def: "A benzenediol that is benzene dihydroxylated at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Benzenediol" RELATED [] synonym: "1,3-Dihydroxybenzene" RELATED [] synonym: "1,3-Dihydroxybenzol" RELATED [] synonym: "benzene-1,3-diol" EXACT [] synonym: "m-Hydroquinone" RELATED [] synonym: "m-hydroxyphenol" RELATED [] synonym: "Resorcin" RELATED [] synonym: "RESORCINOL" EXACT [] synonym: "Resorcinol" EXACT [] synonym: "resorcinol" EXACT [] synonym: "Resorzin" RELATED [] xref: Beilstein:906905 xref: CAS:108-46-3 xref: Drug_Central:3524 xref: Gmelin:26734 xref: HMDB:HMDB0032037 xref: KEGG:C01751 xref: KEGG:D00133 xref: KNApSAcK:C00002671 xref: MetaCyc:CPD-623 xref: PDBeChem:RCO xref: PMID:11792395 xref: PMID:23352755 xref: PMID:24269627 xref: PMID:29079364 xref: PMID:3263257 xref: Reaxys:906905 xref: UM-BBD_compID:c0265 xref: Wikipedia:Resorcinol is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHMLBKRAJCXXBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.11064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cccc(O)c1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:27822 name: 2-aminobenzimidazole namespace: chebi_ontology alt_id: CHEBI:1016 alt_id: CHEBI:19467 def: "A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group." [] subset: 3_STAR synonym: "1H-benzimidazol-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "2-Aminobenzimidazole" EXACT [KEGG_COMPOUND] synonym: "2-Iminobenzimidazoline" RELATED [ChemIDplus] synonym: "Benzimidazol-2-ylamine" RELATED [ChemIDplus] xref: Beilstein:116525 {source="Beilstein"} xref: CAS:934-32-7 {source="NIST Chemistry WebBook"} xref: CAS:934-32-7 {source="ChemIDplus"} xref: CAS:934-32-7 {source="KEGG COMPOUND"} xref: KEGG:C10901 xref: PDBeChem:AX7 xref: PMID:22076761 {source="Europe PMC"} xref: PMID:22488868 {source="Europe PMC"} xref: PMID:22958065 {source="Europe PMC"} xref: PMID:24098350 {source="Europe PMC"} xref: Reaxys:116525 {source="Reaxys"} is_a: CHEBI:22715 ! benzimidazoles relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWYUFVNJZUSCSM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.15070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.06400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ccccc2[nH]1" xsd:string [Term] id: CHEBI:278547 name: sodium azide namespace: chebi_ontology def: "The sodium salt of hydrogen azide (hydrazoic acid)." [] subset: 3_STAR synonym: "Azoture de sodium" RELATED [ChemIDplus] synonym: "hydrazoic acid sodium salt" RELATED [ChEBI] synonym: "Hydrazoic acid, sodium salt" RELATED [ChemIDplus] synonym: "NaN3" RELATED [ChEBI] synonym: "Natriumazid" RELATED [ChemIDplus] xref: CAS:26628-22-8 {source="ChemIDplus"} xref: CAS:26628-22-8 {source="NIST Chemistry WebBook"} xref: MetaCyc:CPD-23697 xref: Pesticides:sodium_azide {source="Alan Wood's Pesticides"} xref: PMID:25916484 {source="Europe PMC"} xref: PMID:28712037 {source="Europe PMC"} xref: PMID:28849152 {source="Europe PMC"} xref: PMID:29947902 {source="Europe PMC"} xref: PMID:30664159 {source="Europe PMC"} xref: PMID:31088611 {source="Europe PMC"} xref: PMID:31821925 {source="Europe PMC"} xref: PMID:32437849 {source="Europe PMC"} xref: PMID:32844280 {source="Europe PMC"} xref: PMID:33400299 {source="Europe PMC"} xref: Wikipedia:Sodium_azide is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:40910 ! azide anion relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N3Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N3.Na/c1-3-2;/q-1;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXIPVTKHYLBLMZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.00990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.99899" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[N-]=[N+]=[N-]" xsd:string [Term] id: CHEBI:27856 name: acetamide namespace: chebi_ontology alt_id: CHEBI:22159 alt_id: CHEBI:2385 alt_id: CHEBI:40563 def: "A member of the class of acetamides that results from the formal condensation of acetic acid with ammonia." [] subset: 3_STAR synonym: "Acetamid" RELATED [ChEBI] synonym: "ACETAMIDE" EXACT [PDBeChem] synonym: "Acetamide" EXACT [KEGG_COMPOUND] synonym: "acetamide" EXACT [UniProt] synonym: "acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "acetic acid amide" RELATED [ChemIDplus] synonym: "Azetamid" RELATED [ChEBI] synonym: "CH3CONH2" RELATED [NIST_Chemistry_WebBook] synonym: "Essigsaeureamid" RELATED [ChEBI] synonym: "Ethanamid" RELATED [ChEBI] synonym: "ethanamide" RELATED [NIST_Chemistry_WebBook] synonym: "methanecarboxamide" RELATED [ChemIDplus] xref: Beilstein:1071207 {source="ChemIDplus"} xref: CAS:60-35-5 {source="KEGG COMPOUND"} xref: CAS:60-35-5 {source="ChemIDplus"} xref: CAS:60-35-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02736 xref: Gmelin:1500 {source="Gmelin"} xref: KEGG:C06244 xref: LINCS:LSM-37224 xref: PDBeChem:ACM xref: PPDB:1641 xref: UM-BBD_compID:c0658 {source="UM-BBD"} is_a: CHEBI:22160 ! acetamides is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:83628 ! N-acylammonia relationship: is_tautomer_of CHEBI:49028 ! acetimidic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DLFVBJFMPXGRIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.06724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.03711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(N)=O" xsd:string [Term] id: CHEBI:27864 name: 2,6-dichloro-4-nitroaniline namespace: chebi_ontology alt_id: CHEBI:19392 alt_id: CHEBI:941 def: "A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union." [] subset: 3_STAR synonym: "1-amino-2,6-dichloro-4-nitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "2,6-dichloro-4-nitroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-dichloro-4-nitrobenzenamine" RELATED [ChemIDplus] synonym: "4-nitro-2,6-dichloroaniline" RELATED [ChemIDplus] synonym: "Allisan" RELATED BRAND_NAME [ChemIDplus] synonym: "Batran" RELATED BRAND_NAME [ChemIDplus] synonym: "Bortran" RELATED BRAND_NAME [ChemIDplus] synonym: "Botran" RELATED BRAND_NAME [ChemIDplus] synonym: "CNA" RELATED [NIST_Chemistry_WebBook] synonym: "DCNA" RELATED [KEGG_COMPOUND] synonym: "Dichloran" RELATED [KEGG_COMPOUND] synonym: "dicloran" RELATED [ChemIDplus] synonym: "Ditranil" RELATED BRAND_NAME [ChemIDplus] synonym: "Resisan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] xref: AGR:IND44384091 {source="Europe PMC"} xref: CAS:99-30-9 {source="ChemIDplus"} xref: CAS:99-30-9 {source="NIST Chemistry WebBook"} xref: CAS:99-30-9 {source="KEGG COMPOUND"} xref: KEGG:C11000 xref: Pesticides:dicloran {source="Alan Wood's Pesticides"} xref: PMID:1692105 {source="Europe PMC"} xref: PMID:2625222 {source="Europe PMC"} xref: PMID:8720094 {source="Europe PMC"} xref: PPDB:222 xref: Reaxys:1459581 {source="Reaxys"} is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25550 ! nitroaniline is_a: CHEBI:87034 ! aromatic fungicide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Cl2N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BIXZHMJUSMUDOQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "207.01400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "205.96498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O" xsd:string [Term] id: CHEBI:27869 name: chloroacetic acid namespace: chebi_ontology alt_id: CHEBI:23125 alt_id: CHEBI:3622 def: "A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent." [] subset: 3_STAR synonym: "2-chloro-acetic acid" RELATED [LIPID_MAPS] synonym: "2-chloro-ethanoic acid" RELATED [LIPID_MAPS] synonym: "2-chloroacetic acid" RELATED [ChEBI] synonym: "Acide chloracetique" RELATED [ChemIDplus] synonym: "Acide chloroacetique" RELATED [ChemIDplus] synonym: "Acide monochloracetique" RELATED [ChemIDplus] synonym: "alpha-chloro-acetic acid" RELATED [ChEBI] synonym: "CAA" RELATED [ChEBI] synonym: "chloracetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Chloroacetic acid" EXACT [KEGG_COMPOUND] synonym: "chloroacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chloroethanoic acid" RELATED [KEGG_COMPOUND] synonym: "Monochloressigsaeure" RELATED [ChemIDplus] synonym: "monochloroacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "monochloroethanoic acid" RELATED [NIST_Chemistry_WebBook] xref: CAS:79-11-8 {source="KEGG COMPOUND"} xref: CAS:79-11-8 {source="NIST Chemistry WebBook"} xref: CAS:79-11-8 {source="ChemIDplus"} xref: HMDB:HMDB0031331 xref: KEGG:C06755 xref: KEGG:D07677 xref: LIPID_MAPS_instance:LMFA01090068 {source="LIPID MAPS"} xref: MetaCyc:CHLOROACETIC-ACID xref: PDBeChem:R3W xref: Pesticides:monochloroacetic%20acid {source="Alan Wood's Pesticides"} xref: PMID:12359395 {source="Europe PMC"} xref: PMID:15033542 {source="Europe PMC"} xref: PMID:16647117 {source="Europe PMC"} xref: PMID:17490874 {source="Europe PMC"} xref: PMID:23103613 {source="Europe PMC"} xref: PMID:25451595 {source="Europe PMC"} xref: Reaxys:605438 {source="Reaxys"} is_a: CHEBI:16277 ! haloacetic acid is_a: CHEBI:36685 ! chlorocarboxylic acid relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:24527 ! herbicide relationship: is_conjugate_acid_of CHEBI:23123 ! chloroacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3ClO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FOCAUTSVDIKZOP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.49700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.98216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCl" xsd:string [Term] id: CHEBI:27871 name: chloroacetaldehyde namespace: chebi_ontology alt_id: CHEBI:23122 alt_id: CHEBI:3621 def: "Acetaldehyde substituted at C-2 by chlorine." [] subset: 3_STAR synonym: "2-Chloro-1-ethanal" RELATED [ChemIDplus] synonym: "2-Chloroethanal" RELATED [KEGG_COMPOUND] synonym: "Chloroacetaldehyde" EXACT [KEGG_COMPOUND] synonym: "chloroacetaldehyde" EXACT [UniProt] synonym: "chloroacetaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Chloroaldehyde" RELATED [ChEBI] synonym: "Monochloroacetaldehyde" RELATED [ChemIDplus] xref: Beilstein:1071226 {source="Beilstein"} xref: CAS:107-20-0 {source="ChemIDplus"} xref: CAS:107-20-0 {source="NIST Chemistry WebBook"} xref: CAS:107-20-0 {source="KEGG COMPOUND"} xref: KEGG:C06754 xref: UM-BBD_compID:c0003 {source="UM-BBD"} is_a: CHEBI:36683 ! organochlorine compound relationship: has_functional_parent CHEBI:15343 ! acetaldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSKPIOLLBIHNAC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.49800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.98724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)CCl" xsd:string [Term] id: CHEBI:27878 name: 2-naphthylamine namespace: chebi_ontology alt_id: CHEBI:1223 alt_id: CHEBI:19723 def: "A naphthylamine carrying the amino group at position 2." [] subset: 3_STAR synonym: "2-Aminonaphthalene" RELATED [KEGG_COMPOUND] synonym: "2-naftilamina" RELATED [ChEBI] synonym: "2-Naphthalenamine" RELATED [KEGG_COMPOUND] synonym: "2-Naphthylamin" RELATED [ChemIDplus] synonym: "2-Naphthylamine" EXACT [KEGG_COMPOUND] synonym: "6-naphthylamine" RELATED [ChemIDplus] synonym: "beta-naftilamina" RELATED [NIST_Chemistry_WebBook] synonym: "beta-Naphthylamin" RELATED [NIST_Chemistry_WebBook] synonym: "beta-naphthylamine" RELATED [NIST_Chemistry_WebBook] synonym: "BNA" RELATED [ChemIDplus] synonym: "naphthalen-2-amine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:606264 {source="Beilstein"} xref: CAS:91-59-8 {source="ChemIDplus"} xref: CAS:91-59-8 {source="KEGG COMPOUND"} xref: CAS:91-59-8 {source="NIST Chemistry WebBook"} xref: Gmelin:165176 {source="Gmelin"} xref: HMDB:HMDB0041802 xref: KEGG:C02227 xref: PMID:11233991 {source="Europe PMC"} xref: PMID:12149138 {source="Europe PMC"} xref: Reaxys:606264 {source="Reaxys"} xref: Wikipedia:2-Naphthylamine is_a: CHEBI:50448 ! naphthylamine relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBIJLHTVPXGSAM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.18520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:27881 name: resveratrol name: resveratrol namespace: chebi_ontology alt_id: CHEBI:11685 alt_id: CHEBI:1366 alt_id: CHEBI:19867 def: "A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups." [] subset: 3_STAR synonym: "3,4',5-Trihydroxystilbene" RELATED [KEGG_COMPOUND] synonym: "5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Resveratrol" EXACT [KEGG_COMPOUND] xref: Beilstein:1912433 {source="Beilstein"} xref: CAS:501-36-0 {source="KEGG COMPOUND"} xref: DrugBank:DB02709 xref: KEGG:C03582 xref: LINCS:LSM-2557 xref: PMID:12939617 {source="Europe PMC"} xref: PMID:16461283 {source="Europe PMC"} is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:33572 ! resorcinols is_a: CHEBI:36027 ! stilbenol relationship: has_role CHEBI:140922 ! glioma-associated oncogene inhibitor relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:26115 ! phytoalexin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LUKBXSAWLPMMSZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.24328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.07864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27899 name: cisplatin namespace: chebi_ontology alt_id: CHEBI:23314 alt_id: CHEBI:3722 def: "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups)." [] subset: 3_STAR synonym: "(SP-4-2)-diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "(SP-4-2)-diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "[PtCl2(NH3)2]" RELATED [KEGG_COMPOUND] synonym: "Briplatin" RELATED BRAND_NAME [ChemIDplus] synonym: "CDDP" RELATED [KEGG_COMPOUND] synonym: "cis-[PtCl2(NH3)2]" RELATED [MolBase] synonym: "cis-DDP" RELATED [ChemIDplus] synonym: "cis-diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diamminedichloroplatinum" RELATED [ChemIDplus] synonym: "cis-Diamminedichloroplatinum(II)" RELATED [KEGG_COMPOUND] synonym: "cis-diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diammineplatinum(II) dichloride" RELATED [ChemIDplus] synonym: "cis-dichlorodiammineplatinum(II)" RELATED [ChemIDplus] synonym: "cis-platin" RELATED [ChEBI] synonym: "Cismaplat" RELATED BRAND_NAME [DrugBank] synonym: "Cisplatin" EXACT [KEGG_COMPOUND] synonym: "cisplatin" RELATED INN [ChemIDplus] synonym: "cisplatine" RELATED INN [ChemIDplus] synonym: "cisplatino" RELATED INN [ChemIDplus] synonym: "cisplatinum" RELATED INN [ChemIDplus] synonym: "Lederplatin" RELATED BRAND_NAME [DrugBank] synonym: "Neoplatin" RELATED BRAND_NAME [DrugBank] synonym: "Peyrone's chloride" RELATED [ChemIDplus] synonym: "Peyrone's salt" RELATED [ChEBI] synonym: "Platamine" RELATED [DrugBank] synonym: "Platinex" RELATED BRAND_NAME [DrugBank] synonym: "Platinol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Randa" RELATED BRAND_NAME [DrugBank] xref: CAS:15663-27-1 {source="ChemIDplus"} xref: CAS:15663-27-1 {source="KEGG COMPOUND"} xref: DrugBank:DB00515 xref: Gmelin:2519 {source="Gmelin"} xref: HMDB:HMDB0014656 xref: KEGG:C06911 xref: KEGG:D00275 xref: MetaCyc:CPD0-1392 xref: MolBase:25 xref: Patent:DE2318020 xref: Patent:DE2329485 xref: PMID:10883661 {source="Europe PMC"} xref: PMID:12537968 {source="Europe PMC"} xref: PMID:12831510 {source="Europe PMC"} xref: PMID:12935404 {source="Europe PMC"} xref: PMID:16327988 {source="Europe PMC"} xref: PMID:18472761 {source="Europe PMC"} xref: PMID:1855275 {source="Europe PMC"} xref: PMID:23554447 {source="Europe PMC"} xref: PMID:23604226 {source="Europe PMC"} xref: PMID:23651576 {source="Europe PMC"} xref: PMID:28494534 {source="Europe PMC"} xref: Reaxys:11324567 {source="Reaxys"} xref: Wikipedia:Cisplatin is_a: CHEBI:51214 ! diamminedichloroplatinum relationship: has_role CHEBI:173085 ! ferroptosis inducer relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:47868 ! photosensitizing agent relationship: has_role CHEBI:50684 ! cross-linking reagent relationship: has_role CHEBI:61015 ! nephrotoxin relationship: has_role CHEBI:68495 ! apoptosis inducer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2H6N2Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H6Cl2N2Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LXZZYRPGZAFOLE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.04452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.95560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]" xsd:string [Term] id: CHEBI:27902 name: tetracycline namespace: chebi_ontology alt_id: CHEBI:26894 alt_id: CHEBI:45729 alt_id: CHEBI:9474 def: "A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria." [] subset: 3_STAR synonym: "(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide" RELATED [ChemIDplus] synonym: "(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "Abramycin" RELATED [ChemIDplus] synonym: "Achromycin" RELATED [ChEBI] synonym: "Anhydrotetracycline" RELATED [DrugBank] synonym: "Deschlorobiomycin" RELATED [ChemIDplus] synonym: "Liquamycin" RELATED [ChemIDplus] synonym: "Tetracyclin" RELATED [ChEBI] synonym: "TETRACYCLINE" EXACT [PDBeChem] synonym: "Tetracycline" EXACT [KEGG_COMPOUND] synonym: "tetracycline" EXACT [ChEBI] synonym: "tetracycline" RELATED INN [ChemIDplus] synonym: "tetracyclinum" RELATED INN [ChemIDplus] synonym: "Tetrazyklin" RELATED [ChEBI] synonym: "Tsiklomitsin" RELATED [ChemIDplus] xref: Beilstein:2230417 {source="Beilstein"} xref: CAS:60-54-8 {source="ChemIDplus"} xref: CAS:60-54-8 {source="KEGG COMPOUND"} xref: Drug_Central:2611 {source="DrugCentral"} xref: DrugBank:DB00759 xref: Gmelin:1103368 {source="Gmelin"} xref: KEGG:C06570 xref: KEGG:D00201 xref: MetaCyc:CPD0-1414 xref: Patent:US2699054 xref: Patent:US2712517 xref: Patent:US2886595 xref: Patent:US3005023 xref: Patent:US3019173 xref: Patent:US3301899 xref: PDBeChem:TAC xref: PMID:11061623 {source="Europe PMC"} xref: PMID:11550419 {source="Europe PMC"} xref: PMID:11744940 {source="Europe PMC"} xref: PMID:12934399 {source="Europe PMC"} xref: PMID:14585720 {source="Europe PMC"} xref: PMID:15825421 {source="Europe PMC"} xref: PMID:15913752 {source="Europe PMC"} xref: PMID:16443056 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:16749547 {source="Europe PMC"} xref: PMID:17251127 {source="Europe PMC"} xref: PMID:17260506 {source="Europe PMC"} xref: PMID:18326855 {source="Europe PMC"} xref: PMID:18406588 {source="Europe PMC"} xref: PMID:19032078 {source="Europe PMC"} xref: PMID:19112759 {source="Europe PMC"} xref: PMID:19136803 {source="Europe PMC"} xref: PMID:25286144 {source="Europe PMC"} xref: PMID:26876942 {source="Europe PMC"} xref: Reaxys:2230417 {source="Reaxys"} xref: VSDB:1739 xref: Wikipedia:Tetracycline is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:26895 ! tetracyclines relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_acid_of CHEBI:77932 ! tetracycline zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H24N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "444.43460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "444.15327" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C" xsd:string [Term] id: CHEBI:27903 name: (2,4,5-trichlorophenoxy)acetic acid namespace: chebi_ontology alt_id: CHEBI:897 def: "A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines." [] subset: 3_STAR synonym: "(2,4,5-trichlorophenoxy)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2,4,5-Trichlorphenoxy)essigsaeure" RELATED [ChEBI] synonym: "2,4,5-T" RELATED [ChemIDplus] synonym: "2,4,5-T" RELATED [KEGG_COMPOUND] synonym: "2,4,5-Trichlorophenoxyacetic acid" RELATED [KEGG_COMPOUND] synonym: "2,4,5-Trichlorphenoxyessigsaeure" RELATED [ChEBI] synonym: "Esteron 245" RELATED [NIST_Chemistry_WebBook] synonym: "Trioxone" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2055620 {source="ChemIDplus"} xref: CAS:93-76-5 {source="NIST Chemistry WebBook"} xref: CAS:93-76-5 {source="ChemIDplus"} xref: CAS:93-76-5 {source="KEGG COMPOUND"} xref: Gmelin:434052 {source="Gmelin"} xref: KEGG:C07100 xref: LINCS:LSM-24946 xref: MetaCyc:CPD-10896 xref: Pesticides:2\,4\,5-t {source="Alan Wood's Pesticides"} xref: PMID:23085749 {source="Europe PMC"} xref: PMID:23167922 {source="Europe PMC"} xref: PPDB:1532 xref: Reaxys:2055620 {source="Reaxys"} xref: Wikipedia:2\,4\,5-Trichlorophenoxyacetic_acid is_a: CHEBI:23152 ! chlorophenoxyacetic acid is_a: CHEBI:27096 ! trichlorobenzene relationship: has_role CHEBI:23582 ! defoliant relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: is_conjugate_acid_of CHEBI:19331 ! (2,4,5-trichlorophenoxy)acetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5Cl3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SMYMJHWAQXWPDB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.48160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "253.93043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)COc1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:27909 name: paraldehyde namespace: chebi_ontology alt_id: CHEBI:25854 alt_id: CHEBI:7920 def: "A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6." [] subset: 3_STAR synonym: "1,3,5-trimethyl-2,4,6-trioxane" RELATED [ChemIDplus] synonym: "2,4,6-trimethyl-1,3,5-trioxane" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,6-trimethyl-s-trioxane" RELATED [ChemIDplus] synonym: "acetaldehyde trimer" RELATED [NIST_Chemistry_WebBook] synonym: "paraacetaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "paracetaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Paral" RELATED [NIST_Chemistry_WebBook] synonym: "Paraldehyd" RELATED [ChemIDplus] synonym: "Paraldehyde" EXACT [KEGG_COMPOUND] xref: Beilstein:80142 {source="Beilstein"} xref: CAS:123-63-7 {source="KEGG COMPOUND"} xref: CAS:123-63-7 {source="ChemIDplus"} xref: CAS:123-63-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:2058 {source="DrugCentral"} xref: Gmelin:26743 {source="Gmelin"} xref: HMDB:HMDB0032456 xref: KEGG:C07834 xref: KEGG:D00705 xref: PMID:13226912 {source="Europe PMC"} xref: PMID:13265663 {source="Europe PMC"} xref: PMID:13340987 {source="Europe PMC"} xref: PMID:17364860 {source="Europe PMC"} xref: PMID:23118657 {source="Europe PMC"} xref: Reaxys:80142 {source="Reaxys"} xref: Wikipedia:Paraldehyde is_a: CHEBI:38044 ! trioxane relationship: has_role CHEBI:35717 ! sedative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SQYNKIJPMDEDEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.15768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.07864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1OC(C)OC(C)O1" xsd:string [Term] id: CHEBI:27924 name: phenylhydrazine namespace: chebi_ontology alt_id: CHEBI:25995 alt_id: CHEBI:44985 alt_id: CHEBI:8099 def: "A phenylhydrazine that is the monophenyl derivative of hydrazine." [] subset: 3_STAR synonym: "1-PHENYLHYDRAZINE" RELATED [PDBeChem] synonym: "Hydrazinobenzene" RELATED [KEGG_COMPOUND] synonym: "hydrazobenzene" RELATED [ChemIDplus] synonym: "monophenylhydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "Phenyldiazane" RELATED [KEGG_COMPOUND] synonym: "Phenylhydrazin" RELATED [NIST_Chemistry_WebBook] synonym: "Phenylhydrazine" EXACT [KEGG_COMPOUND] synonym: "phenylhydrazine" EXACT IUPAC_NAME [IUPAC] synonym: "PhNHNH2" RELATED [ChEBI] xref: Beilstein:606080 {source="Beilstein"} xref: CAS:100-63-0 {source="NIST Chemistry WebBook"} xref: CAS:100-63-0 {source="ChemIDplus"} xref: CAS:100-63-0 {source="KEGG COMPOUND"} xref: Gmelin:26849 {source="Gmelin"} xref: KEGG:C02304 xref: MetaCyc:PHENYLHYDRAZINE xref: PDBeChem:PHZ xref: PMID:19627281 {source="Europe PMC"} xref: PMID:20585853 {source="Europe PMC"} xref: PMID:7144447 {source="Europe PMC"} xref: Reaxys:606080 {source="Reaxys"} xref: Wikipedia:Phenylhydrazine is_a: CHEBI:25996 ! phenylhydrazines relationship: has_role CHEBI:35703 ! xenobiotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKOOXMFOFWEVGF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.14120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NNc1ccccc1" xsd:string [Term] id: CHEBI:27928 name: parathion namespace: chebi_ontology alt_id: CHEBI:25857 alt_id: CHEBI:7927 subset: 3_STAR synonym: "diethyl p-nitrophenyl thiophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "diethyl parathion" RELATED [NIST_Chemistry_WebBook] synonym: "DNTP" RELATED [KEGG_COMPOUND] synonym: "ethyl parathion" RELATED [NIST_Chemistry_WebBook] synonym: "O,O-diethyl O-(4-nitrophenyl) phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-diethyl O-(4-nitrophenyl) thiophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "O,O-diethyl O-(p-nitrophenyl) thiophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "O,O-Diethyl O-p-nitrophenyl phosphorothioate" RELATED [KEGG_COMPOUND] synonym: "Parathion" EXACT [KEGG_COMPOUND] synonym: "phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester" RELATED [NIST_Chemistry_WebBook] synonym: "Thiophos" RELATED [KEGG_COMPOUND] xref: Beilstein:2059093 {source="Beilstein"} xref: CAS:56-38-2 {source="ChemIDplus"} xref: CAS:56-38-2 {source="NIST Chemistry WebBook"} xref: CAS:56-38-2 {source="KEGG COMPOUND"} xref: KEGG:C06604 xref: PPDB:506 xref: UM-BBD_compID:c0084 {source="UM-BBD"} is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:16836 ! 4-nitrophenol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14NO5PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCCNCVORNKJIRZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.26166" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.03303" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:27933 name: beta-lactam antibiotic namespace: chebi_ontology alt_id: CHEBI:10427 alt_id: CHEBI:22844 def: "An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring." [] subset: 3_STAR synonym: "beta-Lactam antibiotics" RELATED [KEGG_COMPOUND] synonym: "beta-lactam antibiotics" RELATED [ChEBI] xref: KEGG:C03438 xref: PMID:19254642 {source="Europe PMC"} xref: PMID:22594007 {source="Europe PMC"} xref: Wikipedia:Beta-lactam_antibiotic is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:35627 ! beta-lactam [Term] id: CHEBI:27941 name: pullulan comment: LanguaL term definition: Food additive; technological purpose(s): film-forming agent, glazing agent. xref: Codex:\:1204 xref: Europe:\:1204 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4447 is_a: CHEBI:26384 ! pullulans is_a: CHEBI:72813 ! exopolysaccharide is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "pullulan" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:27958 name: cocaine namespace: chebi_ontology alt_id: CHEBI:23346 alt_id: CHEBI:3801 alt_id: CHEBI:41642 def: "A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca." [] subset: 3_STAR synonym: "(-)-cocaine" RELATED [ChEBI] synonym: "(1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)" RELATED [NIST_Chemistry_WebBook] synonym: "[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Benzoylmethylecgonine" RELATED [ChemIDplus] synonym: "beta-Cocain" RELATED [KEGG_COMPOUND] synonym: "Cocain" RELATED [DrugBank] synonym: "Cocaina" RELATED [DrugBank] synonym: "COCAINE" EXACT [PDBeChem] synonym: "Cocaine" EXACT [KEGG_COMPOUND] synonym: "cocainum" RELATED [ChEBI] synonym: "Kokain" RELATED [ChemIDplus] synonym: "Kokain" RELATED [ChEBI] synonym: "l-Cocain" RELATED [KEGG_COMPOUND] synonym: "l-cocaine" RELATED [ChemIDplus] synonym: "methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate" RELATED [ChEBI] synonym: "methyl benzoylecgonine" RELATED [ChemIDplus] synonym: "Neurocaine" RELATED [ChemIDplus] xref: Beilstein:3621912 "Beilstein" xref: Beilstein:3621912 {source="Beilstein"} xref: Beilstein:5291037 "Beilstein" xref: Beilstein:5291037 {source="Beilstein"} xref: Beilstein:91034 "Beilstein" xref: Beilstein:91034 {source="Beilstein"} xref: CAS:50-36-2 "NIST Chemistry WebBook" xref: CAS:50-36-2 {source="NIST Chemistry WebBook"} xref: CAS:50-36-2 {source="ChemIDplus"} xref: CAS:50-36-2 {source="KEGG COMPOUND"} xref: Drug_Central:723 "DrugCentral" xref: Drug_Central:723 {source="DrugCentral"} xref: DrugBank:DB00907 xref: Gmelin:170209 "Gmelin" xref: Gmelin:170209 {source="Gmelin"} xref: KEGG:C01416 xref: KEGG:D00110 xref: KNApSAcK:C00002285 xref: MetaCyc:CPD-9776 xref: PDBeChem:COC xref: PMID:11416615 "Europe PMC" xref: PMID:11416615 {source="Europe PMC"} xref: PMID:11853120 "Europe PMC" xref: PMID:11853120 {source="Europe PMC"} xref: PMID:14962054 "Europe PMC" xref: PMID:14962054 {source="Europe PMC"} xref: PMID:17551070 "Europe PMC" xref: PMID:17551070 {source="Europe PMC"} xref: PMID:19536276 "Europe PMC" xref: PMID:19536276 {source="Europe PMC"} xref: PMID:21150772 "Europe PMC" xref: PMID:21150772 {source="Europe PMC"} xref: PMID:25303034 "Europe PMC" xref: PMID:25303034 {source="Europe PMC"} xref: Reaxys:5291037 {source="Reaxys"} xref: Reaxys:5291037 "Reaxys" xref: Reaxys:91034 {source="Reaxys"} xref: Reaxys:91034 "Reaxys" xref: Wikipedia:Cocaine is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:36054 ! benzoate ester is_a: CHEBI:37332 ! tropane alkaloid is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:35337 ! central nervous system stimulant relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36333 ! local anaesthetic relationship: has_role CHEBI:38633 ! sodium channel blocker relationship: has_role CHEBI:50514 ! vasoconstrictor agent relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:60056 ! cocaine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZPUCINDJVBIVPJ-LJISPDSOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.35290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.14706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C" xsd:string [Term] id: CHEBI:27977 name: erythronolide B namespace: chebi_ontology alt_id: CHEBI:23954 alt_id: CHEBI:4847 subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "12-deoxyerythronolide A" RELATED [ChemIDplus] synonym: "Erythronolid B" RELATED [ChEBI] synonym: "Erythronolide B" EXACT [KEGG_COMPOUND] synonym: "erythronolide B" EXACT [UniProt] xref: Beilstein:1354077 {source="Beilstein"} xref: CAS:3225-82-9 {source="ChemIDplus"} xref: KEGG:C06635 is_a: CHEBI:23955 ! erythronolide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H38O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H38O7/c1-8-15-11(3)17(23)12(4)16(22)10(2)9-21(7,27)19(25)13(5)18(24)14(6)20(26)28-15/h10-15,17-19,23-25,27H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,17+,18+,19-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFBRGCCVTUPRFQ-HWRKYNCUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "402.52222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "402.26175" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C" xsd:string [Term] id: CHEBI:27991 name: benzonitrile namespace: chebi_ontology alt_id: CHEBI:22725 alt_id: CHEBI:3033 def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group." [] subset: 3_STAR synonym: "benzenenitrile" RELATED [NIST_Chemistry_WebBook] synonym: "benzoic acid nitrile" RELATED [NIST_Chemistry_WebBook] synonym: "Benzonitrile" EXACT [KEGG_COMPOUND] synonym: "benzonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "C6H5-CN" RELATED [IUPAC] synonym: "Cyanobenzene" RELATED [KEGG_COMPOUND] synonym: "Phenyl cyanide" RELATED [KEGG_COMPOUND] synonym: "phenyl cyanide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506893 {source="Beilstein"} xref: CAS:100-47-0 {source="ChemIDplus"} xref: CAS:100-47-0 {source="NIST Chemistry WebBook"} xref: CAS:100-47-0 {source="KEGG COMPOUND"} xref: Gmelin:2653 {source="Gmelin"} xref: KEGG:C09814 xref: MetaCyc:CPD-15582 xref: PMID:24129580 {source="Europe PMC"} xref: UM-BBD_compID:c0367 {source="UM-BBD"} xref: Wikipedia:Benzonitrile is_a: CHEBI:18379 ! nitrile is_a: CHEBI:22712 ! benzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JFDZBHWFFUWGJE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.12134" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#Cc1ccccc1" xsd:string [Term] id: CHEBI:27998 name: tungsten namespace: chebi_ontology alt_id: CHEBI:27170 alt_id: CHEBI:9779 subset: 3_STAR synonym: "74W" RELATED [IUPAC] synonym: "Tungsten" EXACT [KEGG_COMPOUND] synonym: "tungsten" EXACT IUPAC_NAME [IUPAC] synonym: "tungsten atom" RELATED [ChEBI] synonym: "tungstene" RELATED [ChEBI] synonym: "tungsteno" RELATED [ChEBI] synonym: "volframio" RELATED [ChEBI] synonym: "W" RELATED [UniProt] synonym: "W" RELATED [IUPAC] synonym: "Wolfram" RELATED [NIST_Chemistry_WebBook] synonym: "wolfram" EXACT IUPAC_NAME [IUPAC] synonym: "wolframio" RELATED [ChEBI] synonym: "wolframium" RELATED [ChEBI] xref: CAS:7440-33-7 {source="NIST Chemistry WebBook"} xref: CAS:7440-33-7 {source="ChemIDplus"} xref: CAS:7440-33-7 {source="KEGG COMPOUND"} xref: Gmelin:16317 {source="Gmelin"} xref: KEGG:C00753 xref: PDBeChem:W xref: WebElements:W is_a: CHEBI:33350 ! chromium group element atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "W" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/W" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFKWXMTUELFFGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.84000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.95093" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[W]" xsd:string [Term] id: CHEBI:28024 name: cyanic acid namespace: chebi_ontology alt_id: CHEBI:23422 alt_id: CHEBI:3968 subset: 3_STAR synonym: "[C(N)OH]" RELATED [IUPAC] synonym: "acide cyanique" RELATED [ChEBI] synonym: "acido cianico" RELATED [ChEBI] synonym: "acidum cyanicum" RELATED [ChEBI] synonym: "Cyanic acid" EXACT [KEGG_COMPOUND] synonym: "Cyansaeure" RELATED [ChEBI] synonym: "HOCN" RELATED [IUPAC] synonym: "hydrogen nitridooxocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidonitridocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "nitridooxocarbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Zyansaeure" RELATED [ChEBI] xref: Beilstein:1732479 {source="Beilstein"} xref: CAS:420-05-3 {source="ChemIDplus"} xref: CAS:420-05-3 {source="NIST Chemistry WebBook"} xref: CAS:420-05-3 {source="KEGG COMPOUND"} xref: Chemspider:525 xref: Gmelin:839 {source="Gmelin"} xref: KEGG:C01417 xref: PDBeChem:0NM xref: PMID:12573832 {source="Europe PMC"} xref: PMID:12590561 {source="Europe PMC"} xref: PMID:16743625 {source="Europe PMC"} xref: PMID:16744204 {source="Europe PMC"} xref: PMID:19624192 {source="Europe PMC"} xref: PMID:20261791 {source="Europe PMC"} xref: PMID:20261792 {source="Europe PMC"} xref: PMID:20340793 {source="Europe PMC"} xref: PMID:237898 {source="Europe PMC"} xref: PMID:4368066 {source="Europe PMC"} xref: PMID:6493050 {source="Europe PMC"} is_a: CHEBI:23423 ! pseudohalogen oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:29195 ! cyanate relationship: is_tautomer_of CHEBI:29202 ! isocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNO/c2-1-3/h3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLJMAIOERFSOGZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC#N" xsd:string [Term] id: CHEBI:28044 name: phenylalanine namespace: chebi_ontology alt_id: CHEBI:25984 alt_id: CHEBI:8089 def: "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Phenylalanine" RELATED [KEGG_COMPOUND] synonym: "F" RELATED [ChEBI] synonym: "fenilalanina" RELATED [ChEBI] synonym: "PHE" RELATED [ChEBI] synonym: "Phenylalanin" RELATED [ChEBI] synonym: "Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "phenylalanine" EXACT [ChEBI] synonym: "phenylalanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1910407 {source="Beilstein"} xref: CAS:150-30-1 {source="ChemIDplus"} xref: CAS:150-30-1 {source="NIST Chemistry WebBook"} xref: Gmelin:50836 {source="Gmelin"} xref: KEGG:C02057 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1910407 {source="Reaxys"} xref: Wikipedia:Phenylalanine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid relationship: has_part CHEBI:22744 ! benzyl group relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_acid_of CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:32505 ! phenylalaninium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28054 name: o-cresol namespace: chebi_ontology alt_id: CHEBI:10609 alt_id: CHEBI:25617 def: "A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene." [] subset: 3_STAR synonym: "1-hydroxy-2-methylbenzene" RELATED [ChemIDplus] synonym: "2-cresol" RELATED [ChemIDplus] synonym: "2-hydroxy-1-methylbenzene" RELATED [ChemIDplus] synonym: "2-Hydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "2-hydroxytoluene" RELATED [UniProt] synonym: "2-hydroxytoluene" RELATED [ChemIDplus] synonym: "2-methylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "o-Cresol" EXACT [KEGG_COMPOUND] synonym: "o-cresylic acid" RELATED [ChemIDplus] synonym: "o-Kresol" RELATED [NIST_Chemistry_WebBook] synonym: "o-Methylphenol" RELATED [KEGG_COMPOUND] synonym: "ortho-cresol" RELATED [ChemIDplus] synonym: "orthocresol" RELATED [ChemIDplus] xref: Beilstein:506917 {source="Beilstein"} xref: CAS:95-48-7 {source="NIST Chemistry WebBook"} xref: CAS:95-48-7 {source="ChemIDplus"} xref: CAS:95-48-7 {source="KEGG COMPOUND"} xref: Gmelin:101619 {source="Gmelin"} xref: HMDB:HMDB0002055 xref: KEGG:C01542 xref: KNApSAcK:C00030878 xref: PDBeChem:JZ0 xref: PMID:15687000 {source="Europe PMC"} xref: Reaxys:506917 {source="Reaxys"} xref: UM-BBD_compID:c0281 {source="UM-BBD"} xref: Wikipedia:O-Cresol is_a: CHEBI:25399 ! cresol relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWVGKYWNOKOFNN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.13780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1O" xsd:string [Term] id: CHEBI:28057 name: amylopectin namespace: chebi_ontology alt_id: CHEBI:22538 alt_id: CHEBI:2693 def: "A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues." [] subset: 3_STAR synonym: "Amylopectin" EXACT [] xref: CAS:9037-22-3 xref: KEGG:C00317 is_a: CHEBI:18154 ! polysaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28063 name: o-xylene namespace: chebi_ontology alt_id: CHEBI:10611 alt_id: CHEBI:25623 alt_id: CHEBI:44697 def: "A xylene substituted by methyl groups at positions 1 and 2." [] subset: 3_STAR synonym: "1,2-dimethylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dimethylbenzol" RELATED [ChEBI] synonym: "1,2-xylene" EXACT IUPAC_NAME [IUPAC] synonym: "2-xylene" RELATED [ChemIDplus] synonym: "3,4-xylene" RELATED [NIST_Chemistry_WebBook] synonym: "o-Dimethylbenzene" RELATED [KEGG_COMPOUND] synonym: "o-Methyltoluene" RELATED [KEGG_COMPOUND] synonym: "o-Xylene" EXACT [KEGG_COMPOUND] synonym: "o-Xylol" RELATED [ChemIDplus] synonym: "ORTHO-XYLENE" RELATED [PDBeChem] synonym: "ortho-xylene" RELATED [MetaCyc] xref: Beilstein:1815558 {source="Beilstein"} xref: CAS:95-47-6 {source="KEGG COMPOUND"} xref: CAS:95-47-6 {source="NIST Chemistry WebBook"} xref: CAS:95-47-6 {source="ChemIDplus"} xref: Chemspider:6967 xref: DrugBank:DB03029 xref: FooDB:FDB005819 xref: Gmelin:67796 {source="Gmelin"} xref: HMDB:HMDB0059851 xref: KEGG:C07212 xref: KNApSAcK:C00056020 xref: MetaCyc:CPD-1421 xref: PDBeChem:OXE xref: PMID:10598955 {source="Europe PMC"} xref: PMID:11357330 {source="Europe PMC"} xref: PMID:18656653 {source="Europe PMC"} xref: PMID:19167006 {source="Europe PMC"} xref: PMID:22960059 {source="Europe PMC"} xref: PMID:24246944 {source="Europe PMC"} xref: PMID:24421258 {source="Europe PMC"} xref: PMID:28621498 {source="Europe PMC"} xref: PMID:31911380 {source="Europe PMC"} xref: PMID:33465657 {source="Europe PMC"} xref: PMID:7399721 {source="Europe PMC"} xref: PMID:7691530 {source="Europe PMC"} xref: Reaxys:1815558 {source="Reaxys"} xref: UM-BBD_compID:c0248 {source="UM-BBD"} xref: Wikipedia:O-Xylene is_a: CHEBI:27338 ! xylene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CTQNGGLPUBDAKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.16500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1C" xsd:string [Term] id: CHEBI:28073 name: chromium atom namespace: chebi_ontology alt_id: CHEBI:23235 alt_id: CHEBI:3678 def: "A chromium group element atom that has atomic number 24." [] subset: 3_STAR synonym: "24Cr" RELATED [IUPAC] synonym: "Chrom" RELATED [ChemIDplus] synonym: "chrome" RELATED [ChEBI] synonym: "Chromium" RELATED [KEGG_COMPOUND] synonym: "chromium" EXACT IUPAC_NAME [IUPAC] synonym: "chromium" RELATED [ChEBI] synonym: "Cr" RELATED [KEGG_COMPOUND] synonym: "Cr" RELATED [IUPAC] synonym: "cromo" RELATED [ChEBI] xref: CAS:7440-47-3 {source="KEGG COMPOUND"} xref: CAS:7440-47-3 {source="ChemIDplus"} xref: KEGG:C06268 xref: WebElements:Cr is_a: CHEBI:33350 ! chromium group element atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYZAMTAEIAYCRO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "51.99610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "51.94051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cr]" xsd:string [Term] id: CHEBI:28078 name: 4-chlorophenol namespace: chebi_ontology alt_id: CHEBI:1807 alt_id: CHEBI:20340 def: "A monochlorophenol substituted at the pare position by a chlorine atom." [] subset: 3_STAR synonym: "4-Chlorophenol" EXACT [KEGG_COMPOUND] synonym: "4-chlorophenol" EXACT IUPAC_NAME [IUPAC] synonym: "p-Chlorophenol" RELATED [KEGG_COMPOUND] synonym: "p-chlorophenol" RELATED [ChEBI] synonym: "Parachlorophenol" RELATED [KEGG_COMPOUND] xref: Beilstein:507004 {source="Beilstein"} xref: CAS:106-48-9 {source="ChemIDplus"} xref: CAS:106-48-9 {source="NIST Chemistry WebBook"} xref: CAS:106-48-9 {source="KEGG COMPOUND"} xref: Gmelin:2902 {source="Gmelin"} xref: KEGG:C02124 xref: KEGG:D00149 xref: LINCS:LSM-2913 xref: MetaCyc:CPD-10870 xref: PDBeChem:4CH xref: PMID:10848923 {source="Europe PMC"} xref: PMID:24279624 {source="Europe PMC"} xref: PMID:24390833 {source="Europe PMC"} xref: PMID:24473310 {source="Europe PMC"} xref: PMID:24583212 {source="Europe PMC"} xref: PMID:24725749 {source="Europe PMC"} xref: PMID:24762698 {source="Europe PMC"} xref: PMID:24794625 {source="Europe PMC"} xref: PMID:24926596 {source="Europe PMC"} xref: Reaxys:507004 {source="Reaxys"} xref: UM-BBD_compID:c0295 {source="UM-BBD"} is_a: CHEBI:38857 ! monochlorophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WXNZTHHGJRFXKQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.55600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.00289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:28088 name: genistein namespace: chebi_ontology alt_id: CHEBI:24204 alt_id: CHEBI:42763 alt_id: CHEBI:5302 def: "A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties." [] subset: 3_STAR synonym: "4',5,7-trihydroxyisoflavone" RELATED [] synonym: "5,7,4'-Trihydroxyisoflavone" RELATED [] synonym: "5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [] synonym: "5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT [] synonym: "GENISTEIN" EXACT [] synonym: "Genistein" EXACT [] synonym: "Prunetol" RELATED [] synonym: "Sophoricol" RELATED [] xref: Beilstein:263823 xref: CAS:446-72-0 xref: Chemspider:4444448 xref: DrugBank:DB01645 xref: FooDB:FDB011828 xref: HMDB:HMDB0003217 xref: KEGG:C06563 xref: KEGG:D11680 xref: KNApSAcK:C00002526 xref: LINCS:LSM-5549 xref: LIPID_MAPS_instance:LMPK12050218 xref: MetaCyc:CPD-3141 xref: PDBeChem:GEN xref: PMID:10469641 xref: PMID:10741415 xref: PMID:10912792 xref: PMID:11564287 xref: PMID:12629420 xref: PMID:14654166 xref: PMID:15196699 xref: PMID:15288519 xref: PMID:15576033 xref: PMID:15772566 xref: PMID:15833883 xref: PMID:15853412 xref: PMID:16061678 xref: PMID:16166295 xref: PMID:17004897 xref: PMID:17979711 xref: PMID:18344977 xref: PMID:18413741 xref: PMID:18490856 xref: PMID:18815740 xref: PMID:19107852 xref: PMID:19402570 xref: PMID:20211733 xref: PMID:22303062 xref: PMID:24023812 xref: PMID:24297371 xref: PMID:24379139 xref: PMID:25593647 xref: PMID:26322379 xref: PMID:28166217 xref: PMID:28259640 xref: PMID:34314575 xref: Reaxys:263823 xref: Wikipedia:Genistein is_a: CHEBI:38755 ! hydroxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TZBJGXHYKVUXJN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28097 name: chlorobenzene namespace: chebi_ontology alt_id: CHEBI:23131 alt_id: CHEBI:3623 def: "The simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine." [] subset: 3_STAR synonym: "Benzene chloride" RELATED [KEGG_COMPOUND] synonym: "Chlorobenzene" EXACT [KEGG_COMPOUND] synonym: "chlorobenzene" EXACT [UniProt] synonym: "chlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "Monochlorbenzol" RELATED [ChemIDplus] synonym: "Monochlorobenzene" RELATED [KEGG_COMPOUND] synonym: "PhCl" RELATED [ChEBI] synonym: "Phenyl chloride" RELATED [KEGG_COMPOUND] xref: Beilstein:605632 {source="Beilstein"} xref: CAS:108-90-7 {source="KEGG COMPOUND"} xref: CAS:108-90-7 {source="NIST Chemistry WebBook"} xref: CAS:108-90-7 {source="ChemIDplus"} xref: Gmelin:26704 {source="Gmelin"} xref: HMDB:HMDB0041855 xref: KEGG:C06990 xref: MetaCyc:CHLOROBENZENE xref: PDBeChem:8CL xref: PMID:23360185 {source="Europe PMC"} xref: PMID:23957149 {source="Europe PMC"} xref: PMID:24341791 {source="Europe PMC"} xref: Reaxys:605632 {source="Reaxys"} xref: UM-BBD_compID:c0105 {source="UM-BBD"} xref: Wikipedia:Chlorobenzene is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:46787 ! solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MVPPADPHJFYWMZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.55660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.00798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1" xsd:string [Term] id: CHEBI:28112 name: nickel atom namespace: chebi_ontology alt_id: CHEBI:25515 alt_id: CHEBI:7552 def: "Chemical element (nickel group element atom) with atomic number 28." [] subset: 3_STAR synonym: "28Ni" RELATED [IUPAC] synonym: "Ni" RELATED [UniProt] synonym: "Ni" RELATED [IUPAC] synonym: "niccolum" RELATED [ChEBI] synonym: "Nickel" RELATED [ChEBI] synonym: "nickel" EXACT IUPAC_NAME [IUPAC] synonym: "nickel" RELATED [ChEBI] synonym: "niquel" RELATED [ChEBI] synonym: "Raney alloy" RELATED [ChemIDplus] xref: CAS:7440-02-0 {source="ChemIDplus"} xref: CAS:7440-02-0 {source="NIST Chemistry WebBook"} xref: CAS:7440-02-0 {source="KEGG COMPOUND"} xref: Gmelin:16229 {source="Gmelin"} xref: KEGG:C00291 xref: PMID:12756270 {source="Europe PMC"} xref: PMID:14634084 {source="Europe PMC"} xref: PMID:14734778 {source="Europe PMC"} xref: PMID:15165199 {source="Europe PMC"} xref: PMID:19828094 {source="Europe PMC"} xref: PMID:20477134 {source="Europe PMC"} xref: PMID:22762130 {source="Europe PMC"} xref: PMID:23142754 {source="Europe PMC"} xref: PMID:23317102 {source="Europe PMC"} xref: PMID:23692032 {source="Europe PMC"} xref: PMID:23692035 {source="Europe PMC"} xref: PMID:23723488 {source="Europe PMC"} xref: PMID:23834453 {source="Europe PMC"} xref: PMID:23857010 {source="Europe PMC"} xref: PMID:23895079 {source="Europe PMC"} xref: PMID:23909687 {source="Europe PMC"} xref: PMID:9060994 {source="Europe PMC"} xref: PMID:9886425 {source="Europe PMC"} xref: Reaxys:4122946 {source="Reaxys"} xref: WebElements:Ni xref: Wikipedia:Nickel is_a: CHEBI:33362 ! nickel group element atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:53000 ! epitope property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ni" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ni" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXHVJJICTQNCMI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.69340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.93534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ni]" xsd:string [Term] id: CHEBI:28119 name: 2,3,7,8-tetrachlorodibenzodioxine namespace: chebi_ontology alt_id: CHEBI:19302 alt_id: CHEBI:869 subset: 3_STAR synonym: "2,3,7,8-Tetrachlorodibenzo-p-dioxin" RELATED [KEGG_COMPOUND] synonym: "2,3,7,8-Tetrachlorodibenzodioxin" RELATED [KEGG_COMPOUND] synonym: "2,3,7,8-tetrachlorooxanthrene" EXACT IUPAC_NAME [IUPAC] synonym: "Dioxin" RELATED [ChemIDplus] synonym: "dioxine" RELATED [ChemIDplus] synonym: "PCDD 48" RELATED [KEGG_COMPOUND] synonym: "TCDD" RELATED [KEGG_COMPOUND] synonym: "Tetrachlorodibenzodioxin" RELATED [KEGG_COMPOUND] synonym: "tetradioxin" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:271116 {source="Beilstein"} xref: CAS:1746-01-6 {source="NIST Chemistry WebBook"} xref: CAS:1746-01-6 {source="ChemIDplus"} xref: CAS:1746-01-6 {source="KEGG COMPOUND"} xref: Gmelin:366537 {source="Gmelin"} xref: KEGG:C07557 xref: LINCS:LSM-37232 xref: Wikipedia:2\,3\,7\,8-Tetrachlorodibenzo-P-Dioxin is_a: CHEBI:36682 ! polychlorinated dibenzodioxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HGUFODBRKLSHSI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "321.96976" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.89654" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl" xsd:string [Term] id: CHEBI:28123 name: diethanolamine namespace: chebi_ontology alt_id: CHEBI:23706 alt_id: CHEBI:4519 def: "A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent." [] subset: 3_STAR synonym: "2,2'-iminodiethanol" EXACT IUPAC_NAME [IUPAC] synonym: "bis-(2-hydroxy-ethyl)-amine" RELATED [ChEBI] synonym: "Diethanolamine" EXACT [KEGG_COMPOUND] synonym: "diethanolamine" EXACT [IUPAC] synonym: "diolamine" RELATED [ChemIDplus] synonym: "H2dea" RELATED [IUPAC] synonym: "N,N-di(hydroxyethyl)amine" RELATED [ChemIDplus] xref: CAS:111-42-2 {source="KEGG COMPOUND"} xref: CAS:111-42-2 {source="ChemIDplus"} xref: HMDB:HMDB0004437 xref: KEGG:C06772 xref: KEGG:D02337 xref: LINCS:LSM-26236 xref: PMID:12571685 {source="Europe PMC"} xref: PMID:15304302 {source="Europe PMC"} xref: PMID:23567043 {source="Europe PMC"} xref: PMID:24275050 {source="Europe PMC"} xref: Reaxys:605315 {source="Reaxys"} xref: UM-BBD_compID:c0589 {source="UM-BBD"} xref: Wikipedia:Diethanolamine is_a: CHEBI:23981 ! ethanolamines relationship: has_functional_parent CHEBI:16000 ! ethanolamine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBCBWPMODOFKDW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.13568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCNCCO" xsd:string [Term] id: CHEBI:28124 name: 4,4'-methylene-bis-(2-chloroaniline) namespace: chebi_ontology alt_id: CHEBI:1741 alt_id: CHEBI:20264 def: "A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge." [] subset: 3_STAR synonym: "4,4'-methanediylbis(2-chloroaniline)" EXACT IUPAC_NAME [IUPAC] synonym: "Methylenebis(chloroaniline)" RELATED [KEGG_COMPOUND] synonym: "MOCA" RELATED [KEGG_COMPOUND] xref: CAS:101-14-4 {source="KEGG COMPOUND"} xref: CAS:101-14-4 {source="ChemIDplus"} xref: KEGG:C10999 xref: PMID:19447850 {source="Europe PMC"} xref: PMID:21501672 {source="Europe PMC"} xref: Reaxys:1882318 {source="Reaxys"} xref: Wikipedia:4\,4'-Methylenebis(2-chloroaniline) is_a: CHEBI:23130 ! chloroaniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H12Cl2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IBOFVQJTBBUKMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "267.15400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.03775" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl" xsd:string [Term] id: CHEBI:28143 name: digitalin namespace: chebi_ontology alt_id: CHEBI:23725 alt_id: CHEBI:4546 subset: 3_STAR synonym: "3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide" EXACT IUPAC_NAME [IUPAC] synonym: "Digitalin" EXACT [KEGG_COMPOUND] synonym: "Gitoxigenin 3-O-glucosyldigitaloside" RELATED [KEGG_COMPOUND] synonym: "Glucostrospeside" RELATED [ChemIDplus] xref: CAS:752-61-4 {source="KEGG COMPOUND"} xref: CAS:752-61-4 {source="ChemIDplus"} xref: Drug_Central:3143 {source="DrugCentral"} xref: KEGG:C08862 xref: KNApSAcK:C00003616 is_a: CHEBI:38092 ! cardenolide glycoside relationship: has_functional_parent CHEBI:38105 ! gitoxigenin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H56O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CKNOLMVLQUPVMU-YMMLYESFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "712.82144" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "712.36701" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O" xsd:string [Term] id: CHEBI:28145 name: dibenzofuran namespace: chebi_ontology alt_id: CHEBI:23680 alt_id: CHEBI:4499 def: "A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions." [] subset: 3_STAR synonym: "DBF" RELATED [UM-BBD] synonym: "dibenzo[b,d]furan" EXACT IUPAC_NAME [IUPAC] synonym: "Dibenzofuran" EXACT [KEGG_COMPOUND] synonym: "dibenzofuran" EXACT [UniProt] synonym: "Diphenylene oxide" RELATED [KEGG_COMPOUND] xref: Beilstein:121100 {source="Beilstein"} xref: CAS:132-64-9 {source="NIST Chemistry WebBook"} xref: CAS:132-64-9 {source="KEGG COMPOUND"} xref: CAS:132-64-9 {source="ChemIDplus"} xref: Gmelin:67825 {source="Gmelin"} xref: KEGG:C07729 xref: PMID:12009135 {source="Europe PMC"} xref: PMID:20686914 {source="Europe PMC"} xref: PMID:21554085 {source="Europe PMC"} xref: Reaxys:121100 {source="Reaxys"} xref: UM-BBD_compID:c0039 {source="UM-BBD"} xref: Wikipedia:Dibenzofuran is_a: CHEBI:36416 ! mancude organic heterotricyclic parent is_a: CHEBI:38180 ! polycyclic heteroarene is_a: CHEBI:38922 ! dibenzofurans relationship: has_role CHEBI:35703 ! xenobiotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TXCDCPKCNAJMEE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.19132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)oc1ccccc21" xsd:string [Term] id: CHEBI:28179 name: benzamide namespace: chebi_ontology alt_id: CHEBI:22701 alt_id: CHEBI:3021 alt_id: CHEBI:46351 def: "An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides." [] subset: 3_STAR synonym: "Benzamide" EXACT [KEGG_COMPOUND] synonym: "benzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Benzenecarboxamide" RELATED [ChemIDplus] synonym: "Benzoic acid amide" RELATED [ChemIDplus] synonym: "Benzoylamide" RELATED [ChemIDplus] synonym: "PhC(=O)NH2" RELATED [ChEBI] synonym: "PhC(O)NH2" RELATED [ChEBI] synonym: "Phenylcarboxamide" RELATED [ChemIDplus] synonym: "Phenylcarboxyamide" RELATED [ChemIDplus] xref: Beilstein:385876 {source="Beilstein"} xref: CAS:55-21-0 {source="ChemIDplus"} xref: CAS:55-21-0 {source="NIST Chemistry WebBook"} xref: CAS:55-21-0 {source="KEGG COMPOUND"} xref: HMDB:HMDB0004461 xref: KEGG:C09815 xref: PMID:20133863 {source="Europe PMC"} xref: Reaxys:385876 {source="Reaxys"} xref: UM-BBD_compID:c0368 {source="UM-BBD"} xref: Wikipedia:Benzamide is_a: CHEBI:22702 ! benzamides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDAEFPNCMNJSK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.13662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.05276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:28196 name: erythromycin B namespace: chebi_ontology alt_id: CHEBI:23949 alt_id: CHEBI:4842 def: "An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "12-deoxyerythromycin" RELATED [ChemIDplus] synonym: "beritromicina" RELATED INN [ChemIDplus] synonym: "Berythromycin" RELATED [KEGG_COMPOUND] synonym: "berythromycin" RELATED INN [ChemIDplus] synonym: "berythromycine" RELATED INN [ChemIDplus] synonym: "berythromycinum" RELATED INN [ChemIDplus] synonym: "Erythromycin B" EXACT [KEGG_COMPOUND] xref: Beilstein:5206722 {source="ChemIDplus"} xref: Beilstein:74652 {source="Beilstein"} xref: CAS:527-75-3 {source="ChemIDplus"} xref: KEGG:C06653 xref: KEGG:D03098 xref: LIPID_MAPS_instance:LMPK04000012 {source="LIPID MAPS"} xref: MetaCyc:CPD-13805 xref: Patent:CN101104631 xref: PMID:10669574 {source="Europe PMC"} xref: PMID:20381987 {source="Europe PMC"} xref: PMID:21175699 {source="Europe PMC"} xref: Reaxys:74652 {source="Reaxys"} is_a: CHEBI:48923 ! erythromycin relationship: has_functional_parent CHEBI:27977 ! erythronolide B property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H67NO12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IDRYSCOQVVUBIJ-PPGFLMPOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "717.92742" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "717.46633" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C" xsd:string [Term] id: CHEBI:28197 name: daidzein namespace: chebi_ontology alt_id: CHEBI:23558 alt_id: CHEBI:4306 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'." [] subset: 3_STAR synonym: "4',7-dihydroxyisoflavone" RELATED [] synonym: "7,4'-dihydroxyisoflavone" RELATED [] synonym: "7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone" RELATED [] synonym: "7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [] synonym: "7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT [] synonym: "Daidzein" EXACT [] synonym: "daidzeol" RELATED [] synonym: "isoaurostatin" RELATED [] xref: Beilstein:231523 xref: CAS:486-66-8 xref: HMDB:HMDB0003312 xref: KEGG:C10208 xref: KNApSAcK:C00009380 xref: LINCS:LSM-2935 xref: LIPID_MAPS_instance:LMPK12050038 xref: MetaCyc:DAIDZEIN xref: PMID:11193416 xref: PMID:16802696 xref: PMID:23267126 xref: PMID:23337939 xref: PMID:23342971 xref: PMID:23439294 xref: PMID:9544566 xref: Reaxys:231523 xref: Wikipedia:Daidzein is_a: CHEBI:38755 ! hydroxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.23750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28200 name: 2-chloroethanol namespace: chebi_ontology alt_id: CHEBI:1044 alt_id: CHEBI:19507 def: "A chloroethanol carrying a chloro substituent at position 2." [] subset: 3_STAR synonym: "2-Chloroethanol" EXACT [KEGG_COMPOUND] synonym: "2-chloroethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-chloroethanol" EXACT [UniProt] synonym: "2-chloroethyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-chloroethanol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-chloroethyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylene chlorohydrin" RELATED [KEGG_COMPOUND] synonym: "Glycol chlorohydrin" RELATED [KEGG_COMPOUND] xref: Beilstein:878139 {source="Beilstein"} xref: CAS:107-07-3 {source="ChemIDplus"} xref: CAS:107-07-3 {source="NIST Chemistry WebBook"} xref: CAS:107-07-3 {source="KEGG COMPOUND"} xref: Gmelin:25389 {source="Gmelin"} xref: KEGG:C06753 xref: PMID:20056735 {source="Europe PMC"} xref: PMID:21266185 {source="Europe PMC"} xref: PMID:767010 {source="Europe PMC"} xref: PMID:7766127 {source="Europe PMC"} xref: PMID:8462123 {source="Europe PMC"} xref: Reaxys:878139 {source="Reaxys"} xref: UM-BBD_compID:c0005 {source="UM-BBD"} xref: Wikipedia:2-Chloroethanol is_a: CHEBI:23141 ! chloroethanol relationship: has_role CHEBI:76206 ! xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SZIFAVKTNFCBPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.51320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.00289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCCl" xsd:string [Term] id: CHEBI:28201 name: rotenone namespace: chebi_ontology alt_id: CHEBI:26583 alt_id: CHEBI:8897 def: "A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica)." [] subset: 3_STAR synonym: "(-)-cis-rotenone" RELATED [ChemIDplus] synonym: "(-)-rotenone" RELATED [ChemIDplus] synonym: "(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one" RELATED [ChEBI] synonym: "(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one" EXACT IUPAC_NAME [IUPAC] synonym: "5'beta-rotenone" RELATED [NIST_Chemistry_WebBook] synonym: "[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one" RELATED [NIST_Chemistry_WebBook] synonym: "barbasco" RELATED [ChemIDplus] synonym: "canex" RELATED [ChemIDplus] synonym: "dactinol" RELATED [ChemIDplus] synonym: "Derris" RELATED [ChEBI] synonym: "noxfire" RELATED [ChemIDplus] synonym: "paraderil" RELATED [ChemIDplus] synonym: "Rotenone" EXACT [KEGG_COMPOUND] synonym: "tubatoxin" RELATED [ChemIDplus] xref: Beilstein:99070 {source="Beilstein"} xref: BPDB:587 xref: CAS:83-79-4 {source="ChemIDplus"} xref: CAS:83-79-4 {source="NIST Chemistry WebBook"} xref: CAS:83-79-4 {source="KEGG COMPOUND"} xref: DrugBank:DB11457 xref: FooDB:FDB012837 xref: HMDB:HMDB0034436 xref: KEGG:C07593 xref: KNApSAcK:C00002568 xref: LINCS:LSM-5260 xref: LIPID_MAPS_instance:LMPK12060007 {source="LIPID MAPS"} xref: Patent:CN102007944 xref: Patent:CN102090406 xref: PDBeChem:970 xref: PMID:14976342 {source="Europe PMC"} xref: PMID:15043430 {source="Europe PMC"} xref: PMID:15790535 {source="Europe PMC"} xref: PMID:17077549 {source="Europe PMC"} xref: PMID:19013527 {source="Europe PMC"} xref: PMID:32972993 {source="Europe PMC"} xref: PMID:33402167 {source="Europe PMC"} xref: PMID:33901458 {source="Europe PMC"} xref: PMID:33961406 {source="Europe PMC"} xref: Reaxys:99070 {source="Reaxys"} xref: VSDB:587 xref: Wikipedia:Rotenone is_a: CHEBI:38164 ! organic heteropentacyclic compound is_a: CHEBI:72581 ! rotenones relationship: has_role CHEBI:167183 ! piscicide relationship: has_role CHEBI:22917 ! phytogenic insecticide relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:38498 ! mitochondrial NADH:ubiquinone reductase inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H22O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUVIOZPCNVVQFO-HBGVWJBISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "394.423" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "394.14164" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC2=C3O[C@]4([H])COC5=C(C=C(OC)C(OC)=C5)[C@]4([H])C(=O)C3=CC=C2O1)C(C)=C" xsd:string [Term] id: CHEBI:28217 name: acrylonitrile namespace: chebi_ontology alt_id: CHEBI:22217 alt_id: CHEBI:2442 def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group." [] subset: 3_STAR synonym: "2-propenenitrile" RELATED [NIST_Chemistry_WebBook] synonym: "Acrylnitril" RELATED [ChemIDplus] synonym: "Acrylonitrile" EXACT [KEGG_COMPOUND] synonym: "acrylonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Acrylsaeurenitril" RELATED [ChEBI] synonym: "cyanure de vinyle" RELATED [ChemIDplus] synonym: "nitrile acrylique" RELATED [ChemIDplus] synonym: "Propenenitrile" RELATED [KEGG_COMPOUND] synonym: "Vinyl cyanide" RELATED [KEGG_COMPOUND] xref: Beilstein:605310 {source="Beilstein"} xref: CAS:107-13-1 {source="ChemIDplus"} xref: CAS:107-13-1 {source="NIST Chemistry WebBook"} xref: CAS:107-13-1 {source="KEGG COMPOUND"} xref: KEGG:C01998 xref: PDBeChem:6AC xref: PMID:12075111 {source="Europe PMC"} xref: PMID:23043843 {source="Europe PMC"} xref: PMID:24248151 {source="Europe PMC"} xref: PMID:28782019 {source="Europe PMC"} xref: PMID:28965700 {source="Europe PMC"} xref: PMID:29217572 {source="Europe PMC"} xref: PMID:29713581 {source="Europe PMC"} xref: PMID:8330351 {source="Europe PMC"} xref: PMID:9598299 {source="Europe PMC"} xref: PPDB:2545 xref: Reaxys:605310 {source="Reaxys"} xref: UM-BBD_compID:c0148 {source="UM-BBD"} is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:80291 ! aliphatic nitrile relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:76946 ! fungal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLHHRLWOUZZQLW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=CC#N" xsd:string [Term] id: CHEBI:28222 name: 1,2,4-trichlorobenzene namespace: chebi_ontology alt_id: CHEBI:18861 alt_id: CHEBI:483 def: "A trichlorobenzene with chloro substituents at positions 1, 2 and 4." [] subset: 3_STAR synonym: "1,2,4-Trichlorbenzol" RELATED [ChEBI] synonym: "1,2,4-Trichlorobenzene" EXACT [KEGG_COMPOUND] synonym: "1,2,4-trichlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,4-trichlorobenzene" EXACT [UniProt] synonym: "1,2,5-trichlorobenzene" RELATED [UM-BBD] synonym: "as-trichlorobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "Trichlorobenzene A" RELATED [KEGG_COMPOUND] synonym: "unsym-trichlorobenzene" RELATED [ChemIDplus] xref: Beilstein:956819 {source="Beilstein"} xref: CAS:120-82-1 {source="NIST Chemistry WebBook"} xref: CAS:120-82-1 {source="KEGG COMPOUND"} xref: CAS:120-82-1 {source="ChemIDplus"} xref: Gmelin:261300 {source="Gmelin"} xref: KEGG:C06594 xref: MetaCyc:124-TCB xref: PMID:16271379 {source="Europe PMC"} xref: Reaxys:956819 {source="Reaxys"} xref: UM-BBD_compID:c0465 {source="UM-BBD"} xref: Wikipedia:1\,2\,4-Trichlorobenzene is_a: CHEBI:27096 ! trichlorobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PBKONEOXTCPAFI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.44612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.93003" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:28239 name: erythromycin E namespace: chebi_ontology alt_id: CHEBI:23952 alt_id: CHEBI:4845 subset: 3_STAR synonym: "(2S,4'R,4aR,5'S,6'S,7R,8S,9R,10R,12R,14R,15R,16S,16aS)-7-ethyl-5',8,9,14-tetrahydroxy-4'-methoxy-4',6',8,10,12,14,16-heptamethyl-15-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]hexadecahydro-5H,11H-spiro[1,3-dioxino[5,4-c]oxacyclotetradecine-2,2'-pyran]-5,11-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1'',16-epoxyerythromycin" RELATED [ChemIDplus] synonym: "Erythromycin E" EXACT [KEGG_COMPOUND] xref: CAS:41451-91-6 {source="ChemIDplus"} xref: KEGG:C06634 is_a: CHEBI:48923 ! erythromycin is_a: CHEBI:71989 ! ortho ester relationship: has_functional_parent CHEBI:42355 ! erythromycin A property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H65NO14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H65NO14/c1-13-25-36(9,45)29(41)20(4)26(39)18(2)15-34(7,44)31(50-33-27(40)24(38(10)11)14-19(3)48-33)21(5)28-23(32(43)49-25)16-47-37(52-28)17-35(8,46-12)30(42)22(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PRUSTPADOGZAML-LMXGZOGMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "747.91034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "747.44051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@@H]2CO[C@@]3(C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)O[C@H]2[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:28262 name: dimethyl sulfoxide namespace: chebi_ontology alt_id: CHEBI:23801 alt_id: CHEBI:42138 alt_id: CHEBI:4612 def: "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents." [] subset: 3_STAR synonym: "(CH3)2SO" RELATED [NIST_Chemistry_WebBook] synonym: "(methanesulfinyl)methane" EXACT IUPAC_NAME [IUPAC] synonym: "DIMETHYL SULFOXIDE" EXACT [PDBeChem] synonym: "Dimethyl sulfoxide" EXACT [KEGG_COMPOUND] synonym: "dimethyl sulfoxide" EXACT [UniProt] synonym: "dimethyl sulfoxide" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyl sulfoxide" RELATED INN [ChemIDplus] synonym: "dimethyl sulfur oxide" RELATED [NIST_Chemistry_WebBook] synonym: "dimethyl sulphoxide" RELATED [ChemIDplus] synonym: "dimethyli sulfoxidum" RELATED INN [ChemIDplus] synonym: "Dimethylsulfoxid" RELATED [ChEBI] synonym: "dimethylsulfoxyde" RELATED INN [ChemIDplus] synonym: "dimetil sulfoxido" RELATED INN [ChemIDplus] synonym: "DMSO" RELATED [KEGG_COMPOUND] synonym: "dmso" RELATED [IUPAC] synonym: "methylsulfinylmethane" RELATED [ChemIDplus] synonym: "S(O)Me2" RELATED [ChEBI] synonym: "sulfinylbis(methane)" RELATED [ChemIDplus] xref: Beilstein:506008 {source="Beilstein"} xref: CAS:67-68-5 {source="NIST Chemistry WebBook"} xref: CAS:67-68-5 {source="ChemIDplus"} xref: CAS:67-68-5 {source="KEGG COMPOUND"} xref: Chemspider:659 xref: Drug_Central:906 {source="DrugCentral"} xref: DrugBank:DB01093 xref: FooDB:FDB000764 xref: Gmelin:1556 {source="Gmelin"} xref: HMDB:HMDB0002151 xref: KEGG:C11143 xref: KEGG:D01043 xref: KNApSAcK:C00053120 xref: LINCS:LSM-36361 xref: MetaCyc:DMSO xref: PDBeChem:DMS xref: PMID:10298633 {source="Europe PMC"} xref: PMID:11162043 {source="Europe PMC"} xref: PMID:11350866 {source="Europe PMC"} xref: PMID:11474739 {source="Europe PMC"} xref: PMID:12663039 {source="Europe PMC"} xref: PMID:15237653 {source="Europe PMC"} xref: PMID:15588915 {source="Europe PMC"} xref: PMID:15868171 {source="Europe PMC"} xref: PMID:16434015 {source="Europe PMC"} xref: PMID:16522014 {source="Europe PMC"} xref: PMID:19096138 {source="Europe PMC"} xref: PMID:19382398 {source="Europe PMC"} xref: PMID:19443933 {source="Europe PMC"} xref: PMID:20828537 {source="Europe PMC"} xref: PMID:21426213 {source="Europe PMC"} xref: PMID:22030943 {source="Europe PMC"} xref: PMID:22722716 {source="Europe PMC"} xref: PMID:22768202 {source="Europe PMC"} xref: PMID:22814967 {source="Europe PMC"} xref: PMID:23050031 {source="Europe PMC"} xref: PMID:23313473 {source="Europe PMC"} xref: PMID:28220525 {source="Europe PMC"} xref: PMID:29938311 {source="Europe PMC"} xref: PMID:31489176 {source="Europe PMC"} xref: PMID:3510103 {source="Europe PMC"} xref: PMID:3898376 {source="Europe PMC"} xref: PMID:3916302 {source="Europe PMC"} xref: PMID:4223708 {source="Europe PMC"} xref: PMID:4556944 {source="Europe PMC"} xref: PMID:4963226 {source="Europe PMC"} xref: PMID:6309056 {source="Europe PMC"} xref: PMID:6379027 {source="Europe PMC"} xref: Reaxys:506008 {source="Reaxys"} xref: UM-BBD_compID:c0236 {source="UM-BBD"} xref: Wikipedia:Dimethyl_sulfoxide is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22063 ! sulfoxide relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:37335 ! MRI contrast agent relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50247 ! antidote relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAZDPXIOMUYVGZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.01394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(C)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28266 name: fluorene namespace: chebi_ontology alt_id: CHEBI:24058 alt_id: CHEBI:5112 def: "An ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives" [] subset: 3_STAR synonym: "2,2'-Methylenebiphenyl" RELATED [KEGG_COMPOUND] synonym: "2,3-benzindene" RELATED [ChemIDplus] synonym: "9H-fluorene" EXACT IUPAC_NAME [IUPAC] synonym: "Diphenylenemethane" RELATED [KEGG_COMPOUND] synonym: "Fluoren" RELATED [ChEBI] synonym: "Fluorene" EXACT [KEGG_COMPOUND] synonym: "fluorene" EXACT IUPAC_NAME [IUPAC] synonym: "o-biphenylenemethane" RELATED [NIST_Chemistry_WebBook] synonym: "o-biphenylmethane" RELATED [ChemIDplus] xref: Beilstein:1363491 {source="Beilstein"} xref: CAS:86-73-7 {source="KEGG COMPOUND"} xref: CAS:86-73-7 {source="ChemIDplus"} xref: CAS:86-73-7 {source="NIST Chemistry WebBook"} xref: Chemspider:6592 xref: FooDB:FDB007671 xref: Gmelin:28451 {source="Gmelin"} xref: KEGG:C07715 xref: MetaCyc:FLUORENE xref: PDBeChem:9FL xref: PMID:15120562 {source="Europe PMC"} xref: PMID:15800860 {source="Europe PMC"} xref: PMID:16539455 {source="Europe PMC"} xref: PMID:17129129 {source="Europe PMC"} xref: PMID:17243671 {source="Europe PMC"} xref: PMID:17285163 {source="Europe PMC"} xref: PMID:17824593 {source="Europe PMC"} xref: PMID:19060398 {source="Europe PMC"} xref: PMID:21110374 {source="Europe PMC"} xref: PMID:21478643 {source="Europe PMC"} xref: PMID:23202077 {source="Europe PMC"} xref: PMID:24584240 {source="Europe PMC"} xref: PMID:24889657 {source="Europe PMC"} xref: PMID:28409789 {source="Europe PMC"} xref: Reaxys:1363491 {source="Reaxys"} xref: UM-BBD_compID:c0388 {source="UM-BBD"} xref: Wikipedia:Fluorene is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIHNNTQXNPWCJQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.223" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C2=CC=CC=C2C2=CC=CC=C12" xsd:string [Term] id: CHEBI:28300 name: glutamine namespace: chebi_ontology alt_id: CHEBI:24316 alt_id: CHEBI:5432 def: "An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4." [] subset: 3_STAR synonym: "2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "glutamic acid gamma-amide" RELATED [ChEBI] synonym: "Glutamin" RELATED [ChEBI] synonym: "Glutamine" EXACT [KEGG_COMPOUND] synonym: "glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "Hgln" RELATED [IUPAC] xref: Beilstein:1723795 {source="Beilstein"} xref: CAS:585-21-7 {source="ChemIDplus"} xref: CAS:6899-04-3 {source="KEGG COMPOUND"} xref: CAS:6899-04-3 {source="ChemIDplus"} xref: Gmelin:27318 {source="Gmelin"} xref: KEGG:C00303 xref: KNApSAcK:C00001359 xref: Reaxys:1723795 {source="Reaxys"} xref: Wikipedia:Glutamine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50331 ! 3-amino-3-oxopropyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32678 ! glutaminate relationship: is_conjugate_base_of CHEBI:32679 ! glutaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.14458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(N)=O)C(O)=O" xsd:string [Term] id: CHEBI:28304 name: heparin namespace: chebi_ontology alt_id: CHEBI:24501 alt_id: CHEBI:5664 def: "A highly sulfated linear glycosaminoglycan comprising complex patterns of uronic acid-(1->4)-D-glucosamine repeating subunits. Used as an injectable anticoagulant, it has the highest negative charge density of any known biological molecule." [] subset: 3_STAR synonym: "Bemiparin" RELATED [ChemIDplus] synonym: "Bemiparin" RELATED [KEGG_COMPOUND] synonym: "Certoparin" RELATED [ChemIDplus] synonym: "Cy 222" RELATED [ChemIDplus] synonym: "Enoxaparin" RELATED [KEGG_COMPOUND] synonym: "Fluxum" RELATED [ChemIDplus] synonym: "Heparin" EXACT [KEGG_COMPOUND] synonym: "heparin" EXACT [UniProt] synonym: "heparina" RELATED INN [ChemIDplus] synonym: "heparine" RELATED INN [ChemIDplus] synonym: "Heparinic acid" RELATED [ChemIDplus] synonym: "heparinum" RELATED INN [ChemIDplus] synonym: "Parnaparin" RELATED [ChemIDplus] synonym: "Reviparin" RELATED [ChemIDplus] synonym: "Sandoparin" RELATED [ChemIDplus] xref: CAS:9005-49-6 {source="KEGG COMPOUND"} xref: CAS:9005-49-6 {source="ChemIDplus"} xref: DrugBank:DB01109 xref: KEGG:C00374 xref: KEGG:D07510 xref: PMID:16860191 {source="Europe PMC"} xref: PMID:18809206 {source="Europe PMC"} xref: PMID:8713797 {source="Europe PMC"} xref: Wikipedia:Heparin is_a: CHEBI:24505 ! heparins relationship: has_role CHEBI:50249 ! anticoagulant property_value: http://purl.obolibrary.org/obo/chebi/formula "(C26H40N2O36S5)n" xsd:string [Term] id: CHEBI:28328 name: D-galactosamine namespace: chebi_ontology alt_id: CHEBI:20951 alt_id: CHEBI:4135 alt_id: CHEBI:447526 def: "The D-stereoisomer of galactosamine." [] subset: 3_STAR xref: PMID:16530410 {source="ChEMBL"} xref: PMID:19067146 {source="Europe PMC"} xref: PMID:6196640 {source="Europe PMC"} xref: Wikipedia:Galactosamine is_a: CHEBI:24156 ! galactosamine relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.171" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.07937" xsd:string [Term] id: CHEBI:28331 name: erythromycin D namespace: chebi_ontology alt_id: CHEBI:23951 alt_id: CHEBI:4844 subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Erythromycin D" EXACT [KEGG_COMPOUND] xref: Beilstein:8466359 {source="Beilstein"} xref: KEGG:C06633 xref: PDBeChem:EY5 is_a: CHEBI:48923 ! erythromycin relationship: has_functional_parent CHEBI:27977 ! erythronolide B relationship: is_conjugate_base_of CHEBI:63677 ! erythromycin D(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H65NO12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CLQUUOKNEOQBSW-KEGKUKQHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "703.90084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "703.45068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C" xsd:string [Term] id: CHEBI:28358 name: rac-lactic acid namespace: chebi_ontology alt_id: CHEBI:24998 alt_id: CHEBI:6351 def: "A racemate comprising equimolar amounts of (R)- and (S)-lactic acid." [] subset: 3_STAR synonym: "(+-)-2-hydroxypropanoic acid" RELATED [ChEBI] synonym: "2-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-hydroxypropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "E270" RELATED [ChEBI] synonym: "Lactic acid" RELATED [KEGG_COMPOUND] synonym: "Milchsaeure" RELATED [ChEBI] synonym: "rac-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1209341 {source="Beilstein"} xref: CAS:50-21-5 {source="ChemIDplus"} xref: CAS:50-21-5 {source="NIST Chemistry WebBook"} xref: CAS:50-21-5 {source="KEGG COMPOUND"} xref: DrugBank:DB04398 xref: KEGG:C01432 xref: KEGG:D00111 xref: LIPID_MAPS_instance:LMFA01050002 {source="LIPID MAPS"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: Reaxys:1209341 {source="Reaxys"} xref: Wikipedia:Lactic_acid is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:42111 ! (R)-lactic acid relationship: has_part CHEBI:422 ! (S)-lactic acid relationship: has_role CHEBI:64049 ! food acidity regulator relationship: is_conjugate_acid_of CHEBI:24996 ! lactate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C3H6O3/c2*1-2(4)3(5)6/h2*2,4H,1H3,(H,5,6)/t2*2-/m10/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVZLHPXEUGJPAH-QNDGGIRCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)([C@@H](O)C)O.C(=O)([C@H](O)C)O" xsd:string [Term] id: CHEBI:28383 name: alpha,omega-dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:10197 alt_id: CHEBI:13780 alt_id: CHEBI:22361 subset: 3_STAR synonym: "alpha(omega)-Dicarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "alpha,omega-Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "alpha,omega-dicarboxylic acids" RELATED [ChEBI] xref: KEGG:C04025 is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:28384 name: vitamin K namespace: chebi_ontology alt_id: CHEBI:10009 alt_id: CHEBI:27301 alt_id: CHEBI:27307 def: "Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors." [] subset: 3_STAR synonym: "Vitamin K" EXACT [KEGG_COMPOUND] synonym: "vitamin K vitamer" RELATED [ChEBI] synonym: "vitamin K vitamers" RELATED [ChEBI] synonym: "vitamine K" RELATED [ChEBI] synonym: "vitamins K" RELATED [ChEBI] xref: CAS:12001-79-5 {source="ChemIDplus"} xref: CAS:12001-79-5 {source="KEGG COMPOUND"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3754 xref: KEGG:C01628 xref: MetaCyc:CPD-11501 xref: PMID:26413183 {source="Europe PMC"} xref: PMID:33255760 {source="Europe PMC"} xref: PMID:34109217 {source="Europe PMC"} xref: Wikipedia:Vitamin_K is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:132142 ! 1,4-naphthoquinones is_a: FOODON:03413751 ! food supplements, vitamin substances (ec) relationship: has_role CHEBI:24020 ! fat-soluble vitamin (role) relationship: has_role CHEBI:75771 ! mouse metabolite property_value: IAO:0000118 "vitamin k" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28398 name: butan-2-one namespace: chebi_ontology alt_id: CHEBI:25249 alt_id: CHEBI:6858 def: "A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2." [] subset: 3_STAR synonym: "2-Butanon" RELATED [ChEBI] synonym: "2-Butanone" RELATED [KEGG_COMPOUND] synonym: "3-butanone" RELATED [ChemIDplus] synonym: "Aethylmethylketon" RELATED [ChemIDplus] synonym: "butan-2-one" EXACT [UniProt] synonym: "butan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "butanone" RELATED [NIST_Chemistry_WebBook] synonym: "butanone 2" RELATED [NIST_Chemistry_WebBook] synonym: "C2H5COCH3" RELATED [NIST_Chemistry_WebBook] synonym: "ethyl methyl cetone" RELATED [ChemIDplus] synonym: "Ethyl methyl ketone" RELATED [KEGG_COMPOUND] synonym: "ethyl(methyl) ketone" RELATED [ChEBI] synonym: "ethylmethyl ketone" RELATED [ChEBI] synonym: "Ethylmethylketon" RELATED [NIST_Chemistry_WebBook] synonym: "meetco" RELATED [UM-BBD] synonym: "MEK" RELATED [KEGG_COMPOUND] synonym: "methyl acetone" RELATED [ChemIDplus] synonym: "methyl ethyl cetone" RELATED [ChEBI] synonym: "Methyl ethyl ketone" RELATED [KEGG_COMPOUND] synonym: "methyl(ethyl) ketone" RELATED [ChEBI] synonym: "methylacetone" RELATED [NIST_Chemistry_WebBook] synonym: "methylethyl ketone" RELATED [ChemIDplus] synonym: "Methylethylketon" RELATED [ChEBI] synonym: "oxobutane" RELATED [UM-BBD] xref: Beilstein:741880 {source="Beilstein"} xref: CAS:78-93-3 {source="ChemIDplus"} xref: CAS:78-93-3 {source="NIST Chemistry WebBook"} xref: CAS:78-93-3 {source="KEGG COMPOUND"} xref: Gmelin:25656 {source="Gmelin"} xref: HMDB:HMDB0000474 xref: KEGG:C02845 xref: LIPID_MAPS_instance:LMFA12000043 {source="LIPID MAPS"} xref: MetaCyc:MEK xref: PMID:20403429 {source="Europe PMC"} xref: PMID:23050457 {source="Europe PMC"} xref: Reaxys:741880 {source="Reaxys"} xref: UM-BBD_compID:c0020 {source="UM-BBD"} xref: Wikipedia:Butanone is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:18044 ! dialkyl ketone is_a: CHEBI:22951 ! butanone is_a: CHEBI:51867 ! methyl ketone relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZWEHNKRNPOVVGH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.10572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)=O" xsd:string [Term] id: CHEBI:28428 name: beta-hexachlorocyclohexane namespace: chebi_ontology alt_id: CHEBI:22757 alt_id: CHEBI:3071 def: "The beta-isomer of hexachlorocyclohexane." [] subset: 3_STAR synonym: "(1alpha,2beta,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [NIST_Chemistry_WebBook] synonym: "(1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "beta-1,2,3,4,5,6-Hexachlorocyclohexane" RELATED [KEGG_COMPOUND] synonym: "beta-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [NIST_Chemistry_WebBook] synonym: "beta-benzene hexachloride" RELATED [NIST_Chemistry_WebBook] synonym: "beta-BHC" RELATED [NIST_Chemistry_WebBook] synonym: "beta-BHC" RELATED [KEGG_COMPOUND] synonym: "beta-HCH" RELATED [NIST_Chemistry_WebBook] synonym: "beta-Hexachlorocyclohexane" EXACT [KEGG_COMPOUND] synonym: "beta-Lindane" RELATED [KEGG_COMPOUND] synonym: "beta-lindane" RELATED [NIST_Chemistry_WebBook] synonym: "trans-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1907338 {source="ChemIDplus"} xref: CAS:319-85-7 {source="ChemIDplus"} xref: CAS:319-85-7 {source="KEGG COMPOUND"} xref: CAS:319-85-7 {source="NIST Chemistry WebBook"} xref: KEGG:C06988 xref: PMID:19760616 {source="Europe PMC"} xref: PMID:23866943 {source="Europe PMC"} xref: PMID:24183346 {source="Europe PMC"} xref: PMID:24361731 {source="Europe PMC"} xref: PMID:32525731 {source="Europe PMC"} xref: PMID:32675895 {source="Europe PMC"} xref: PMID:32906049 {source="Europe PMC"} xref: Reaxys:1907338 {source="Reaxys"} xref: UM-BBD_compID:c0139 {source="UM-BBD"} is_a: CHEBI:24536 ! hexachlorocyclohexane is_a: CHEBI:38656 ! organochlorine pesticide relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYXXMFPNIAWKQ-CDRYSYESSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.82804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.86007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl" xsd:string [Term] id: CHEBI:28479 name: D-tyrosine namespace: chebi_ontology alt_id: CHEBI:21111 alt_id: CHEBI:42299 alt_id: CHEBI:4258 def: "An optically active form of tyrosine having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "(R)-3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "D-Tyr" RELATED [ChEBI] synonym: "D-Tyrosin" RELATED [ChEBI] synonym: "D-TYROSINE" EXACT [PDBeChem] synonym: "D-Tyrosine" EXACT [KEGG_COMPOUND] synonym: "D-tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "DTY" RELATED [PDBeChem] xref: Beilstein:2212157 {source="Beilstein"} xref: CAS:556-02-5 {source="ChemIDplus"} xref: CAS:556-02-5 {source="KEGG COMPOUND"} xref: DrugBank:DB03839 xref: ECMDB:ECMDB21520 xref: Gmelin:603524 {source="Gmelin"} xref: KEGG:C06420 xref: MetaCyc:D-TYROSINE xref: PDBeChem:DTY xref: PMID:15292242 {source="Europe PMC"} xref: PMID:23381872 {source="Europe PMC"} xref: PMID:24936396 {source="Europe PMC"} xref: Reaxys:2212157 {source="Reaxys"} xref: YMDB:YMDB00805 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:18186 ! tyrosine relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:32773 ! D-tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32775 ! D-tyrosinium relationship: is_enantiomer_of CHEBI:17895 ! L-tyrosine relationship: is_tautomer_of CHEBI:58570 ! D-tyrosine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:28484 name: isovaleric acid namespace: chebi_ontology alt_id: CHEBI:24930 alt_id: CHEBI:43426 alt_id: CHEBI:6069 def: "A C5, branched-chain saturated fatty acid." [] subset: 3_STAR synonym: "3-methyl-n-butyric acid" RELATED [ChEBI] synonym: "3-Methylbutanoic acid" RELATED [KEGG_COMPOUND] synonym: "3-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-Methylbuttersaeure" RELATED [ChEBI] synonym: "3-methylbutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "beta-methylbutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "delphinic acid" RELATED [ChemIDplus] synonym: "isobutylformic acid" RELATED [ChemIDplus] synonym: "isopentanoic acid" RELATED [ChemIDplus] synonym: "isopropylacetic acid" RELATED [ChemIDplus] synonym: "Isovalerate" RELATED [KEGG_COMPOUND] synonym: "isovalerianic acid" RELATED [ChemIDplus] synonym: "Isovaleriansaeure" RELATED [ChEBI] synonym: "ISOVALERIC ACID" EXACT [PDBeChem] synonym: "Isovaleric acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1098522 {source="ChemIDplus"} xref: CAS:503-74-2 {source="ChemIDplus"} xref: CAS:503-74-2 {source="NIST Chemistry WebBook"} xref: CAS:503-74-2 {source="KEGG COMPOUND"} xref: DrugBank:DB03750 xref: Gmelin:101117 {source="Gmelin"} xref: KEGG:C08262 xref: KNApSAcK:C00001189 xref: LIPID_MAPS_instance:LMFA01020181 {source="LIPID MAPS"} xref: PDBeChem:IVA xref: PMID:12743728 {source="Europe PMC"} xref: PPDB:3129 is_a: CHEBI:38653 ! methylbutyric acid relationship: has_role CHEBI:75768 ! mammalian metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:48942 ! isovalerate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWYFCOCPABKNJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(O)=O" xsd:string [Term] id: CHEBI:28487 name: reserpine namespace: chebi_ontology alt_id: CHEBI:26531 alt_id: CHEBI:8808 def: "An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria." [] subset: 3_STAR synonym: "(-)-reserpine" RELATED [ChemIDplus] synonym: "(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "3,4,5-trimethoxybenzoyl methyl reserpate" RELATED [ChemIDplus] synonym: "Apoplon" RELATED [ChemIDplus] synonym: "methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Reserpin" RELATED [NIST_Chemistry_WebBook] synonym: "Reserpine" EXACT [KEGG_COMPOUND] synonym: "Serpalan" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:102014 {source="Beilstein"} xref: Beilstein:5326088 {source="Beilstein"} xref: CAS:50-55-5 {source="KEGG COMPOUND"} xref: CAS:50-55-5 {source="ChemIDplus"} xref: CAS:50-55-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:2370 {source="DrugCentral"} xref: DrugBank:DB00206 xref: HMDB:HMDB0014351 xref: KEGG:C06539 xref: KEGG:D00197 xref: KNApSAcK:C00001763 xref: LINCS:LSM-4162 xref: PMID:20701244 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:24603678 {source="Europe PMC"} xref: Reaxys:102014 {source="Reaxys"} xref: Wikipedia:Reserpine is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:27358 ! yohimban alkaloid is_a: CHEBI:38481 ! alkaloid ester relationship: has_functional_parent CHEBI:46690 ! reserpic acid relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:65190 ! first generation antipsychotic relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H40N2O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QEVHRUUCFGRFIF-MDEJGZGSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "608.67870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "608.27338" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2" xsd:string [Term] id: CHEBI:28488 name: m-xylene namespace: chebi_ontology alt_id: CHEBI:10590 alt_id: CHEBI:25100 def: "A xylene carrying methyl groups at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Dimethylbenzene" RELATED [KEGG_COMPOUND] synonym: "1,3-Dimethylbenzol" RELATED [ChEBI] synonym: "1,3-Xylene" RELATED [KEGG_COMPOUND] synonym: "1,3-xylene" EXACT IUPAC_NAME [IUPAC] synonym: "3-xylene" RELATED [ChemIDplus] synonym: "m-dimethylbenzene" RELATED [UM-BBD] synonym: "m-methyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "m-Xylene" EXACT [KEGG_COMPOUND] synonym: "m-xylene" EXACT [UniProt] synonym: "m-Xylol" RELATED [UM-BBD] synonym: "meta-xylene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:605441 {source="Beilstein"} xref: CAS:108-38-3 {source="NIST Chemistry WebBook"} xref: CAS:108-38-3 {source="KEGG COMPOUND"} xref: CAS:108-38-3 {source="ChemIDplus"} xref: Gmelin:101390 {source="Gmelin"} xref: HMDB:HMDB0059810 xref: KEGG:C07208 xref: MetaCyc:META-XYLENE xref: PMID:14755610 {source="Europe PMC"} xref: PMID:22360283 {source="Europe PMC"} xref: PMID:24389912 {source="Europe PMC"} xref: Reaxys:605441 {source="Reaxys"} xref: UM-BBD_compID:c0240 {source="UM-BBD"} xref: Wikipedia:M-xylene is_a: CHEBI:27338 ! xylene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IVSZLXZYQVIEFR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.16500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(C)c1" xsd:string [Term] id: CHEBI:28498 name: acadesine namespace: chebi_ontology alt_id: CHEBI:2025 alt_id: CHEBI:20539 def: "A 1-ribosylimidazolecarboxamide in which the carboxamide group is situated at position 4 of the imidazole ring, which is further substituted at position 5 by an amino group. A purine nucleoside analogue and activator of AMP-activated protein kinase, it is is used for the treatment of acute lymphoblastic leukemia and is reported to have cardioprotective effects." [] subset: 3_STAR synonym: "5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "5-amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide" RELATED [ChemIDplus] synonym: "5-amino-1-beta-D-ribofuranosylimidazole-4-carboxamide" RELATED [ChemIDplus] synonym: "5-amino-1-beta-ribofuranosyl-imidazole-4-carboxamide" RELATED [ChemIDplus] synonym: "5-amino-1-ribofuranosylimidazole-4-carboxamide" RELATED [ChEBI] synonym: "5-amino-1beta-D-ribofuranosylimidazole-4-carboxyamide" RELATED [ChemIDplus] synonym: "5-amino-4-imidazolecarboxamide ribofuranoside" RELATED [ChemIDplus] synonym: "5-aminoimidazole-4-carboxamide ribonucleoside" RELATED [ChemIDplus] synonym: "acadesina" RELATED INN [WHO_MedNet] synonym: "acadesine" RELATED INN [WHO_MedNet] synonym: "acadesinum" RELATED INN [WHO_MedNet] synonym: "AIC-Riboside" RELATED [ChemIDplus] synonym: "AICA-riboside" RELATED [ChemIDplus] synonym: "AICAr" RELATED [ChEBI] synonym: "EC Number 220-097-5" RELATED [ChEBI] synonym: "GP 1-110" RELATED [ChemIDplus] synonym: "GP-1-110" RELATED [ChemIDplus] synonym: "N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide" RELATED [ChEBI] xref: CAS:2627-69-2 {source="KEGG DRUG"} xref: CAS:2627-69-2 {source="ChemIDplus"} xref: Drug_Central:37 {source="DrugCentral"} xref: DrugBank:DB04944 xref: KEGG:D02742 xref: PMID:17513706 {source="Europe PMC"} xref: PMID:17706943 {source="Europe PMC"} xref: PMID:18090925 {source="Europe PMC"} xref: PMID:18457469 {source="Europe PMC"} xref: PMID:18671468 {source="Europe PMC"} xref: PMID:20185792 {source="Europe PMC"} xref: PMID:20367195 {source="Europe PMC"} xref: PMID:21244913 {source="Europe PMC"} xref: PMID:23228986 {source="Europe PMC"} xref: PMID:24303202 {source="Europe PMC"} xref: PMID:24519895 {source="Europe PMC"} xref: PMID:24778186 {source="Europe PMC"} xref: PMID:8227467 {source="Europe PMC"} xref: PMID:8458030 {source="Europe PMC"} xref: Reaxys:38255 {source="Reaxys"} xref: Wikipedia:Acadesine is_a: CHEBI:22512 ! aminoimidazole is_a: CHEBI:26556 ! 1-ribosylimidazolecarboxamide is_a: CHEBI:60783 ! nucleoside analogue relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H14N4O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTRQQBHATOEIAF-UUOKFMHZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "258.23130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "258.09642" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N" xsd:string [Term] id: CHEBI:28509 name: chloroethene namespace: chebi_ontology alt_id: CHEBI:27293 alt_id: CHEBI:9990 def: "A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group." [] subset: 3_STAR synonym: "chloroethene" EXACT [UniProt] synonym: "chloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "Chloroethylene" RELATED [KEGG_COMPOUND] synonym: "chlorure de vinyle" RELATED [ChemIDplus] synonym: "cloroetileno" RELATED [ChEBI] synonym: "cloruro de vinilo" RELATED [ChEBI] synonym: "ethylene monochloride" RELATED [ChemIDplus] synonym: "monochloroethene" RELATED [ChemIDplus] synonym: "monochloroethylene" RELATED [ChemIDplus] synonym: "monovinyl chloride" RELATED [ChemIDplus] synonym: "VC" RELATED [UM-BBD] synonym: "Vinyl chloride" RELATED [KEGG_COMPOUND] synonym: "Vinylchlorid" RELATED [ChemIDplus] xref: Beilstein:1731576 {source="Beilstein"} xref: CAS:75-01-4 {source="NIST Chemistry WebBook"} xref: CAS:75-01-4 {source="ChemIDplus"} xref: CAS:75-01-4 {source="KEGG COMPOUND"} xref: Gmelin:100541 {source="Gmelin"} xref: KEGG:C06793 xref: PMID:15989139 {source="Europe PMC"} xref: PMID:18678006 {source="Europe PMC"} xref: Reaxys:1731576 {source="Reaxys"} xref: UM-BBD_compID:c0358 {source="UM-BBD"} xref: Wikipedia:Chloroethene is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:23142 ! chloroethenes is_a: CHEBI:51313 ! monohaloethene relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZHJMEDXRYGGRV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.49792" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.99233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC=C" xsd:string [Term] id: CHEBI:28520 name: 2,4,5-trichlorophenol namespace: chebi_ontology alt_id: CHEBI:19330 alt_id: CHEBI:49904 alt_id: CHEBI:896 def: "A trichlorophenol carrying chloro groups at positions 2, 4 and 5." [] subset: 3_STAR synonym: "2,4,5-TCP" RELATED [ChemIDplus] synonym: "2,4,5-Trichlorophenol" EXACT [KEGG_COMPOUND] synonym: "2,4,5-trichlorophenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:607569 {source="Beilstein"} xref: CAS:95-95-4 {source="ChemIDplus"} xref: CAS:95-95-4 {source="NIST Chemistry WebBook"} xref: CAS:95-95-4 {source="KEGG COMPOUND"} xref: Gmelin:102425 {source="Gmelin"} xref: KEGG:C07101 xref: PDBeChem:TC7 xref: PMID:24078273 {source="Europe PMC"} xref: PMID:24361703 {source="Europe PMC"} xref: PMID:24410196 {source="Europe PMC"} xref: PPDB:963 xref: Reaxys:607569 {source="Reaxys"} xref: UM-BBD_compID:c0362 {source="UM-BBD"} is_a: CHEBI:27102 ! trichlorophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LHJGJYXLEPZJPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.44552" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.92495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:28534 name: 1,2-dibromoethane namespace: chebi_ontology alt_id: CHEBI:18880 alt_id: CHEBI:496 def: "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae." [] subset: 3_STAR synonym: "1,2-Dibromoethane" EXACT [KEGG_COMPOUND] synonym: "1,2-dibromoethane" EXACT [UniProt] synonym: "1,2-dibromoethane" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,beta-dibromoethane" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,omega-dibromoethane" RELATED [ChemIDplus] synonym: "DBE" RELATED [NIST_Chemistry_WebBook] synonym: "EDB" RELATED [NIST_Chemistry_WebBook] synonym: "ethylene bromide" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylene dibromide" RELATED [KEGG_COMPOUND] synonym: "sym-Dibromoethane" RELATED [ChemIDplus] xref: Beilstein:605266 {source="Beilstein"} xref: CAS:106-93-4 {source="NIST Chemistry WebBook"} xref: CAS:106-93-4 {source="ChemIDplus"} xref: CAS:106-93-4 {source="KEGG COMPOUND"} xref: Gmelin:1913 {source="Gmelin"} xref: HMDB:HMDB0060334 xref: KEGG:C11088 xref: MetaCyc:12-DIBROMOETHANE xref: PMID:10088182 {source="Europe PMC"} xref: PMID:11312844 {source="Europe PMC"} xref: PPDB:1484 xref: Reaxys:605266 {source="Reaxys"} xref: Wikipedia:1\,2-Dibromoethane is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:22929 ! bromoalkane relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:39276 ! fumigant relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Br2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAAZPARNPHGIKF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "187.86116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.86798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "BrCCBr" xsd:string [Term] id: CHEBI:28579 name: epsilon-caprolactam namespace: chebi_ontology alt_id: CHEBI:10555 alt_id: CHEBI:23936 def: "A member of the class of caprolactams that is azepane substituted by an oxo group at position 2." [] subset: 3_STAR synonym: "2-ketohexamethyleneimine" RELATED [NIST_Chemistry_WebBook] synonym: "2-oxohexamethylenimine" RELATED [NIST_Chemistry_WebBook] synonym: "6-caprolactam" RELATED [NIST_Chemistry_WebBook] synonym: "aminocaproic lactam" RELATED [NIST_Chemistry_WebBook] synonym: "azepan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "caprolactam" RELATED [NIST_Chemistry_WebBook] synonym: "epsilon-Caprolactam" EXACT [KEGG_COMPOUND] synonym: "epsilon-caprolactam" EXACT [NIST_Chemistry_WebBook] synonym: "hexahydro-2H-azepin-2-one" RELATED [NIST_Chemistry_WebBook] synonym: "Kaprolaktam" RELATED [ChEBI] xref: Beilstein:106934 {source="Beilstein"} xref: CAS:105-60-2 {source="KEGG COMPOUND"} xref: CAS:105-60-2 {source="ChemIDplus"} xref: CAS:105-60-2 {source="NIST Chemistry WebBook"} xref: Gmelin:101802 {source="Gmelin"} xref: KEGG:C06593 xref: KNApSAcK:C00000318 xref: MetaCyc:CPD-883 xref: Patent:KR20120003540 xref: Patent:US2011183386 xref: Patent:WO2011108251 xref: PDBeChem:ICC xref: PMID:17161908 {source="Europe PMC"} xref: PMID:2263224 {source="Europe PMC"} xref: PMID:9688819 {source="Europe PMC"} xref: Reaxys:106934 {source="Reaxys"} xref: UM-BBD_compID:c0432 {source="UM-BBD"} xref: Wikipedia:Caprolactam is_a: CHEBI:23000 ! caprolactams relationship: has_role CHEBI:85234 ! human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBKVHLHDHHXQEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "113.15768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.08406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CCCCCN1" xsd:string [Term] id: CHEBI:28591 name: guaiacol namespace: chebi_ontology alt_id: CHEBI:24434 alt_id: CHEBI:5549 def: "A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position." [] subset: 3_STAR synonym: "1-Hydroxy-2-methoxybenzene" RELATED [ChemIDplus] synonym: "2-Hydroxyanisole" RELATED [ChemIDplus] synonym: "2-methoxyphenol" EXACT IUPAC_NAME [IUPAC] synonym: "Catechol monomethyl ether" RELATED [KEGG_COMPOUND] synonym: "Guaiacol" EXACT [KEGG_COMPOUND] synonym: "guaiacol" EXACT [UniProt] synonym: "o-Methoxyphenol" RELATED [KEGG_COMPOUND] xref: CAS:90-05-1 {source="KEGG COMPOUND"} xref: CAS:90-05-1 {source="ChemIDplus"} xref: Drug_Central:1334 {source="DrugCentral"} xref: HMDB:HMDB0001398 xref: KEGG:C01502 xref: KEGG:C15572 xref: KEGG:D00117 xref: KNApSAcK:C00002654 xref: KNApSAcK:C00029459 xref: LINCS:LSM-6001 xref: MetaCyc:CPD-400 xref: Patent:RU94026717 xref: PDBeChem:JZ3 xref: PMID:22103597 {source="Europe PMC"} xref: PMID:23587706 {source="Europe PMC"} xref: PMID:24295708 {source="Europe PMC"} xref: Reaxys:508112 {source="Reaxys"} xref: Wikipedia:Guaiacol is_a: CHEBI:134251 ! guaiacols relationship: has_functional_parent CHEBI:18135 ! catechol relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77035 ! expectorant relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LHGVFZTZFXWLCP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.13722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1O" xsd:string [Term] id: CHEBI:28600 name: farnesol namespace: chebi_ontology alt_id: CHEBI:24013 alt_id: CHEBI:24014 alt_id: CHEBI:4978 def: "A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1." [] subset: 3_STAR synonym: "3,7,11-trimethyl-2,6,10-dodecatrien-1-ol" RELATED [ChemIDplus] synonym: "3,7,11-trimethyl-2,6,10-dodecatrienol" RELATED [NIST_Chemistry_WebBook] synonym: "3,7,11-trimethyldodeca-2,6,10-trien-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Farnesol" EXACT [KEGG_COMPOUND] synonym: "farnesyl alcohol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1763926 {source="Beilstein"} xref: CAS:4602-84-0 {source="NIST Chemistry WebBook"} xref: CAS:4602-84-0 {source="ChemIDplus"} xref: CAS:4602-84-0 {source="KEGG COMPOUND"} xref: DrugBank:DB02509 xref: HMDB:HMDB0004305 xref: KEGG:C01493 xref: KNApSAcK:C00003132 xref: LINCS:LSM-5398 xref: PMID:17640272 {source="Europe PMC"} xref: PMID:19402910 {source="Europe PMC"} xref: PMID:23902158 {source="Europe PMC"} xref: PMID:24987733 {source="Europe PMC"} xref: Reaxys:1763926 {source="Reaxys"} is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:26199 ! polyprenol is_a: CHEBI:36757 ! farnesane sesquiterpenoid relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76946 ! fungal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H26O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CRDAMVZIKSXKFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.36634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.19837" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C" xsd:string [Term] id: CHEBI:28616 name: carbamic acid namespace: chebi_ontology alt_id: CHEBI:22504 alt_id: CHEBI:23002 alt_id: CHEBI:3386 alt_id: CHEBI:44573 def: "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised." [] subset: 3_STAR synonym: "Aminoameisensaeure" RELATED [ChEBI] synonym: "Aminoformic acid" RELATED [KEGG_COMPOUND] synonym: "Carbamate" RELATED [KEGG_COMPOUND] synonym: "CARBAMIC ACID" EXACT [PDBeChem] synonym: "Carbamic acid" EXACT [KEGG_COMPOUND] synonym: "carbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Carbamidsaeure" RELATED [ChEBI] xref: Beilstein:1734754 {source="Beilstein"} xref: CAS:463-77-4 {source="KEGG COMPOUND"} xref: CAS:463-77-4 {source="ChemIDplus"} xref: DrugBank:DB04261 xref: Gmelin:130345 {source="Gmelin"} xref: KEGG:C01563 xref: PDBeChem:OUT xref: Wikipedia:Carbamic_acid is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:13941 ! carbamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=O" xsd:string [Term] id: CHEBI:28618 name: 1,4-dichlorobenzene namespace: chebi_ontology alt_id: CHEBI:18930 alt_id: CHEBI:536 def: "A dichlorobenzene carrying chloro groups at positions 1 and 4." [] subset: 3_STAR synonym: "1,4-Dichlorobenzene" EXACT [KEGG_COMPOUND] synonym: "1,4-dichlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "p-chlorophenyl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "p-Dichlorbenzol" RELATED [ChemIDplus] synonym: "p-Dichlorobenzene" RELATED [KEGG_COMPOUND] synonym: "PARA" RELATED [UM-BBD] synonym: "Paradichlorbenzol" RELATED [NIST_Chemistry_WebBook] synonym: "paradichlorobenzene" RELATED [ChemIDplus] synonym: "PDCB" RELATED [UM-BBD] xref: Beilstein:1680023 {source="Beilstein"} xref: CAS:106-46-7 {source="KEGG COMPOUND"} xref: CAS:106-46-7 {source="NIST Chemistry WebBook"} xref: CAS:106-46-7 {source="ChemIDplus"} xref: Gmelin:49722 {source="Gmelin"} xref: HMDB:HMDB0041971 xref: KEGG:C07092 xref: Patent:WO2010122925 xref: PMID:10817668 {source="Europe PMC"} xref: PMID:17750169 {source="Europe PMC"} xref: PMID:23899931 {source="Europe PMC"} xref: Reaxys:1680023 {source="Reaxys"} xref: UM-BBD_compID:c0593 {source="UM-BBD"} xref: Wikipedia:1\,4-Dichlorobenzene is_a: CHEBI:23697 ! dichlorobenzene relationship: has_role CHEBI:24852 ! insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OCJBOOLMMGQPQU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.00136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:28619 name: acrylamide namespace: chebi_ontology alt_id: CHEBI:22215 alt_id: CHEBI:2441 def: "A member of the class of acrylamides that results from the formal condensation of acrylic acid with ammonia." [] subset: 3_STAR synonym: "2-Propenamide" RELATED [KEGG_COMPOUND] synonym: "Acrylamide" EXACT [KEGG_COMPOUND] synonym: "acrylamide" EXACT [UniProt] synonym: "Akrylamid" RELATED [NIST_Chemistry_WebBook] synonym: "ethylenecarboxamide" RELATED [NIST_Chemistry_WebBook] synonym: "prop-2-enamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:605349 {source="Beilstein"} xref: CAS:79-06-1 {source="NIST Chemistry WebBook"} xref: CAS:79-06-1 {source="ChemIDplus"} xref: CAS:79-06-1 {source="KEGG COMPOUND"} xref: Gmelin:81842 {source="Gmelin"} xref: HMDB:HMDB0004296 xref: KEGG:C01659 xref: Patent:US2535245 xref: PMID:10719038 {source="Europe PMC"} xref: PMID:12166997 {source="Europe PMC"} xref: PMID:15240786 {source="Europe PMC"} xref: PMID:15901921 {source="Europe PMC"} xref: PMID:17032038 {source="Europe PMC"} xref: PMID:17234719 {source="Europe PMC"} xref: PMID:17484107 {source="Europe PMC"} xref: PMID:17558658 {source="Europe PMC"} xref: PMID:17720246 {source="Europe PMC"} xref: PMID:18469268 {source="Europe PMC"} xref: PMID:19022940 {source="Europe PMC"} xref: PMID:19846048 {source="Europe PMC"} xref: PMID:22136129 {source="Europe PMC"} xref: PMID:22784192 {source="Europe PMC"} xref: PMID:7767980 {source="Europe PMC"} xref: Reaxys:605349 {source="Reaxys"} xref: UM-BBD_compID:c0149 {source="UM-BBD"} xref: Wikipedia:Acrylamide is_a: CHEBI:140324 ! primary carboxamide is_a: CHEBI:22216 ! acrylamides is_a: CHEBI:83628 ! N-acylammonia relationship: has_functional_parent CHEBI:18308 ! acrylic acid relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:77523 ! Maillard reaction product property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRPVXLWXLXDGHG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.03711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)C=C" xsd:string [Term] id: CHEBI:28640 name: lipoteichoic acid namespace: chebi_ontology alt_id: CHEBI:25063 alt_id: CHEBI:6496 def: "A teichoic acid which is covalently bound to a lipid." [] subset: 3_STAR xref: PMID:6083437 {source="Europe PMC"} xref: PMID:9188087 {source="Europe PMC"} is_a: CHEBI:30049 ! teichoic acid [Term] id: CHEBI:28659 name: phosphorus atom namespace: chebi_ontology alt_id: CHEBI:26080 alt_id: CHEBI:8168 subset: 3_STAR synonym: "15P" RELATED [IUPAC] synonym: "fosforo" RELATED [ChEBI] synonym: "P" RELATED [IUPAC] synonym: "P" RELATED [KEGG_COMPOUND] synonym: "Phosphor" RELATED [ChEBI] synonym: "phosphore" RELATED [ChEBI] synonym: "Phosphorus" RELATED [KEGG_COMPOUND] synonym: "phosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus" RELATED [ChEBI] xref: CAS:7723-14-0 {source="ChemIDplus"} xref: CAS:7723-14-0 {source="KEGG COMPOUND"} xref: Gmelin:16235 {source="Gmelin"} xref: KEGG:C06262 xref: WebElements:P is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.97376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[P]" xsd:string [Term] id: CHEBI:28680 name: cytarabine namespace: chebi_ontology alt_id: CHEBI:23532 alt_id: CHEBI:4074 alt_id: CHEBI:40824 def: "A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties." [] subset: 3_STAR synonym: "1-beta-D-Arabinofuranosylcytosine" RELATED [ChemIDplus] synonym: "4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone" RELATED [ChemIDplus] synonym: "4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "ara-C" RELATED [ChEBI] synonym: "arabinocytosine" RELATED [DrugCentral] synonym: "Arabinoside C" RELATED [DrugCentral] synonym: "citarabina" RELATED INN [ChemIDplus] synonym: "Cytarabine" EXACT [KEGG_COMPOUND] synonym: "cytarabine" RELATED INN [WHO_MedNet] synonym: "cytarabine" RELATED INN [ChemIDplus] synonym: "cytarabinum" RELATED INN [ChemIDplus] synonym: "Cytosine arabinoside" RELATED [KEGG_COMPOUND] synonym: "Cytosine-1-beta-D-arabinofuranoside" RELATED [KEGG_COMPOUND] synonym: "cytosine-beta-D-arabinofuranoside" RELATED [ChEBI] xref: Beilstein:89175 {source="Beilstein"} xref: CAS:147-94-4 {source="ChemIDplus"} xref: CAS:147-94-4 {source="KEGG COMPOUND"} xref: Drug_Central:770 {source="DrugCentral"} xref: DrugBank:DB00987 xref: HMDB:HMDB0015122 xref: KEGG:C02961 xref: KEGG:D00168 xref: LINCS:LSM-5470 xref: PDBeChem:AR3 xref: PMID:15492802 {source="Europe PMC"} xref: Reaxys:89175 {source="Reaxys"} xref: Wikipedia:Cytarabine is_a: CHEBI:26440 ! pyrimidine nucleoside is_a: CHEBI:38315 ! beta-D-arabinoside is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:16040 ! cytosine relationship: has_role CHEBI:22587 ! antiviral agent relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35705 ! immunosuppressive agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13N3O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHDGCWIWMRVCDJ-CCXZUQQUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "243.21674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.08552" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1" xsd:string [Term] id: CHEBI:28685 name: molybdenum atom namespace: chebi_ontology alt_id: CHEBI:25369 alt_id: CHEBI:49750 alt_id: CHEBI:6968 subset: 3_STAR synonym: "42Mo" RELATED [IUPAC] synonym: "Mo" RELATED [IUPAC] synonym: "Mo" RELATED [UniProt] synonym: "molibdeno" RELATED [ChEBI] synonym: "Molybdaen" RELATED [ChEBI] synonym: "molybdene" RELATED [ChEBI] synonym: "Molybdenum" RELATED [KEGG_COMPOUND] synonym: "molybdenum" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum" RELATED [ChEBI] xref: CAS:7439-98-7 {source="ChemIDplus"} xref: CAS:7439-98-7 {source="NIST Chemistry WebBook"} xref: CAS:7439-98-7 {source="KEGG COMPOUND"} xref: Gmelin:16205 {source="Gmelin"} xref: KEGG:C00150 xref: WebElements:Mo is_a: CHEBI:33350 ! chromium group element atom relationship: has_role CHEBI:27027 ! micronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mo" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOKXTWBITQBERF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.94000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.90541" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mo]" xsd:string [Term] id: CHEBI:28689 name: dehydroepiandrosterone namespace: chebi_ontology alt_id: CHEBI:11911 alt_id: CHEBI:1723 alt_id: CHEBI:20246 alt_id: CHEBI:40738 alt_id: CHEBI:86953 def: "An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands." [] subset: 3_STAR synonym: "3-BETA-HYDROXY-5-ANDROSTEN-17-ONE" RELATED [PDBeChem] synonym: "3beta-Hydroxyandrost-5-en-17-one" RELATED [KEGG_COMPOUND] synonym: "3beta-hydroxyandrost-5-en-17-one" EXACT IUPAC_NAME [IUPAC] synonym: "3beta-hydroxyandrost-5-en-17-one" RELATED [UniProt] synonym: "3beta-hydroxyandrost-5-en-17-one" RELATED [ChEBI] synonym: "Dehydroepiandrosterone" EXACT [KEGG_COMPOUND] synonym: "Dehydroisoandrosterone" RELATED [KEGG_COMPOUND] synonym: "DHA" RELATED [KEGG_COMPOUND] synonym: "DHEA" RELATED [KEGG_COMPOUND] synonym: "Intrarosa" RELATED BRAND_NAME [ChemIDplus] synonym: "Prasterone" RELATED [ChemIDplus] xref: CAS:53-43-0 {source="ChemIDplus"} xref: CAS:53-43-0 {source="KEGG COMPOUND"} xref: Drug_Central:795 {source="DrugCentral"} xref: DrugBank:DB01708 xref: HMDB:HMDB0000077 xref: KEGG:C01227 xref: KEGG:D08409 xref: LIPID_MAPS_instance:LMST02020021 {source="LIPID MAPS"} xref: MetaCyc:3-BETA-HYDROXYANDROST-5-EN-17-ONE xref: PDBeChem:AND xref: PMID:14662261 {source="Europe PMC"} xref: PMID:18634257 {source="Europe PMC"} xref: PMID:24256992 {source="Europe PMC"} xref: PMID:24424045 {source="Europe PMC"} xref: Reaxys:2058110 {source="Reaxys"} xref: Wikipedia:Dehydroepiandrosterone is_a: CHEBI:1722 ! 3beta-hydroxy-Delta(5)-steroid is_a: CHEBI:19168 ! 17-oxo steroid is_a: CHEBI:50402 ! androstanoid relationship: has_role CHEBI:50113 ! androgen relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FMGSKLZLMKYGDP-USOAJAOKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.42440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]" xsd:string [Term] id: CHEBI:28694 name: copper atom namespace: chebi_ontology alt_id: CHEBI:23376 alt_id: CHEBI:3874 subset: 3_STAR synonym: "29Cu" RELATED [IUPAC] synonym: "cobre" RELATED [ChEBI] synonym: "Copper" RELATED [KEGG_COMPOUND] synonym: "copper" EXACT IUPAC_NAME [IUPAC] synonym: "copper" RELATED [ChEBI] synonym: "Cu" RELATED [ChEBI] synonym: "Cu" RELATED [IUPAC] synonym: "cuivre" RELATED [ChEBI] synonym: "cuprum" RELATED [IUPAC] synonym: "Kupfer" RELATED [ChEBI] xref: CAS:7440-50-8 {source="ChemIDplus"} xref: CAS:7440-50-8 {source="KEGG COMPOUND"} xref: Gmelin:16269 {source="Gmelin"} xref: KEGG:C00070 xref: WebElements:Cu is_a: CHEBI:33366 ! copper group element atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:27027 ! micronutrient relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYGMFSIKBFXOCR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.54600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu]" xsd:string [Term] id: CHEBI:28716 name: palmitoleic acid namespace: chebi_ontology alt_id: CHEBI:25836 alt_id: CHEBI:44696 alt_id: CHEBI:7897 def: "A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration." [] subset: 3_STAR synonym: "(9Z)-hexadec-9-enoic acid" EXACT [] synonym: "(9Z)-Hexadecenoic acid" RELATED [] synonym: "(Z)-9-hexadecenoic acid" RELATED [] synonym: "(Z)-hexadec-9-enoic acid" RELATED [] synonym: "16:1Delta9" RELATED [] synonym: "9-cis-hexadecenoic acid" RELATED [] synonym: "cis-9-Hexadecenoic acid" RELATED [] synonym: "cis-9-Palmitoleic acid" RELATED [] synonym: "cis-Delta(9)-hexadecenoic acid" RELATED [] synonym: "cis-delta-9-Hexadecenoic acid" RELATED [] synonym: "cis-Palmitoleic acid" RELATED [] synonym: "Oleopalmitic acid" RELATED [] synonym: "PALMITOLEIC ACID" EXACT [] synonym: "Palmitoleic acid" EXACT [] synonym: "palmitolinoleic acid" RELATED [] synonym: "zoomaric acid" RELATED [] synonym: "Zoomeric acid" RELATED [] xref: Beilstein:1725389 xref: CAS:373-49-9 xref: DrugBank:DB04257 xref: HMDB:HMDB0003229 xref: KEGG:C08362 xref: KNApSAcK:C00001234 xref: KNApSAcK:C00029354 xref: LIPID_MAPS_instance:LMFA01030056 xref: PDBeChem:PAM xref: PMID:19761868 xref: PMID:24362891 xref: Reaxys:1725389 is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SECPZKHBENQXJG-FPLPWBNLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.409" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCC/C=C\\CCCCCC)(=O)O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28738 name: 2,6-dimethylaniline namespace: chebi_ontology alt_id: CHEBI:19404 alt_id: CHEBI:956 def: "A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic)." [] subset: 3_STAR synonym: "1-amino-2,6-dimethylbenzene" RELATED [ChemIDplus] synonym: "2,6-Dimethylaniline" EXACT [KEGG_COMPOUND] synonym: "2,6-dimethylaniline" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-dimethylbenzenamine" RELATED [ChemIDplus] synonym: "2,6-dimethylphenylamine" RELATED [ChemIDplus] synonym: "2,6-DMA" RELATED [KEGG_COMPOUND] synonym: "2,6-Xylidine" RELATED [KEGG_COMPOUND] synonym: "2,6-xylidine" RELATED [ChemIDplus] synonym: "2,6-xylylamine" RELATED [ChemIDplus] synonym: "2-amino-1,3-dimethylbenzene" RELATED [ChemIDplus] synonym: "2-amino-1,3-xylene" RELATED [ChemIDplus] synonym: "2-amino-m-xylene" RELATED [ChemIDplus] synonym: "o-xylidine" RELATED [ChemIDplus] synonym: "vic-m-xylidine" RELATED [ChEBI] xref: Beilstein:636332 {source="Beilstein"} xref: CAS:87-62-7 {source="NIST Chemistry WebBook"} xref: CAS:87-62-7 {source="ChemIDplus"} xref: CAS:87-62-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0060677 xref: KEGG:C11004 xref: PMID:11765029 {source="Europe PMC"} xref: PMID:18490435 {source="Europe PMC"} xref: PMID:8374321 {source="Europe PMC"} xref: Reaxys:636332 {source="Reaxys"} xref: Wikipedia:2\,6-Xylidine is_a: CHEBI:23806 ! dimethylaniline is_a: CHEBI:50471 ! primary arylamine relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFFBMTHBGFGIHF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.17960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(C)c1N" xsd:string [Term] id: CHEBI:28741 name: sodium fluoride namespace: chebi_ontology alt_id: CHEBI:26713 alt_id: CHEBI:9178 def: "A metal fluoride salt with a Na(+) counterion." [] subset: 3_STAR synonym: "NaF" RELATED [IUPAC] synonym: "Sodium fluoride" EXACT [KEGG_COMPOUND] synonym: "sodium fluoride" EXACT IUPAC_NAME [IUPAC] xref: CAS:7681-49-4 {source="ChemIDplus"} xref: CAS:7681-49-4 {source="KEGG COMPOUND"} xref: KEGG:C08142 xref: KEGG:D00943 xref: Wikipedia:Sodium_Fluoride is_a: CHEBI:24060 ! fluoride salt is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_role CHEBI:25435 ! mutagen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FNa" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na.F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH.Na/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUZPDOWCWNUUKD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.98817" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98817" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[Na+]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28747 name: picolinic acid namespace: chebi_ontology alt_id: CHEBI:26128 alt_id: CHEBI:47159 alt_id: CHEBI:8201 def: "A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan." [] subset: 3_STAR synonym: "2-carboxypyridine" RELATED [NIST_Chemistry_WebBook] synonym: "2-Picolinic acid" RELATED [HMDB] synonym: "2-Pyridinecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-picolinic acid" RELATED [ChEBI] synonym: "alpha-pyridinecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "o-pyridinecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Picolinic acid" EXACT [KEGG_COMPOUND] synonym: "PYRIDINE-2-CARBOXYLIC ACID" RELATED [PDBeChem] synonym: "pyridine-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:109595 {source="Beilstein"} xref: CAS:98-98-6 {source="NIST Chemistry WebBook"} xref: CAS:98-98-6 {source="ChemIDplus"} xref: CAS:98-98-6 {source="KEGG COMPOUND"} xref: Gmelin:3318 {source="Gmelin"} xref: HMDB:HMDB0002243 xref: KEGG:C10164 xref: KNApSAcK:C00002063 xref: MetaCyc:PICOLINATE xref: PDBeChem:6PC xref: PMID:15206716 {source="Europe PMC"} xref: PMID:15206793 {source="Europe PMC"} xref: PMID:15290459 {source="Europe PMC"} xref: PMID:16303883 {source="Europe PMC"} xref: PMID:23630570 {source="Europe PMC"} xref: PMID:24119749 {source="Europe PMC"} xref: PMID:7064867 {source="Europe PMC"} xref: PMID:7969932 {source="Europe PMC"} xref: Reaxys:109595 {source="Reaxys"} xref: Wikipedia:Picolinic_acid is_a: CHEBI:26420 ! pyridinemonocarboxylic acid relationship: has_role CHEBI:64345 ! MALDI matrix material relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:38184 ! picolinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SIOXPEMLGUPBBT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.10940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccn1" xsd:string [Term] id: CHEBI:28748 name: doxorubicin namespace: chebi_ontology alt_id: CHEBI:22270 alt_id: CHEBI:2496 alt_id: CHEBI:42031 subset: 3_STAR synonym: "(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside" RELATED [ChEBI] synonym: "(8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione" RELATED [ChemIDplus] synonym: "14-hydroxydaunomycin" RELATED [ChemIDplus] synonym: "14-hydroxydaunorubicine" RELATED [ChemIDplus] synonym: "Adriamycin" RELATED [KEGG_COMPOUND] synonym: "DOXORUBICIN" EXACT [PDBeChem] synonym: "Doxorubicin" EXACT [KEGG_COMPOUND] synonym: "doxorubicin" RELATED INN [ChemIDplus] synonym: "doxorubicine" RELATED INN [ChemIDplus] synonym: "doxorubicinum" RELATED INN [ChemIDplus] xref: CAS:23214-92-8 {source="ChemIDplus"} xref: CAS:23214-92-8 {source="KEGG COMPOUND"} xref: Drug_Central:960 {source="DrugCentral"} xref: DrugBank:DB00997 xref: KEGG:C01661 xref: KEGG:D03899 xref: LINCS:LSM-4062 xref: LIPID_MAPS_instance:LMPK13050001 {source="LIPID MAPS"} xref: PDBeChem:DM2 is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:25830 ! p-quinones is_a: CHEBI:35315 ! deoxy hexoside is_a: CHEBI:47779 ! aminoglycoside is_a: CHEBI:49322 ! anthracycline antibiotic is_a: CHEBI:51286 ! tetracenequinones relationship: has_parent_hydride CHEBI:32600 ! tetracene relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:64816 ! doxorubicin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H29NO11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AOJJSUZBOXZQNB-TZSSRYMLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "543.51930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "543.17406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO" xsd:string [Term] id: CHEBI:28755 name: 2,4,6-trichlorophenol namespace: chebi_ontology alt_id: CHEBI:19334 alt_id: CHEBI:898 def: "A trichlorophenol with phenolic substituents on positions 2, 4 and 6." [] subset: 3_STAR synonym: "1,3,5-Trichloro-2-hydroxybenzene" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,6-TCP" RELATED [UM-BBD] synonym: "2,4,6-Trichlorophenol" EXACT [KEGG_COMPOUND] synonym: "2,4,6-trichlorophenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:776729 {source="Beilstein"} xref: CAS:88-06-2 {source="NIST Chemistry WebBook"} xref: CAS:88-06-2 {source="KEGG COMPOUND"} xref: CAS:88-06-2 {source="ChemIDplus"} xref: Gmelin:3766 {source="Gmelin"} xref: KEGG:C07098 xref: MetaCyc:TRICHLOROPHENOL xref: PDBeChem:T6C xref: PMID:21863115 {source="Europe PMC"} xref: PMID:22748215 {source="Europe PMC"} xref: PMID:23995979 {source="Europe PMC"} xref: PMID:24078273 {source="Europe PMC"} xref: Reaxys:776729 {source="Reaxys"} xref: UM-BBD_compID:c0330 {source="UM-BBD"} xref: Wikipedia:2\,4\,6-Trichlorophenol is_a: CHEBI:27102 ! trichlorophenol relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: is_conjugate_acid_of CHEBI:140426 ! 2,4,6-trichlorophenolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LINPIYWFGCPVIE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.44600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.92495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(Cl)cc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:28757 name: fructose namespace: chebi_ontology alt_id: CHEBI:24104 alt_id: CHEBI:24110 alt_id: CHEBI:5172 def: "A ketohexose that is an isomer of glucose." [] comment: LanguaL curation note: Used when pure fructose is the major ingredient. If *HIGH FRUCTOSE SYRUP* is the major ingredient, use that term for indexing. subset: 3_STAR synonym: "arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC] synonym: "arabino-Hexulose" RELATED [KEGG_COMPOUND] synonym: "Fru" RELATED [JCBN] synonym: "Fruchtzucker" RELATED [ChEBI] synonym: "Fructose" EXACT [KEGG_COMPOUND] synonym: "fructose" EXACT IUPAC_NAME [IUPAC] synonym: "Fruktose" RELATED [ChEBI] xref: CAS:30237-26-4 {source="ChemIDplus"} xref: DrugBank:DB04173 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0223 xref: KEGG:C01496 xref: Wikipedia:Fructose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:24973 ! ketohexose is_a: FOODON:00002157 ! plant sweetener is_a: FOODON:03420108 ! sugar relationship: has_role CHEBI:78675 ! fundamental metabolite property_value: hasSynonym "levulose" xsd:string property_value: IAO:0000118 "fructose" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28763 name: 4,4'-dichlorodiphenylmethane namespace: chebi_ontology alt_id: CHEBI:22892 alt_id: CHEBI:3119 def: "A chlorophenylmethane that is methane in which two of the hydrogens have been replaced by p-chlorophenyl groups." [] subset: 3_STAR synonym: "1,1'-methylenebis(4-chlorobenzene)" EXACT IUPAC_NAME [IUPAC] synonym: "1-chloro-4-(4-chlorobenzyl)benzene" RELATED [NIST_Chemistry_WebBook] synonym: "4,4'-dichlorodiphenylmethane" EXACT [ChemIDplus] synonym: "Bis(4'-chlorophenyl)methane" RELATED [KEGG_COMPOUND] synonym: "bis(4-chlorophenyl)methane" RELATED [ChemIDplus] synonym: "bis(p-chlorophenyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "bis-(4-chlorophenyl)-methane" RELATED [NIST_Chemistry_WebBook] synonym: "DDM" RELATED [KEGG_COMPOUND] synonym: "di(4-chlorophenyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "di(p-chlorophenyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "p,p'-dichlorodiphenylmethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1873121 {source="ChemIDplus"} xref: CAS:101-76-8 {source="ChemIDplus"} xref: CAS:101-76-8 {source="NIST Chemistry WebBook"} xref: CAS:101-76-8 {source="KEGG COMPOUND"} xref: Gmelin:1851655 {source="Gmelin"} xref: KEGG:C06641 xref: UM-BBD_compID:c0503 {source="UM-BBD"} is_a: CHEBI:23156 ! chlorophenylmethane is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_parent_hydride CHEBI:38884 ! diphenylmethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H10Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LQGSWLJZAKVBJH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.12390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.01596" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cc2ccc(Cl)cc2)cc1" xsd:string [Term] id: CHEBI:2877 name: aspartame def: "A dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener." [] comment: LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener. xref: Codex:\:951 xref: Europe:\:951 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3008 is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:46761 ! dipeptide property_value: IAO:0000118 "aspartame" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28786 name: paraquat dichloride namespace: chebi_ontology alt_id: CHEBI:25856 alt_id: CHEBI:6861 subset: 3_STAR synonym: "1,1'-Dimethyl-4,4'-bipyridinium dichloride" RELATED [KEGG_COMPOUND] synonym: "1,1'-Dimethyl-4,4'-dipyridylium dichloride" RELATED [ChemIDplus] synonym: "1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Dimethyldipyridyl dichloride" RELATED [ChemIDplus] synonym: "Methyl viologen" RELATED [KEGG_COMPOUND] synonym: "Methyl viologen dichloride" RELATED [ChemIDplus] synonym: "N,N'-Dimethyl-4,4'-bipyridinium dichloride" RELATED [ChemIDplus] synonym: "N,N'-Dimethyl-4,4'-bipyridylium dichloride" RELATED [ChEBI] synonym: "Paraquat dichloride" EXACT [KEGG_COMPOUND] xref: CAS:1910-42-5 {source="ChemIDplus"} xref: CAS:1910-42-5 {source="KEGG COMPOUND"} xref: KEGG:C00225 xref: PPDB:1524 xref: Wikipedia:Paraquat is_a: CHEBI:36094 ! organic chloride salt relationship: has_part CHEBI:34905 ! paraquat relationship: has_role CHEBI:26088 ! photosystem-I inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14N2.2Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIKAKWIAUPDISJ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.15900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.05340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].C[n+]1ccc(cc1)-c1cc[n+](C)cc1" xsd:string [Term] id: CHEBI:28787 name: nitroglycerin namespace: chebi_ontology alt_id: CHEBI:25559 alt_id: CHEBI:7595 def: "A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain." [] subset: 3_STAR synonym: "1,2,3-propanetrioltrinitrate" RELATED [UM-BBD] synonym: "1,2,3-propanetriyl nitrate" RELATED [NIST_Chemistry_WebBook] synonym: "1,2,3-trinitrooxypropane" EXACT IUPAC_NAME [IUPAC] synonym: "glycerin trinitrate" RELATED [NIST_Chemistry_WebBook] synonym: "glycerol trinitrate" RELATED [NIST_Chemistry_WebBook] synonym: "glycerol, nitric acid triester" RELATED [NIST_Chemistry_WebBook] synonym: "Glyceryl trinitrate" RELATED [KEGG_COMPOUND] synonym: "Minitran" RELATED BRAND_NAME [DrugBank] synonym: "Natispray" RELATED BRAND_NAME [DrugBank] synonym: "NG" RELATED [NIST_Chemistry_WebBook] synonym: "Nitro-Dur" RELATED BRAND_NAME [DrugBank] synonym: "Nitroglycerin" EXACT [KEGG_COMPOUND] synonym: "nitroglycerine" RELATED [NIST_Chemistry_WebBook] synonym: "nitroglycerol" RELATED [NIST_Chemistry_WebBook] synonym: "Nitrolingual" RELATED BRAND_NAME [DrugBank] synonym: "Nitromist" RELATED BRAND_NAME [ChEBI] synonym: "Nitrostat" RELATED [DrugBank] synonym: "propane-1,2,3-triyl trinitrate" RELATED [IUPAC] synonym: "Rectogesic" RELATED BRAND_NAME [DrugBank] synonym: "Transderm Nitro" RELATED BRAND_NAME [DrugBank] synonym: "trinitroglycerin" RELATED [UM-BBD] synonym: "trinitroglycerol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1802063 {source="Beilstein"} xref: CAS:55-63-0 {source="ChemIDplus"} xref: CAS:55-63-0 {source="NIST Chemistry WebBook"} xref: CAS:55-63-0 {source="KEGG COMPOUND"} xref: Drug_Central:1952 {source="DrugCentral"} xref: DrugBank:DB00727 xref: Gmelin:165859 {source="Gmelin"} xref: KEGG:C07455 xref: KEGG:D00515 xref: PMID:11016328 {source="Europe PMC"} xref: PMID:11470751 {source="Europe PMC"} xref: PMID:11943517 {source="Europe PMC"} xref: PMID:22040938 {source="Europe PMC"} xref: PMID:22675243 {source="Europe PMC"} xref: PMID:23205544 {source="Europe PMC"} xref: PMID:23301717 {source="Europe PMC"} xref: PMID:9492718 {source="Europe PMC"} xref: Reaxys:1802063 {source="Reaxys"} xref: UM-BBD_compID:c0061 {source="UM-BBD"} xref: Wikipedia:Glyceryl_trinitrate_(pharmacology) xref: Wikipedia:Nitroglycerin is_a: CHEBI:25560 ! nitroglycerol relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:50566 ! nitric oxide donor relationship: has_role CHEBI:51371 ! muscle relaxant relationship: has_role CHEBI:63490 ! explosive relationship: has_role CHEBI:66993 ! tocolytic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5N3O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNIOPGDIGTZGOP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.08650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.00258" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O" xsd:string [Term] id: CHEBI:28790 name: serotonin namespace: chebi_ontology alt_id: CHEBI:1420 alt_id: CHEBI:26652 alt_id: CHEBI:49894 def: "A primary amino compound that is the 5-hydroxy derivative of tryptamine." [] subset: 3_STAR synonym: "3-(2-Aminoethyl)-1H-indol-5-ol" RELATED [KEGG_COMPOUND] synonym: "3-(2-aminoethyl)-1H-indol-5-ol" EXACT IUPAC_NAME [IUPAC] synonym: "5-HT" RELATED [IUPHAR] synonym: "5-Hydroxytryptamine" RELATED [KEGG_COMPOUND] synonym: "Enteramine" RELATED [KEGG_COMPOUND] synonym: "SEROTONIN" EXACT [PDBeChem] synonym: "Serotonin" EXACT [KEGG_COMPOUND] synonym: "serotonine" RELATED [ChEBI] synonym: "thrombocytin" RELATED [ChemIDplus] synonym: "thrombotonin" RELATED [ChemIDplus] xref: Beilstein:143524 {source="Beilstein"} xref: CAS:50-67-9 {source="KEGG COMPOUND"} xref: CAS:50-67-9 {source="ChemIDplus"} xref: Gmelin:1861995 {source="Gmelin"} xref: HMDB:HMDB0000259 xref: KEGG:C00780 xref: KNApSAcK:C00001429 xref: LINCS:LSM-6589 xref: MetaCyc:SEROTONIN xref: PDBeChem:SRO xref: PMID:18593914 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24136337 {source="Europe PMC"} xref: Reaxys:143524 {source="Reaxys"} xref: Wikipedia:Serotonin is_a: CHEBI:25375 ! monoamine molecular messenger is_a: CHEBI:27162 ! tryptamines is_a: CHEBI:33853 ! phenols is_a: CHEBI:50994 ! primary amino compound is_a: CHEBI:84729 ! hydroxyindoles relationship: has_functional_parent CHEBI:16765 ! tryptamine relationship: has_role CHEBI:25512 ! neurotransmitter relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:350546 ! serotonin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZAYGJVTTNCVMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.215" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC(=CC=2C(=CNC12)CCN)O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28793 name: beta-D-glucan is_a: CHEBI:37163 ! glucan [Term] id: CHEBI:28795 name: m-toluate namespace: chebi_ontology alt_id: CHEBI:20204 alt_id: CHEBI:20205 def: "A toluate that is the conjugate base of m-toluic acid." [] subset: 3_STAR synonym: "3-methylbenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "3-toluate" RELATED [ChEBI] synonym: "beta-bethylbenzoate" RELATED [ChEBI] synonym: "m-Methylbenzoate" RELATED [KEGG_COMPOUND] synonym: "m-Methylbenzoate" RELATED [UM-BBD] xref: Beilstein:3904551 {source="Beilstein"} xref: KEGG:C07211 xref: MetaCyc:CPD-8775 xref: UM-BBD_compID:c0243 {source="UM-BBD"} is_a: CHEBI:27021 ! toluate relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:10589 ! m-toluic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GPSDUZXPYCFOSQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.14050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.04515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(c1)C([O-])=O" xsd:string [Term] id: CHEBI:28796 name: fructan namespace: chebi_ontology alt_id: CHEBI:24101 alt_id: CHEBI:6434 def: "Polysaccharides composed of fructose residues." [] subset: 3_STAR synonym: "(2,6-beta-D-Fructosyl)n" RELATED [] synonym: "(2,6-beta-D-Fructosyl)n+1" RELATED [] synonym: "2,6-beta-D-Fructan" RELATED [] synonym: "beta-D-Fructan" RELATED [] synonym: "Fructan" EXACT [] synonym: "fructan" EXACT [] synonym: "fructans" RELATED [] synonym: "Levan" RELATED [] synonym: "Levan n" RELATED [] synonym: "polyfructose" RELATED [] xref: CAS:9013-95-0 xref: KEGG:C01355 xref: KEGG:C06215 xref: KEGG:G10499 xref: KEGG:G10535 is_a: CDNO:0000008 ! insoluble dietary fibre is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H10O5)n" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28798 name: rubber particle is_a: CHEBI:60027 ! polymer [Term] id: CHEBI:28802 name: flavonols name: flavonols namespace: chebi_ontology alt_id: CHEBI:13639 alt_id: CHEBI:24052 alt_id: CHEBI:71969 def: "Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group." [] subset: 3_STAR synonym: "3-hydroxyflavones" RELATED [] synonym: "a flavonol" RELATED [] xref: MetaCyc:Flavonols xref: Wikipedia:Flavonol is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15HO3R9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.16660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(oc2c([*])c([*])c([*])c([*])c2c1=O)-c1c([*])c([*])c([*])c([*])c1[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28805 name: cis-1,2-dichloroethene namespace: chebi_ontology alt_id: CHEBI:10455 alt_id: CHEBI:18623 subset: 3_STAR synonym: "(Z)-1,2-dichloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-1,2-dichloroethene" RELATED [UniProt] synonym: "(Z)-1,2-dichloroethylene" RELATED [NIST_Chemistry_WebBook] synonym: "cis-1,2-Dichloroethene" EXACT [KEGG_COMPOUND] synonym: "cis-1,2-dichloroethylene" RELATED [ChemIDplus] synonym: "cis-Acetylene dichloride" RELATED [KEGG_COMPOUND] synonym: "cis-dichloroethylene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1071208 {source="Beilstein"} xref: CAS:156-59-2 {source="NIST Chemistry WebBook"} xref: CAS:156-59-2 {source="ChemIDplus"} xref: CAS:156-59-2 {source="KEGG COMPOUND"} xref: Gmelin:122694 {source="Gmelin"} xref: KEGG:C06792 xref: UM-BBD_compID:c0357 {source="UM-BBD"} is_a: CHEBI:18882 ! 1,2-dichloroethene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KFUSEUYYWQURPO-UPHRSURJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.94268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl\\C=C/Cl" xsd:string [Term] id: CHEBI:28817 name: dodecane namespace: chebi_ontology alt_id: CHEBI:25464 alt_id: CHEBI:41713 alt_id: CHEBI:4675 def: "A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger)." [] subset: 3_STAR synonym: "Bihexyl" RELATED [HMDB] synonym: "CH3-[CH2]10-CH3" RELATED [IUPAC] synonym: "Dihexyl" RELATED [HMDB] synonym: "DODECANE" EXACT [PDBeChem] synonym: "Dodecane" EXACT [KEGG_COMPOUND] synonym: "dodecane" EXACT IUPAC_NAME [IUPAC] synonym: "Dodekan" RELATED [ChEBI] synonym: "n-Dodecane" RELATED [KEGG_COMPOUND] xref: Beilstein:1697175 {source="ChemIDplus"} xref: CAS:112-40-3 {source="ChemIDplus"} xref: CAS:112-40-3 {source="KEGG COMPOUND"} xref: CAS:112-40-3 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02771 xref: Gmelin:201408 {source="Gmelin"} xref: HMDB:HMDB0031444 xref: KEGG:C08374 xref: KNApSAcK:C00001248 xref: LIPID_MAPS_instance:LMFA11000004 {source="LIPID MAPS"} xref: MetaCyc:CPD-9290 xref: PDBeChem:D12 xref: PMID:24493301 {source="Europe PMC"} xref: Reaxys:1697175 {source="Reaxys"} xref: Wikipedia:Dodecane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H26" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNRUBQQJIBEYMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.33484" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.20345" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCC" xsd:string [Term] id: CHEBI:28829 name: aminophenol namespace: chebi_ontology alt_id: CHEBI:22521 alt_id: CHEBI:2658 def: "A substituted aniline carrying a hydroxy substituent." [] subset: 3_STAR synonym: "aminobenzenol" RELATED [ChEBI] synonym: "aminophenol" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxyaniline" RELATED [ChEBI] xref: CAS:27598-85-2 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:48975 ! substituted aniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "109.126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.05276" xsd:string [Term] id: CHEBI:28831 name: propan-1-ol namespace: chebi_ontology alt_id: CHEBI:26278 alt_id: CHEBI:44960 alt_id: CHEBI:8472 def: "The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group." [] subset: 3_STAR synonym: "1-Hydroxypropane" RELATED [KEGG_COMPOUND] synonym: "1-Propanol" RELATED [KEGG_COMPOUND] synonym: "1-propanol" RELATED [UniProt] synonym: "ethyl carbinol" RELATED [ChemIDplus] synonym: "Ethylcarbinol" RELATED [KEGG_COMPOUND] synonym: "n-propan-1-ol" RELATED [ChemIDplus] synonym: "N-PROPANOL" RELATED [PDBeChem] synonym: "n-Propanol" RELATED [KEGG_COMPOUND] synonym: "n-Propyl alcohol" RELATED [KEGG_COMPOUND] synonym: "n-Propylalkohol" RELATED [ChEBI] synonym: "Optal" RELATED [KEGG_COMPOUND] synonym: "Osmosol extra" RELATED [KEGG_COMPOUND] synonym: "Propan-1-ol" EXACT [KEGG_COMPOUND] synonym: "propan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Propane-1-ol" RELATED [KEGG_COMPOUND] synonym: "Propanol" RELATED [KEGG_COMPOUND] synonym: "propanol-1" RELATED [ChemIDplus] synonym: "Propyl alcohol" RELATED [KEGG_COMPOUND] synonym: "UN 1274" RELATED [KEGG_COMPOUND] xref: Beilstein:1098242 {source="ChemIDplus"} xref: CAS:71-23-8 {source="ChemIDplus"} xref: CAS:71-23-8 {source="NIST Chemistry WebBook"} xref: CAS:71-23-8 {source="KEGG COMPOUND"} xref: Drug_Central:4332 {source="DrugCentral"} xref: DrugBank:DB03175 xref: Gmelin:25616 {source="Gmelin"} xref: HMDB:HMDB0000820 xref: KEGG:C05979 xref: PDBeChem:POL xref: PMID:21741120 {source="Europe PMC"} xref: PMID:22565543 {source="Europe PMC"} xref: Reaxys:1098242 {source="Reaxys"} xref: Wikipedia:Propan-1-ol is_a: CHEBI:157770 ! short-chain primary fatty alcohol is_a: CHEBI:26279 ! propan-1-ols relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:48356 ! protic solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDERNNFJNOPAEC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCO" xsd:string [Term] id: CHEBI:28837 name: octanoic acid namespace: chebi_ontology alt_id: CHEBI:25648 alt_id: CHEBI:3373 alt_id: CHEBI:44501 def: "A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid." [] subset: 3_STAR synonym: "1-heptanecarboxylic acid" RELATED [ChemIDplus] synonym: "8:0" RELATED [ChEBI] synonym: "Acide octanoique" RELATED [ChemIDplus] synonym: "acide octanoique" RELATED INN [WHO_MedNet] synonym: "Acido octanoico" RELATED [ChemIDplus] synonym: "acido octanoico" RELATED INN [WHO_MedNet] synonym: "Acidum octanocium" RELATED [ChemIDplus] synonym: "acidum octanoicum" RELATED INN [WHO_MedNet] synonym: "C8:0" RELATED [ChEBI] synonym: "Caprylic acid" RELATED [KEGG_COMPOUND] synonym: "CH3-[CH2]6-COOH" RELATED [IUPAC] synonym: "Kaprylsaeure" RELATED [ChEBI] synonym: "n-caprylic acid" RELATED [ChemIDplus] synonym: "n-octanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-octoic acid" RELATED [ChemIDplus] synonym: "n-octylic acid" RELATED [ChemIDplus] synonym: "Octanoic acid" EXACT [KEGG_COMPOUND] synonym: "octanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "octanoic acid" RELATED INN [WHO_MedNet] synonym: "OCTANOIC ACID (CAPRYLIC ACID)" RELATED [PDBeChem] synonym: "Octansaeure" RELATED [ChEBI] synonym: "octoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Octylic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:1747180 {source="Beilstein"} xref: CAS:124-07-2 {source="NIST Chemistry WebBook"} xref: CAS:124-07-2 {source="ChemIDplus"} xref: CAS:124-07-2 {source="KEGG COMPOUND"} xref: Drug_Central:3998 {source="DrugCentral"} xref: DrugBank:DB04519 xref: Gmelin:142966 {source="Gmelin"} xref: HMDB:HMDB0000482 xref: KEGG:C06423 xref: KEGG:D05220 xref: KNApSAcK:C00001231 xref: LIPID_MAPS_instance:LMFA01010008 {source="LIPID MAPS"} xref: MetaCyc:CPD-195 xref: PDBeChem:OCA xref: PMID:16162522 {source="Europe PMC"} xref: PMID:16872526 {source="Europe PMC"} xref: PMID:19096058 {source="Europe PMC"} xref: Reaxys:1747180 {source="Reaxys"} xref: Wikipedia:Caprylic_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:25646 ! octanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WWZKQHOCKIZLMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.21140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28851 name: phenanthrene namespace: chebi_ontology alt_id: CHEBI:25951 alt_id: CHEBI:44893 alt_id: CHEBI:8051 def: "A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'" [] subset: 3_STAR synonym: "Phenanthracene" RELATED [KEGG_COMPOUND] synonym: "Phenanthren" RELATED [ChemIDplus] synonym: "PHENANTHRENE" EXACT [PDBeChem] synonym: "Phenanthrene" EXACT [KEGG_COMPOUND] synonym: "phenanthrene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1905428 {source="Beilstein"} xref: CAS:85-01-8 {source="ChemIDplus"} xref: CAS:85-01-8 {source="NIST Chemistry WebBook"} xref: CAS:85-01-8 {source="KEGG COMPOUND"} xref: DrugBank:DB08381 xref: Gmelin:28699 {source="Gmelin"} xref: KEGG:C11422 xref: MetaCyc:CPD-13485 xref: PDBeChem:PEY xref: PMID:11472527 {source="Europe PMC"} xref: PMID:24216621 {source="Europe PMC"} xref: PMID:24722053 {source="Europe PMC"} xref: Reaxys:1905428 {source="Reaxys"} xref: UM-BBD_compID:c0431 {source="UM-BBD"} xref: Wikipedia:Phenanthrene is_a: CHEBI:25961 ! phenanthrenes is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNPNZTXNASCQKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.22920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)ccc1ccccc21" xsd:string [Term] id: CHEBI:28854 name: 2,4-D namespace: chebi_ontology alt_id: CHEBI:48791 alt_id: CHEBI:73176 alt_id: CHEBI:910 def: "A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines." [] subset: 3_STAR synonym: "(2,4-dichlorophenoxy)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2,4-Dichlorphenoxy)essigsaeure" RELATED [ChEBI] synonym: "2,4-D" EXACT [KEGG_COMPOUND] synonym: "2,4-D acid" RELATED [ChemIDplus] synonym: "2,4-Dichlorophenoxyacetate" RELATED [KEGG_COMPOUND] synonym: "2,4-Dichlorophenoxyacetic acid" RELATED [KEGG_COMPOUND] synonym: "2,4-Dichlorphenoxyessigsaeure" RELATED [ChEBI] synonym: "acide 2,4-dichloro phenoxyacetique" RELATED [ChemIDplus] synonym: "Hedonal" RELATED [NIST_Chemistry_WebBook] synonym: "Trinoxol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1214242 {source="Beilstein"} xref: CAS:94-75-7 {source="NIST Chemistry WebBook"} xref: CAS:94-75-7 {source="ChemIDplus"} xref: CAS:94-75-7 {source="KEGG COMPOUND"} xref: Gmelin:51306 {source="Gmelin"} xref: HMDB:HMDB0041797 xref: KEGG:C03664 xref: LINCS:LSM-19988 xref: MetaCyc:CPD-9009 xref: PDBeChem:CFA xref: Pesticides:2\,4-d {source="Alan Wood's Pesticides"} xref: PMID:10794133 {source="Europe PMC"} xref: PMID:11165716 {source="Europe PMC"} xref: PMID:11423340 {source="Europe PMC"} xref: PMID:11566291 {source="Europe PMC"} xref: PMID:12231832 {source="Europe PMC"} xref: PMID:15198722 {source="Europe PMC"} xref: PMID:16785163 {source="Europe PMC"} xref: PMID:17568655 {source="Europe PMC"} xref: PMID:18969687 {source="Europe PMC"} xref: PMID:6362003 {source="Europe PMC"} xref: PPDB:4 xref: Reaxys:1214242 {source="Reaxys"} xref: Wikipedia:2\,4-Dichlorophenoxyacetic_acid is_a: CHEBI:23152 ! chlorophenoxyacetic acid is_a: CHEBI:23697 ! dichlorobenzene relationship: has_role CHEBI:23582 ! defoliant relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:19351 ! (2,4-dichlorophenoxy)acetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVSKIKFHRZPJSS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.03684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.96940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)COc1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:28866 name: tetracosanoic acid namespace: chebi_ontology alt_id: CHEBI:25467 alt_id: CHEBI:26892 alt_id: CHEBI:6458 def: "A C24 straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "CH3-[CH2]22-COOH" RELATED [IUPAC] synonym: "Lignoceric acid" RELATED [KEGG_COMPOUND] synonym: "Lignozerinsaeure" RELATED [ChEBI] synonym: "n-tetracosanoic acid" RELATED [ChEBI] synonym: "tetracosanic acid" RELATED [ChEBI] synonym: "Tetracosanoic acid" EXACT [KEGG_COMPOUND] synonym: "tetracosanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Tetracosansaeure" RELATED [ChEBI] synonym: "tetracosoic acid" RELATED [ChEBI] synonym: "tetraeicosanoic acid" RELATED [ChEBI] synonym: "tetraicosanoic acid" RELATED [ChEBI] xref: Beilstein:1728237 {source="Beilstein"} xref: CAS:557-59-5 {source="ChemIDplus"} xref: CAS:557-59-5 {source="KEGG COMPOUND"} xref: CAS:557-59-5 {source="NIST Chemistry WebBook"} xref: Gmelin:107095 {source="Gmelin"} xref: HMDB:HMDB0002003 xref: KEGG:C08320 xref: KNApSAcK:C00001223 xref: LIPID_MAPS_instance:LMFA01010024 {source="LIPID MAPS"} xref: MetaCyc:TETRACOSANOATE xref: PMID:21781003 {source="Europe PMC"} xref: PMID:23019902 {source="Europe PMC"} xref: PMID:23157011 {source="Europe PMC"} xref: PMID:23394615 {source="Europe PMC"} xref: PMID:23871298 {source="Europe PMC"} xref: PMID:24491713 {source="Europe PMC"} xref: PMID:3174658 {source="Europe PMC"} xref: Reaxys:1728237 {source="Reaxys"} xref: Wikipedia:Lignoceric_acid is_a: CHEBI:27283 ! very long-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83146 ! Daphnia tenebrosa metabolite relationship: is_conjugate_acid_of CHEBI:31014 ! tetracosanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H48O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZZGJDVWLFXDLK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "368.63670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.36543" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28868 name: fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13634 alt_id: CHEBI:24022 alt_id: CHEBI:4985 def: "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid." [] subset: 3_STAR synonym: "a fatty acid" RELATED [UniProt] synonym: "acido graso anionico" RELATED [ChEBI] synonym: "acidos grasos anionicos" RELATED [ChEBI] synonym: "Alkanate" RELATED [KEGG_COMPOUND] synonym: "anion de l'acide gras" RELATED [ChEBI] synonym: "Fatty acid anion" EXACT [KEGG_COMPOUND] synonym: "fatty acid anions" RELATED [ChEBI] synonym: "Fettsaeureanion" RELATED [ChEBI] synonym: "Fettsaeureanionen" RELATED [ChEBI] xref: KEGG:C02403 xref: PMID:18628202 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35366 ! fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:28869 name: menadione namespace: chebi_ontology alt_id: CHEBI:27304 alt_id: CHEBI:46306 alt_id: CHEBI:6747 def: "A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia." [] subset: 3_STAR synonym: "2-methyl-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "2-Methyl-1,4-naphthochinon" RELATED [ChemIDplus] synonym: "2-methyl-1,4-naphthoquinone" RELATED [KEGG_COMPOUND] synonym: "2-methylnaphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylnaphthoquinone" RELATED [ChemIDplus] synonym: "3-methyl-1,4-naphthoquinone" RELATED [ChemIDplus] synonym: "Aquakay" RELATED BRAND_NAME [ChemIDplus] synonym: "Aquinone" RELATED BRAND_NAME [ChemIDplus] synonym: "Hemodal" RELATED BRAND_NAME [ChemIDplus] synonym: "Kappaxin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "menadion" RELATED [ChemIDplus] synonym: "MENADIONE" EXACT [PDBeChem] synonym: "Menadione" EXACT [KEGG_COMPOUND] synonym: "menadione" EXACT [UniProt] synonym: "menaphthon" RELATED [ChemIDplus] synonym: "menaphthone" RELATED [ChemIDplus] synonym: "menaquinone" RELATED [ChemIDplus] synonym: "menaquinone 0" RELATED [ChemIDplus] synonym: "vitamin K3" RELATED [ChEBI] synonym: "vitamin K3" RELATED [ChemIDplus] xref: CAS:58-27-5 {source="NIST Chemistry WebBook"} xref: CAS:58-27-5 {source="ChemIDplus"} xref: CAS:58-27-5 {source="KEGG COMPOUND"} xref: Chemspider:3915 xref: Drug_Central:1683 {source="DrugCentral"} xref: DrugBank:DB00170 xref: FooDB:FDB000953 xref: HMDB:HMDB0001892 xref: KEGG:C05377 xref: KEGG:D02335 xref: LINCS:LSM-3755 xref: MetaCyc:CPD-3766 xref: PDBeChem:VK3 xref: PMID:10433694 {source="Europe PMC"} xref: PMID:11372776 {source="Europe PMC"} xref: PMID:12665684 {source="Europe PMC"} xref: PMID:12895502 {source="Europe PMC"} xref: PMID:13779073 {source="Europe PMC"} xref: PMID:15052609 {source="Europe PMC"} xref: PMID:15265851 {source="Europe PMC"} xref: PMID:15613473 {source="Europe PMC"} xref: PMID:15722567 {source="Europe PMC"} xref: PMID:16109308 {source="Europe PMC"} xref: PMID:16140270 {source="Europe PMC"} xref: PMID:16469140 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:1697141 {source="Europe PMC"} xref: PMID:1857739 {source="Europe PMC"} xref: PMID:18698499 {source="Europe PMC"} xref: PMID:19593550 {source="Europe PMC"} xref: PMID:19766112 {source="Europe PMC"} xref: PMID:2064595 {source="Europe PMC"} xref: PMID:2333843 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:30119016 {source="Europe PMC"} xref: PMID:30609653 {source="Europe PMC"} xref: PMID:3083821 {source="Europe PMC"} xref: PMID:31238027 {source="Europe PMC"} xref: PMID:31520616 {source="Europe PMC"} xref: PMID:31701430 {source="Europe PMC"} xref: PMID:32630491 {source="Europe PMC"} xref: PMID:32798378 {source="Europe PMC"} xref: PMID:33227312 {source="Europe PMC"} xref: PMID:33800926 {source="Europe PMC"} xref: PMID:33901557 {source="Europe PMC"} xref: PMID:33945810 {source="Europe PMC"} xref: PMID:34040527 {source="Europe PMC"} xref: PMID:8785182 {source="Europe PMC"} xref: PMID:9010592 {source="Europe PMC"} xref: PMID:9380028 {source="Europe PMC"} xref: Reaxys:1908453 {source="Reaxys"} xref: Wikipedia:Menadione is_a: CHEBI:28384 ! vitamin K relationship: has_role CHEBI:147285 ! EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:48422 ! angiogenesis inhibitor relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MJVAVZPDRWSRRC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.183" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(=O)C2=C(C=CC=C2)C1=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:28875 name: tetradecanoic acid namespace: chebi_ontology alt_id: CHEBI:26897 alt_id: CHEBI:278516 alt_id: CHEBI:44232 alt_id: CHEBI:7056 alt_id: CHEBI:73168 def: "A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat." [] subset: 3_STAR synonym: "1-tetradecanecarboxylic acid" RELATED [ChEBI] synonym: "14" RELATED [ChEBI] synonym: "14:0" RELATED [ChEBI] synonym: "14:00" RELATED [ChEBI] synonym: "acide tetradecanoique" RELATED [ChEBI] synonym: "C14" RELATED [ChEBI] synonym: "CH3-[CH2]12-COOH" RELATED [IUPAC] synonym: "MYRISTIC ACID" RELATED [PDBeChem] synonym: "Myristic acid" RELATED [KEGG_COMPOUND] synonym: "myristic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Myristinsaeure" RELATED [ChEBI] synonym: "n-Tetradecan-1-oic acid" RELATED [ChemIDplus] synonym: "n-tetradecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-Tetradecoic acid" RELATED [ChemIDplus] synonym: "Tetradecanoic acid" EXACT [KEGG_COMPOUND] synonym: "tetradecoic acid" RELATED [ChEBI] xref: Beilstein:508624 {source="Beilstein"} xref: CAS:544-63-8 {source="ChemIDplus"} xref: CAS:544-63-8 {source="NIST Chemistry WebBook"} xref: CAS:544-63-8 {source="KEGG COMPOUND"} xref: DrugBank:DB08231 xref: Gmelin:242115 {source="Gmelin"} xref: HMDB:HMDB0000806 xref: KEGG:C06424 xref: KNApSAcK:C00001228 xref: LIPID_MAPS_instance:LMFA01010014 {source="LIPID MAPS"} xref: MetaCyc:CPD-7836 xref: PDBeChem:MYR xref: PMID:13129458 {source="Europe PMC"} xref: PMID:15149689 {source="ChEMBL"} xref: PMID:16509590 {source="ChEMBL"} xref: PMID:16554156 {source="ChEMBL"} xref: PMID:19154695 {source="Europe PMC"} xref: PMID:19761868 {source="Europe PMC"} xref: PMID:19786012 {source="Europe PMC"} xref: PMID:19902021 {source="Europe PMC"} xref: PMID:19955401 {source="Europe PMC"} xref: PMID:20634506 {source="Europe PMC"} xref: PMID:20920594 {source="Europe PMC"} xref: PMID:21955528 {source="Europe PMC"} xref: PMID:22030224 {source="Europe PMC"} xref: PMID:27206979 {source="Europe PMC"} xref: PMID:28600633 {source="Europe PMC"} xref: PMID:6802973 {source="ChEMBL"} xref: Reaxys:508624 {source="Reaxys"} xref: Wikipedia:Myristic_acid is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:30807 ! tetradecanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TUNFSRHWOTWDNC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.37090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28884 name: N-phenylacetamide namespace: chebi_ontology alt_id: CHEBI:22164 alt_id: CHEBI:7331 def: "A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group." [] subset: 3_STAR synonym: "acetamidobenzene" RELATED [ChemIDplus] synonym: "acetanil" RELATED [ChEBI] synonym: "Acetanilid" RELATED [ChemIDplus] synonym: "Acetanilide" RELATED [KEGG_COMPOUND] synonym: "acetic acid anilide" RELATED [ChemIDplus] synonym: "N-acetylaminobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "N-Acetylarylamine" RELATED [KEGG_COMPOUND] synonym: "N-Phenylacetamide" EXACT [KEGG_COMPOUND] synonym: "N-phenylacetamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-phenylacetamide" EXACT [UniProt] xref: Beilstein:606468 {source="Beilstein"} xref: CAS:103-84-4 {source="NIST Chemistry WebBook"} xref: CAS:103-84-4 {source="ChemIDplus"} xref: CAS:103-84-4 {source="KEGG COMPOUND"} xref: Drug_Central:54 {source="DrugCentral"} xref: Gmelin:82833 {source="Gmelin"} xref: KEGG:C07565 xref: PMID:23862058 {source="Europe PMC"} xref: Reaxys:606468 {source="Reaxys"} xref: UM-BBD_compID:c0657 {source="UM-BBD"} xref: Wikipedia:N-Phenylacetamide is_a: CHEBI:13248 ! anilide is_a: CHEBI:22160 ! acetamides relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:35480 ! analgesic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZERHIULMFGESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.16320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Nc1ccccc1" xsd:string [Term] id: CHEBI:28885 name: butan-1-ol namespace: chebi_ontology alt_id: CHEBI:22936 alt_id: CHEBI:39632 alt_id: CHEBI:612 def: "A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes." [] subset: 3_STAR synonym: "1-BUTANOL" RELATED [PDBeChem] synonym: "1-Butanol" RELATED [KEGG_COMPOUND] synonym: "1-butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "1-hydroxybutane" RELATED [NIST_Chemistry_WebBook] synonym: "BuOH" RELATED [IUPAC] synonym: "butan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "butan-1-ol" EXACT [UniProt] synonym: "n-butan-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butanol" RELATED [KEGG_COMPOUND] synonym: "n-butyl alcohol" RELATED [ChemIDplus] synonym: "n-Butylalkohol" RELATED [ChEBI] synonym: "propyl carbinol" RELATED [ChemIDplus] xref: Beilstein:969148 {source="Beilstein"} xref: CAS:71-36-3 {source="NIST Chemistry WebBook"} xref: CAS:71-36-3 {source="ChemIDplus"} xref: DrugBank:DB02145 xref: Gmelin:25753 {source="Gmelin"} xref: HMDB:HMDB0004327 xref: KEGG:C06142 xref: KEGG:D03200 xref: MetaCyc:BUTANOL xref: PDBeChem:1BO xref: PMID:23980702 {source="Europe PMC"} xref: PMID:7096503 {source="Europe PMC"} xref: PPDB:1309 xref: Reaxys:969148 {source="Reaxys"} xref: Wikipedia:N-Butanol is_a: CHEBI:157770 ! short-chain primary fatty alcohol is_a: CHEBI:50584 ! alkyl alcohol relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LRHPLDYGYMQRHN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCO" xsd:string [Term] id: CHEBI:28905 name: prop-2-yn-1-ol namespace: chebi_ontology alt_id: CHEBI:1272 alt_id: CHEBI:26277 def: "A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1." [] subset: 3_STAR synonym: "1-Hydroxy-2-propyne" RELATED [KEGG_COMPOUND] synonym: "1-Propyn-3-ol" RELATED [KEGG_COMPOUND] synonym: "1-Propyn-3-yl alcohol" RELATED [KEGG_COMPOUND] synonym: "2-Propyn-1-ol" RELATED [KEGG_COMPOUND] synonym: "2-Propynol" RELATED [KEGG_COMPOUND] synonym: "2-Propynyl alcohol" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxy-1-propyne" RELATED [KEGG_COMPOUND] synonym: "3-Propynol" RELATED [KEGG_COMPOUND] synonym: "Acetylene carbinol" RELATED [ChemIDplus] synonym: "Acetylenylcarbinol" RELATED [ChemIDplus] synonym: "Ethynylcarbinol" RELATED [KEGG_COMPOUND] synonym: "ethynylmethanol" RELATED [NIST_Chemistry_WebBook] synonym: "Methanol, ethynyl-" RELATED [ChemIDplus] synonym: "NA 1986" RELATED [KEGG_COMPOUND] synonym: "Prop-2-in-1-ol" RELATED [KEGG_COMPOUND] synonym: "Prop-2-yn-1-ol" EXACT [KEGG_COMPOUND] synonym: "prop-2-yn-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "prop-2-yn-1-ol" EXACT [UniProt] synonym: "Prop-2-yne-1-ol" RELATED [KEGG_COMPOUND] synonym: "Propargyl alcohol" RELATED [KEGG_COMPOUND] synonym: "Propynyl alcohol" RELATED [KEGG_COMPOUND] xref: CAS:107-19-7 {source="NIST Chemistry WebBook"} xref: CAS:107-19-7 {source="ChemIDplus"} xref: CAS:107-19-7 {source="KEGG COMPOUND"} xref: KEGG:C05986 xref: PMID:18974778 {source="Europe PMC"} xref: PMID:20151225 {source="Europe PMC"} xref: PMID:23043843 {source="Europe PMC"} xref: Reaxys:506003 {source="Reaxys"} xref: Wikipedia:Propargyl_alcohol is_a: CHEBI:26313 ! propynol is_a: CHEBI:73477 ! terminal acetylenic compound relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVDSBUOJIPERQY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "56.06326" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC#C" xsd:string [Term] id: CHEBI:28925 name: mechlorethamine namespace: chebi_ontology alt_id: CHEBI:25557 alt_id: CHEBI:6708 subset: 3_STAR synonym: "2,2'-dichloro-N-methyldiethylamine" RELATED [ChemIDplus] synonym: "2-chloro-N-(2-chloroethyl)-N-methylethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "beta,beta'-dichlorodiethyl-N-methylamine" RELATED [NIST_Chemistry_WebBook] synonym: "bis(2-chloroethyl)methylamine" RELATED [NIST_Chemistry_WebBook] synonym: "bis(beta-chloroethyl)methylamine" RELATED [NIST_Chemistry_WebBook] synonym: "Chlormethine" RELATED [KEGG_COMPOUND] synonym: "chlormethine" RELATED [ChemIDplus] synonym: "Mechlorethamine" EXACT [KEGG_COMPOUND] synonym: "methylbis(2-chloroethyl)amine" RELATED [ChemIDplus] synonym: "methylbis(beta-chloroethyl)amine" RELATED [NIST_Chemistry_WebBook] synonym: "N-methyl-bis(2-chloroethyl)amine" RELATED [ChemIDplus] synonym: "N-methyl-bis(beta-chloroethyl)amine" RELATED [NIST_Chemistry_WebBook] synonym: "nitrogen mustard" RELATED [ChemIDplus] xref: CAS:51-75-2 {source="KEGG COMPOUND"} xref: CAS:51-75-2 {source="NIST Chemistry WebBook"} xref: CAS:51-75-2 {source="ChemIDplus"} xref: Drug_Central:1647 {source="DrugCentral"} xref: DrugBank:DB00888 xref: KEGG:C07115 xref: KEGG:D07671 xref: Wikipedia:Mechlorethamine is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37598 ! nitrogen mustard property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11Cl2N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAWPXGHAZFHHAD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.05298" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "155.02685" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CCCl)CCCl" xsd:string [Term] id: CHEBI:28934 name: vitamin D2 namespace: chebi_ontology alt_id: CHEBI:10007 alt_id: CHEBI:23937 def: "A vitamin D supplement and has been isolated from alfalfa." [] subset: 3_STAR synonym: "(+)-vitamin D2" RELATED [] synonym: "(3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" RELATED [] synonym: "(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" EXACT [] synonym: "(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol" RELATED [] synonym: "(5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" RELATED [] synonym: "activated ergosterol" RELATED [] synonym: "Buco-D" RELATED [] synonym: "calciferol" RELATED [] synonym: "Decaps" RELATED [] synonym: "Dee-Ron" RELATED [] synonym: "Deltalin" RELATED [] synonym: "Diactol" RELATED [] synonym: "Doral" RELATED [] synonym: "Drisdol" RELATED [] synonym: "ercalciol" RELATED [] synonym: "ergocalciferol" EXACT [] synonym: "ergocalciferol" RELATED [] synonym: "ergocalciferolum" RELATED [] synonym: "Ertron" RELATED [] synonym: "Geltabs" RELATED [] synonym: "oleovitamin D2" RELATED [] synonym: "Ostelin" RELATED [] synonym: "Radiostol" RELATED [] synonym: "Radsterin" RELATED [] synonym: "Rodine C" RELATED [] synonym: "Rodinec" RELATED [] synonym: "Sterogyl" RELATED [] synonym: "Vio-D" RELATED [] synonym: "Viosterol" RELATED [] synonym: "Vitamin D2" EXACT [] synonym: "vitamin D2" EXACT [] synonym: "Vitamina D2" RELATED [] synonym: "Vitavel-D" RELATED [] xref: AGR:IND605848433 xref: Beilstein:1916682 xref: CAS:50-14-6 xref: Chemspider:4444351 xref: Drug_Central:2838 xref: DrugBank:DB00153 xref: FooDB:FDB012811 xref: Gmelin:1310395 xref: HMDB:HMDB0000900 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3769 xref: KEGG:C05441 xref: KEGG:D00187 xref: LIPID_MAPS_instance:LMST03010001 xref: MetaCyc:VITAMIN_D2 xref: Patent:US1680818 xref: Patent:US1871136 xref: Patent:US1902785 xref: Patent:US2030792 xref: PDBeChem:D2V xref: PMCID:PMC6578466 xref: PMID:24362707 xref: PMID:24780068 xref: PMID:24854739 xref: PMID:31199458 xref: PMID:31614966 xref: PMID:31987498 xref: PMID:32784944 xref: PMID:34302325 xref: PPDB:107 xref: Wikipedia:Ergocalciferol is_a: CHEBI:27300 ! vitamin D is_a: CHEBI:36819 ! seco-ergostane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H44O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MECHNRXZTMCUDQ-RKHKHRCZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "396.659" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "396.33922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])\\C(CCC[C@]12C)=C\\C=C1\\C[C@@H](O)CCC1=C)[C@H](C)\\C=C\\[C@H](C)C(C)C" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28938 name: ammonium namespace: chebi_ontology alt_id: CHEBI:22534 alt_id: CHEBI:49783 alt_id: CHEBI:7435 def: "An onium cation obtained by protonation of ammonia." [] subset: 3_STAR synonym: "[NH4](+)" RELATED [MolBase] synonym: "ammonium" EXACT IUPAC_NAME [IUPAC] synonym: "ammonium" EXACT [ChEBI] synonym: "ammonium cation" RELATED [ChemIDplus] synonym: "ammonium ion" RELATED [PDBeChem] synonym: "Ammonium(1+)" RELATED [ChemIDplus] synonym: "azanium" EXACT IUPAC_NAME [IUPAC] synonym: "NH4(+)" RELATED [UniProt] synonym: "NH4(+)" RELATED [IUPAC] synonym: "NH4+" RELATED [KEGG_COMPOUND] xref: CAS:14798-03-9 "NIST Chemistry WebBook" xref: CAS:14798-03-9 {source="NIST Chemistry WebBook"} xref: CAS:14798-03-9 {source="ChemIDplus"} xref: Gmelin:84 "Gmelin" xref: Gmelin:84 {source="Gmelin"} xref: KEGG:C01342 xref: MetaCyc:AMMONIUM xref: MolBase:929 xref: PDBeChem:NH4 xref: PMID:11319011 "Europe PMC" xref: PMID:11319011 {source="Europe PMC"} xref: PMID:11341317 "Europe PMC" xref: PMID:11341317 {source="Europe PMC"} xref: PMID:12096804 "Europe PMC" xref: PMID:12096804 {source="Europe PMC"} xref: PMID:14512268 "Europe PMC" xref: PMID:14512268 {source="Europe PMC"} xref: PMID:14879753 "Europe PMC" xref: PMID:14879753 {source="Europe PMC"} xref: PMID:16345391 "Europe PMC" xref: PMID:16345391 {source="Europe PMC"} xref: PMID:16903292 "Europe PMC" xref: PMID:16903292 {source="Europe PMC"} xref: PMID:17392693 "Europe PMC" xref: PMID:17392693 {source="Europe PMC"} xref: PMID:18515490 "Europe PMC" xref: PMID:18515490 {source="Europe PMC"} xref: PMID:19199063 "Europe PMC" xref: PMID:19199063 {source="Europe PMC"} xref: PMID:19596600 "Europe PMC" xref: PMID:19596600 {source="Europe PMC"} xref: PMID:19682559 "Europe PMC" xref: PMID:19682559 {source="Europe PMC"} xref: PMID:19716251 "Europe PMC" xref: PMID:19716251 {source="Europe PMC"} xref: PMID:21993530 "Europe PMC" xref: PMID:21993530 {source="Europe PMC"} xref: PMID:22265469 "Europe PMC" xref: PMID:22265469 {source="Europe PMC"} xref: PMID:22524020 "Europe PMC" xref: PMID:22524020 {source="Europe PMC"} xref: PMID:22562341 "Europe PMC" xref: PMID:22562341 {source="Europe PMC"} xref: PMID:22631217 "Europe PMC" xref: PMID:22631217 {source="Europe PMC"} xref: Reaxys:16093784 {source="Reaxys"} xref: Reaxys:16093784 "Reaxys" xref: Wikipedia:Ammonium is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:50313 ! onium cation is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16134 ! ammonia property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.03850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.03383" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N+]([H])([H])[H]" xsd:string [Term] id: CHEBI:28950 name: N-methyl-N-picrylnitramine namespace: chebi_ontology alt_id: CHEBI:25542 def: "A nitramine that is methylamine in which one of the hydrogens attached to the nitrogen is substituted by a nitro group while the other is substituted by a 2,4,6-trinitrophenyl group. A yellow crystalline powder, it is a high explosive, capable of being detonated by friction, shock, or a spark." [] subset: 3_STAR synonym: "(trinitrophenyl)methylnitramine" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,6-(trinitrophenyl)methylnitroamine" RELATED [ChemIDplus] synonym: "2,4,6-tetryl" RELATED [ChemIDplus] synonym: "2,4,6-trinitrophenyl-N-methylnitramine" RELATED [ChemIDplus] synonym: "2,4,6-trinitrophenylmethylnitramine" RELATED [ChemIDplus] synonym: "N-methyl-N,2,4,6-tetranitroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "N-methyl-N,2,4,6-tetranitroaniline" RELATED [ChemIDplus] synonym: "N-methyl-N,2,4,6-tetranitrobenzenamine" RELATED [ChemIDplus] synonym: "N-methyl-N-nitro-2,4,6-trinitroaniline" RELATED [ChemIDplus] synonym: "N-methyl-N-picrylnitramine" EXACT [NIST_Chemistry_WebBook] synonym: "N-picryl-N-methylnitramine" RELATED [ChemIDplus] synonym: "nitramine" RELATED [ChemIDplus] xref: CAS:479-45-8 {source="NIST Chemistry WebBook"} xref: CAS:479-45-8 {source="ChemIDplus"} xref: Reaxys:964788 {source="Reaxys"} xref: Wikipedia:Tetryl is_a: CHEBI:25543 ! nitramine relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N5O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGUIVNYEYSCPNI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "287.14330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.01381" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:28963 name: amino sugar namespace: chebi_ontology alt_id: CHEBI:22481 alt_id: CHEBI:22530 alt_id: CHEBI:2662 def: "Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups." [] subset: 3_STAR synonym: "amino sugars" RELATED [ChEBI] synonym: "aminosugar" RELATED [ChEBI] synonym: "Aminosugars" RELATED [KEGG_COMPOUND] xref: KEGG:C05383 xref: PMID:18424273 {source="Europe PMC"} xref: PMID:9056391 {source="Europe PMC"} is_a: CHEBI:63299 ! carbohydrate derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:28965 name: dicarboxylic acid dianion namespace: chebi_ontology alt_id: CHEBI:13632 alt_id: CHEBI:23688 alt_id: CHEBI:23689 alt_id: CHEBI:38711 def: "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid." [] subset: 3_STAR synonym: "a dicarboxylate" RELATED [UniProt] synonym: "dicarboxylate" RELATED [ChEBI] synonym: "dicarboxylates" RELATED [ChEBI] synonym: "dicarboxylic acid dianion" EXACT [ChEBI] synonym: "dicarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion is_a: CHEBI:38716 ! carboxylic acid dianion property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[*]C([O-])=O" xsd:string [Term] id: CHEBI:28973 name: strychnine namespace: chebi_ontology alt_id: CHEBI:26795 alt_id: CHEBI:9293 def: "A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position." [] subset: 3_STAR synonym: "strychnidin-10-one" EXACT IUPAC_NAME [IUPAC] synonym: "Strychnin" RELATED [ChemIDplus] synonym: "Strychnine" EXACT [KEGG_COMPOUND] xref: Beilstein:52979 {source="Beilstein"} xref: BPDB:2066 xref: CAS:57-24-9 {source="KEGG COMPOUND"} xref: CAS:57-24-9 {source="ChemIDplus"} xref: CAS:57-24-9 {source="NIST Chemistry WebBook"} xref: Drug_Central:2484 {source="DrugCentral"} xref: Gmelin:117894 {source="Gmelin"} xref: KEGG:C06522 xref: KNApSAcK:C00001770 xref: KNApSAcK:C00025213 xref: PDBeChem:SY9 xref: PMID:10471592 {source="Europe PMC"} xref: PMID:10821054 {source="Europe PMC"} xref: PMID:11024105 {source="Europe PMC"} xref: PMID:11157095 {source="Europe PMC"} xref: PMID:11324564 {source="Europe PMC"} xref: PMID:11327524 {source="Europe PMC"} xref: PMID:11453337 {source="Europe PMC"} xref: PMID:11516560 {source="Europe PMC"} xref: PMID:11900860 {source="Europe PMC"} xref: PMID:12611967 {source="Europe PMC"} xref: PMID:12718443 {source="Europe PMC"} xref: PMID:12742643 {source="Europe PMC"} xref: PMID:12757728 {source="Europe PMC"} xref: PMID:14530208 {source="Europe PMC"} xref: PMID:14552874 {source="Europe PMC"} xref: PMID:14575889 {source="Europe PMC"} xref: PMID:15046720 {source="Europe PMC"} xref: PMID:15275654 {source="Europe PMC"} xref: PMID:15302677 {source="Europe PMC"} xref: PMID:15601738 {source="Europe PMC"} xref: PMID:15610168 {source="Europe PMC"} xref: PMID:16075189 {source="Europe PMC"} xref: PMID:16171972 {source="Europe PMC"} xref: PMID:16887371 {source="Europe PMC"} xref: PMID:16950410 {source="Europe PMC"} xref: PMID:17145135 {source="Europe PMC"} xref: PMID:17365101 {source="Europe PMC"} xref: PMID:17449162 {source="Europe PMC"} xref: PMID:17595105 {source="Europe PMC"} xref: PMID:17827655 {source="Europe PMC"} xref: PMID:17900376 {source="Europe PMC"} xref: PMID:18199816 {source="Europe PMC"} xref: PMID:19071748 {source="Europe PMC"} xref: PMID:19194159 {source="Europe PMC"} xref: PMID:19200346 {source="Europe PMC"} xref: PMID:19394327 {source="Europe PMC"} xref: PMID:19445923 {source="Europe PMC"} xref: PMID:19617896 {source="Europe PMC"} xref: PMID:19628662 {source="Europe PMC"} xref: PMID:20534469 {source="Europe PMC"} xref: PMID:20810461 {source="Europe PMC"} xref: PMID:20837125 {source="Europe PMC"} xref: PMID:21042643 {source="Europe PMC"} xref: PMID:21109870 {source="Europe PMC"} xref: PMID:21468359 {source="Europe PMC"} xref: PMID:21506420 {source="Europe PMC"} xref: PMID:21532268 {source="Europe PMC"} xref: PMID:21616062 {source="Europe PMC"} xref: PMID:21618309 {source="Europe PMC"} xref: PMID:21666516 {source="Europe PMC"} xref: PMID:21726589 {source="Europe PMC"} xref: PMID:22168233 {source="Europe PMC"} xref: PMID:22417832 {source="Europe PMC"} xref: PMID:23395890 {source="Europe PMC"} xref: PMID:25702781 {source="Europe PMC"} xref: PMID:25877308 {source="Europe PMC"} xref: PMID:25958869 {source="Europe PMC"} xref: PMID:26028680 {source="Europe PMC"} xref: PMID:26173662 {source="Europe PMC"} xref: PMID:26223366 {source="Europe PMC"} xref: PMID:26330182 {source="Europe PMC"} xref: PMID:26416729 {source="Europe PMC"} xref: PMID:26556179 {source="Europe PMC"} xref: PMID:26625339 {source="Europe PMC"} xref: PMID:9918589 {source="Europe PMC"} xref: Reaxys:52979 {source="Reaxys"} xref: Wikipedia:Strychnine is_a: CHEBI:52157 ! organic heteroheptacyclic compound is_a: CHEBI:65323 ! monoterpenoid indole alkaloid relationship: has_parent_hydride CHEBI:36337 ! strychnidine relationship: has_role CHEBI:33288 ! rodenticide relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:48873 ! cholinergic antagonist relationship: has_role CHEBI:62754 ! glycine receptor antagonist relationship: is_conjugate_base_of CHEBI:90700 ! strychnine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QMGVPVSNSZLJIA-FVWCLLPLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "334.41160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "334.16813" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC(=O)N3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H]" xsd:string [Term] id: CHEBI:28976 name: carbonic acid namespace: chebi_ontology alt_id: CHEBI:13351 alt_id: CHEBI:23017 alt_id: CHEBI:23744 alt_id: CHEBI:3401 subset: 3_STAR synonym: "[CO(OH)2]" RELATED [IUPAC] synonym: "Carbonic acid" EXACT [KEGG_COMPOUND] synonym: "carbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Dihydrogen carbonate" RELATED [KEGG_COMPOUND] synonym: "dihydroxidooxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "H2CO3" RELATED [KEGG_COMPOUND] synonym: "H2CO3" RELATED [IUPAC] synonym: "Koehlensaeure" RELATED [ChEBI] xref: CAS:463-79-6 {source="ChemIDplus"} xref: CAS:463-79-6 {source="KEGG COMPOUND"} xref: Gmelin:25554 {source="Gmelin"} xref: KEGG:C01353 xref: PDBeChem:CO3 is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36961 ! chalcocarbonic acid relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:17544 ! hydrogencarbonate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.02478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(O)=O" xsd:string [Term] id: CHEBI:28984 name: aluminium atom namespace: chebi_ontology alt_id: CHEBI:22471 alt_id: CHEBI:2616 subset: 3_STAR synonym: "13Al" RELATED [IUPAC] synonym: "Al" RELATED [KEGG_COMPOUND] synonym: "Al" RELATED [IUPAC] synonym: "aluminio" RELATED [ChEBI] synonym: "Aluminium" RELATED [ChEBI] synonym: "Aluminium" RELATED [KEGG_COMPOUND] synonym: "aluminium" EXACT IUPAC_NAME [IUPAC] synonym: "aluminium" RELATED [ChEBI] synonym: "aluminum" RELATED [NIST_Chemistry_WebBook] xref: CAS:7429-90-5 {source="KEGG COMPOUND"} xref: CAS:7429-90-5 {source="ChemIDplus"} xref: DrugBank:DB01370 xref: Gmelin:16248 {source="Gmelin"} xref: KEGG:C06264 xref: WebElements:Al is_a: CHEBI:33317 ! boron group element atom is_a: CHEBI:33521 ! metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Al" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XAGFODPZIPBFFR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.98154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.98154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Al]" xsd:string [Term] id: CHEBI:29005 name: cyclohexane namespace: chebi_ontology alt_id: CHEBI:23472 alt_id: CHEBI:4009 alt_id: CHEBI:41506 def: "An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon." [] subset: 3_STAR synonym: "Cyclohexan" RELATED [ChemIDplus] synonym: "CYCLOHEXANE" EXACT [PDBeChem] synonym: "Cyclohexane" EXACT [KEGG_COMPOUND] synonym: "cyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "hexahydrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "hexamethylene" RELATED [NIST_Chemistry_WebBook] synonym: "hexanaphthene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1900225 {source="Beilstein"} xref: CAS:110-82-7 {source="NIST Chemistry WebBook"} xref: CAS:110-82-7 {source="ChemIDplus"} xref: CAS:110-82-7 {source="KEGG COMPOUND"} xref: DrugBank:DB03561 xref: Gmelin:1662 {source="Gmelin"} xref: HMDB:HMDB0029597 xref: KEGG:C11249 xref: MetaCyc:CPD-8923 xref: PDBeChem:CHX xref: PMID:11234809 {source="Europe PMC"} xref: PMID:24334480 {source="Europe PMC"} xref: Reaxys:1900225 {source="Reaxys"} xref: Wikipedia:Cyclohexane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23453 ! cycloalkane relationship: has_role CHEBI:48355 ! non-polar solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDTMQSROBMDMFD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.15948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCCC1" xsd:string [Term] id: CHEBI:29007 name: ceftriaxone namespace: chebi_ontology alt_id: CHEBI:23059 alt_id: CHEBI:3513 alt_id: CHEBI:446214 def: "A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups." [] subset: 3_STAR synonym: "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" RELATED [IUPAC] synonym: "7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "ceftriaxona" RELATED INN [ChemIDplus] synonym: "ceftriaxone" RELATED INN [KEGG_DRUG] synonym: "ceftriaxonum" RELATED INN [ChemIDplus] synonym: "rocephin" RELATED [ChEBI] xref: Beilstein:6495519 {source="Beilstein"} xref: CAS:73384-59-5 {source="ChemIDplus"} xref: CAS:73384-59-5 {source="KEGG COMPOUND"} xref: CAS:73384-59-5 {source="KEGG DRUG"} xref: Drug_Central:564 {source="DrugCentral"} xref: DrugBank:DB01212 xref: HMDB:HMDB0015343 xref: KEGG:C06683 xref: KEGG:D07659 xref: MetaCyc:CPD-12294 xref: Patent:GB2022090 xref: Patent:US4327210 xref: PMID:11067716 {source="Europe PMC"} xref: PMID:11285492 {source="Europe PMC"} xref: PMID:11431418 {source="Europe PMC"} xref: PMID:11432680 {source="Europe PMC"} xref: PMID:11529382 {source="Europe PMC"} xref: PMID:11605716 {source="Europe PMC"} xref: PMID:11642230 {source="Europe PMC"} xref: PMID:11760218 {source="Europe PMC"} xref: PMID:11815759 {source="Europe PMC"} xref: PMID:11856984 {source="Europe PMC"} xref: PMID:11875753 {source="Europe PMC"} xref: PMID:11985490 {source="Europe PMC"} xref: PMID:12146884 {source="Europe PMC"} xref: PMID:12426628 {source="Europe PMC"} xref: PMID:12569987 {source="Europe PMC"} xref: PMID:12711894 {source="Europe PMC"} xref: PMID:12797390 {source="Europe PMC"} xref: PMID:12830336 {source="Europe PMC"} xref: PMID:12833570 {source="Europe PMC"} xref: PMID:12868545 {source="Europe PMC"} xref: PMID:1384868 {source="Europe PMC"} xref: PMID:15091234 {source="Europe PMC"} xref: PMID:15106316 {source="Europe PMC"} xref: PMID:15225244 {source="Europe PMC"} xref: PMID:15499067 {source="Europe PMC"} xref: PMID:15828439 {source="Europe PMC"} xref: PMID:15846537 {source="Europe PMC"} xref: PMID:15880392 {source="Europe PMC"} xref: PMID:15886468 {source="Europe PMC"} xref: PMID:16082406 {source="Europe PMC"} xref: PMID:16118675 {source="Europe PMC"} xref: PMID:16161754 {source="Europe PMC"} xref: PMID:16185184 {source="Europe PMC"} xref: PMID:16602117 {source="Europe PMC"} xref: PMID:16640341 {source="ChEMBL"} xref: PMID:16734965 {source="Europe PMC"} xref: PMID:17129840 {source="Europe PMC"} xref: PMID:17173674 {source="Europe PMC"} xref: PMID:17216959 {source="Europe PMC"} xref: PMID:17226043 {source="Europe PMC"} xref: PMID:17347554 {source="Europe PMC"} xref: PMID:17367972 {source="Europe PMC"} xref: PMID:17592517 {source="Europe PMC"} xref: PMID:18246742 {source="Europe PMC"} xref: PMID:18473104 {source="Europe PMC"} xref: PMID:18484523 {source="Europe PMC"} xref: PMID:18611641 {source="Europe PMC"} xref: PMID:18676229 {source="Europe PMC"} xref: PMID:18773080 {source="Europe PMC"} xref: PMID:18977704 {source="Europe PMC"} xref: PMID:19008722 {source="Europe PMC"} xref: PMID:19367098 {source="Europe PMC"} xref: PMID:19423473 {source="Europe PMC"} xref: PMID:19496200 {source="Europe PMC"} xref: PMID:19625514 {source="Europe PMC"} xref: PMID:19649758 {source="Europe PMC"} xref: PMID:21425867 {source="Europe PMC"} xref: PMID:29017833 {source="Europe PMC"} xref: Reaxys:6495519 {source="Reaxys"} xref: Wikipedia:Ceftriaxone is_a: CHEBI:23066 ! cephalosporin is_a: CHEBI:36816 ! oxime O-ether is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:39410 ! 1,2,4-triazines relationship: has_role CHEBI:35625 ! EC 3.5.2.6 (beta-lactamase) inhibitor relationship: has_role CHEBI:36047 ! antibacterial drug relationship: is_conjugate_acid_of CHEBI:53658 ! ceftriaxone(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H18N8O7S3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAAUVRVFOQPIGI-SPQHTLEESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "554.58000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "554.04606" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O" xsd:string [Term] id: CHEBI:29014 name: cordycepin namespace: chebi_ontology alt_id: CHEBI:19841 alt_id: CHEBI:3881 subset: 3_STAR synonym: "3'-deoxyadenosine" EXACT IUPAC_NAME [IUPAC] synonym: "9-(beta-D-3'-Deoxyribofuranosyl)adenine" RELATED [ChemIDplus] synonym: "9-Cordyceposidoadenine" RELATED [ChemIDplus] synonym: "9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-" RELATED [ChemIDplus] synonym: "Cordycepin" EXACT [KEGG_COMPOUND] synonym: "Cordycepine" RELATED [ChemIDplus] xref: Beilstein:0035194 {source="Beilstein"} xref: CAS:73-03-0 {source="ChemIDplus"} xref: KEGG:C08431 xref: KNApSAcK:C00001495 xref: PDBeChem:3AD is_a: CHEBI:22260 ! adenosines is_a: CHEBI:36987 ! 3'-deoxyribonucleoside relationship: has_role CHEBI:25605 ! nucleoside antibiotic relationship: has_role CHEBI:35221 ! antimetabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFEZSBMBBKLLBJ-BAJZRUMYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "251.24190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "251.10184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@H]1O" xsd:string [Term] id: CHEBI:29016 name: arginine namespace: chebi_ontology alt_id: CHEBI:22616 alt_id: CHEBI:2643 def: "An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group." [] subset: 3_STAR synonym: "2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Arginin" RELATED [ChEBI] synonym: "Arginine" EXACT [KEGG_COMPOUND] synonym: "arginine" EXACT IUPAC_NAME [IUPAC] synonym: "Harg" RELATED [IUPAC] xref: Beilstein:1725411 {source="Beilstein"} xref: CAS:7200-25-1 {source="ChemIDplus"} xref: KEGG:C02385 xref: PMID:10848923 {source="Europe PMC"} xref: Reaxys:1725411 {source="Reaxys"} xref: Wikipedia:L-Arginine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: has_part CHEBI:50340 ! 3-carbamimidamidopropyl group relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32695 ! argininate relationship: is_conjugate_base_of CHEBI:32696 ! argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.11168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:29019 name: nonanoic acid namespace: chebi_ontology alt_id: CHEBI:25861 alt_id: CHEBI:7616 def: "A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers." [] subset: 3_STAR synonym: "1-nonanoic acid" RELATED [ChEBI] synonym: "1-octanecarboxylic acid" RELATED [ChEBI] synonym: "CH3-[CH2]7-COOH" RELATED [IUPAC] synonym: "n-nonanoic acid" RELATED [ChEBI] synonym: "n-nonanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Nonanoate" RELATED [KEGG_COMPOUND] synonym: "Nonanoic acid" EXACT [KEGG_COMPOUND] synonym: "nonanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Nonansaeure" RELATED [ChEBI] synonym: "nonoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "nonylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "pelargic acid" RELATED [ChEBI] synonym: "pelargon" RELATED [ChEBI] synonym: "Pelargonic acid" RELATED [KEGG_COMPOUND] synonym: "Pelargonsaeure" RELATED [ChEBI] synonym: "pergonic acid" RELATED [ChEBI] xref: Beilstein:1752351 {source="Beilstein"} xref: BPDB:1327 xref: CAS:112-05-0 {source="NIST Chemistry WebBook"} xref: CAS:112-05-0 {source="ChemIDplus"} xref: CAS:112-05-0 {source="KEGG COMPOUND"} xref: Gmelin:185341 {source="Gmelin"} xref: KEGG:C01601 xref: KNApSAcK:C00030829 xref: LIPID_MAPS_instance:LMFA01010009 {source="LIPID MAPS"} xref: MetaCyc:CPD-8505 xref: PMID:11413921 {source="Europe PMC"} xref: PMID:16124228 {source="Europe PMC"} xref: PMID:19274268 {source="Europe PMC"} xref: PMID:20673187 {source="Europe PMC"} xref: Reaxys:1752351 {source="Reaxys"} xref: Wikipedia:Nonanoic_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_parent_hydride CHEBI:32892 ! nonane relationship: has_role CHEBI:22583 ! antifeedant relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:32361 ! nonanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBUKVWPVBMHYJY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "158.23800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "158.13068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:29021 name: hexane namespace: chebi_ontology alt_id: CHEBI:10606 alt_id: CHEBI:24566 alt_id: CHEBI:24568 alt_id: CHEBI:43148 def: "An unbranched alkane containing six carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]4-CH3" RELATED [IUPAC] synonym: "Hexan" RELATED [ChEBI] synonym: "HEXANE" EXACT [PDBeChem] synonym: "Hexane" EXACT [KEGG_COMPOUND] synonym: "hexane" EXACT IUPAC_NAME [IUPAC] synonym: "n-Hexane" RELATED [KEGG_COMPOUND] xref: Beilstein:1730733 {source="Beilstein"} xref: CAS:110-54-3 {source="KEGG COMPOUND"} xref: CAS:110-54-3 {source="NIST Chemistry WebBook"} xref: CAS:110-54-3 {source="ChemIDplus"} xref: DrugBank:DB02764 xref: Gmelin:1985 {source="Gmelin"} xref: HMDB:HMDB0029600 xref: KEGG:C11271 xref: LIPID_MAPS_instance:LMFA11000007 {source="LIPID MAPS"} xref: PDBeChem:HEX xref: PMID:11292478 {source="Europe PMC"} xref: PMID:11684179 {source="Europe PMC"} xref: PMID:11886809 {source="Europe PMC"} xref: PMID:15325316 {source="Europe PMC"} xref: PMID:18231777 {source="Europe PMC"} xref: PMID:19229957 {source="Europe PMC"} xref: PMID:19384711 {source="Europe PMC"} xref: PMID:23452516 {source="Europe PMC"} xref: PMID:23567114 {source="Europe PMC"} xref: PMID:23620851 {source="Europe PMC"} xref: PMID:23740543 {source="Europe PMC"} xref: PMID:23822317 {source="Europe PMC"} xref: PMID:23931182 {source="Europe PMC"} xref: PMID:7612176 {source="Europe PMC"} xref: Reaxys:1730733 {source="Reaxys"} xref: Wikipedia:Hexane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLKZOEOYAKHREP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.17536" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.10955" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC" xsd:string [Term] id: CHEBI:29027 name: trans-1,2-dichloroethene namespace: chebi_ontology alt_id: CHEBI:10701 alt_id: CHEBI:18808 subset: 3_STAR synonym: "(E)-1,2-dichloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-1,2-dichloroethylene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-trans-dichloroethylene" RELATED [NIST_Chemistry_WebBook] synonym: "trans-1,2-Dichloroethene" EXACT [KEGG_COMPOUND] synonym: "trans-1,2-dichloroethylene" RELATED [ChemIDplus] synonym: "trans-Acetylene dichloride" RELATED [KEGG_COMPOUND] synonym: "trans-dichloroethylene" RELATED [ChemIDplus] xref: Beilstein:1420761 {source="ChemIDplus"} xref: CAS:156-60-5 {source="NIST Chemistry WebBook"} xref: CAS:156-60-5 {source="ChemIDplus"} xref: CAS:540-59-0 {source="KEGG COMPOUND"} xref: Gmelin:259701 {source="Gmelin"} xref: KEGG:C06791 xref: UM-BBD_compID:c0034 {source="UM-BBD"} is_a: CHEBI:18882 ! 1,2-dichloroethene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KFUSEUYYWQURPO-OWOJBTEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.94268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl\\C=C\\Cl" xsd:string [Term] id: CHEBI:29032 name: (R)-pantothenate namespace: chebi_ontology alt_id: CHEBI:11008 alt_id: CHEBI:18700 def: "A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-)" RELATED [ChemIDplus] synonym: "(R)-Pantothenate" EXACT [KEGG_COMPOUND] synonym: "(R)-pantothenate" EXACT [UniProt] synonym: "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pantothenate" RELATED [ChemIDplus] xref: CAS:20938-62-9 {source="ChemIDplus"} xref: Gmelin:775395 {source="Gmelin"} xref: MetaCyc:PANTOTHENATE xref: PMID:15565250 {source="Europe PMC"} xref: PMID:16042590 {source="Europe PMC"} xref: Reaxys:3907450 {source="Reaxys"} is_a: CHEBI:16454 ! pantothenate is_a: CHEBI:176840 ! vitamin B5 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:46905 ! (R)-pantothenic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-ZETCQYMHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.22708" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.10340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O" xsd:string [Term] id: CHEBI:29033 name: iron(2+) namespace: chebi_ontology alt_id: CHEBI:13319 alt_id: CHEBI:13321 alt_id: CHEBI:21129 alt_id: CHEBI:24876 alt_id: CHEBI:34754 alt_id: CHEBI:49599 subset: 3_STAR synonym: "FE (II) ION" RELATED [] synonym: "Fe(2+)" RELATED [] synonym: "Fe(II)" RELATED [] synonym: "Fe2+" RELATED [] synonym: "Ferrous ion" RELATED [] synonym: "iron ion(2+)" RELATED [] synonym: "Iron(2+)" EXACT [] synonym: "iron(2+)" EXACT [] synonym: "iron(2+) ion" EXACT [] synonym: "iron(II) cation" EXACT [] xref: CAS:15438-31-0 xref: Gmelin:6845 xref: KEGG:C14818 xref: PDBeChem:FE2 is_a: CDNO:0000026 ! dietary iron property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWYNVVGOOAEACU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.84500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe++]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:29034 name: iron(3+) namespace: chebi_ontology alt_id: CHEBI:13320 alt_id: CHEBI:21130 alt_id: CHEBI:24877 alt_id: CHEBI:34755 alt_id: CHEBI:49595 subset: 3_STAR synonym: "FE (III) ION" RELATED [PDBeChem] synonym: "Fe(3+)" RELATED [IUPAC] synonym: "Fe(3+)" RELATED [UniProt] synonym: "Fe(III)" RELATED [KEGG_COMPOUND] synonym: "Fe3+" RELATED [KEGG_COMPOUND] synonym: "Ferric ion" RELATED [KEGG_COMPOUND] synonym: "ferric iron" RELATED [ChEBI] synonym: "Iron(3+)" EXACT [KEGG_COMPOUND] synonym: "iron(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "iron(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "iron(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "iron, ion (Fe(3+))" RELATED [ChemIDplus] xref: CAS:20074-52-6 {source="ChemIDplus"} xref: Gmelin:15986 {source="Gmelin"} xref: KEGG:C14819 xref: PDBeChem:FE is_a: CHEBI:24875 ! iron cation is_a: CHEBI:27153 ! monoatomic trication relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTLYFUHAOXGGBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.84500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93329" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe+3]" xsd:string [Term] id: CHEBI:29036 name: copper(2+) namespace: chebi_ontology alt_id: CHEBI:20882 alt_id: CHEBI:23380 alt_id: CHEBI:49550 def: "An ion of copper carrying a double positive charge." [] subset: 3_STAR synonym: "COPPER (II) ION" RELATED [PDBeChem] synonym: "copper(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "copper(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" RELATED [ChEBI] synonym: "copper, ion (Cu2+)" RELATED [ChemIDplus] synonym: "Cu(2+)" RELATED [UniProt] synonym: "Cu(II)" RELATED [ChEBI] synonym: "Cu2+" RELATED [ChEBI] synonym: "cupric ion" RELATED [ChEBI] xref: CAS:15158-11-9 {source="ChemIDplus"} xref: Gmelin:6855 {source="Gmelin"} xref: PDBeChem:CU xref: PMID:23900424 {source="Europe PMC"} xref: PMID:24168430 {source="Europe PMC"} xref: Reaxys:3587177 {source="Reaxys"} is_a: CDNO:0000023 ! dietary copper is_a: CHEBI:23378 ! copper cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPVYNHNXODAKFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.54600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu++]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:2904 name: atenolol namespace: chebi_ontology def: "An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent." [] subset: 3_STAR synonym: "1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide" RELATED [ChemIDplus] synonym: "4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide" RELATED [ChemIDplus] synonym: "atenolol" RELATED INN [KEGG_DRUG] synonym: "atenololum" RELATED INN [ChemIDplus] xref: Beilstein:2739235 {source="Beilstein"} xref: CAS:29122-68-7 {source="ChemIDplus"} xref: CAS:29122-68-7 {source="DrugBank"} xref: CAS:29122-68-7 {source="NIST Chemistry WebBook"} xref: CAS:29122-68-7 {source="KEGG DRUG"} xref: Drug_Central:255 {source="DrugCentral"} xref: DrugBank:DB00335 xref: Gmelin:2179742 {source="Gmelin"} xref: HMDB:HMDB0001924 xref: KEGG:D00235 xref: LINCS:LSM-4355 xref: Patent:DE2007751 xref: Patent:US3663607 xref: Patent:US3836671 xref: PMID:23581644 {source="Europe PMC"} xref: PMID:9813739 {source="Europe PMC"} xref: Reaxys:2739235 {source="Reaxys"} xref: VSDB:2965 xref: Wikipedia:Atenolol is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35533 ! propanolamine relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:66991 ! sympatholytic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "METKIMKYRPQLGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.33610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.16304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1" xsd:string [Term] id: CHEBI:29067 name: carboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13626 alt_id: CHEBI:13945 alt_id: CHEBI:23026 alt_id: CHEBI:58657 def: "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated." [] subset: 3_STAR synonym: "a carboxylate" RELATED [UniProt] synonym: "carboxylic acid anions" RELATED [ChEBI] synonym: "carboxylic anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:29069 name: phthalic acid namespace: chebi_ontology alt_id: CHEBI:14832 alt_id: CHEBI:26093 alt_id: CHEBI:44902 alt_id: CHEBI:8174 def: "A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions." [] subset: 3_STAR synonym: "1,2-Benzenedicarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "benzene-1,2-dicarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "o-benzenedicarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "ortho-phthalic acid" RELATED [ChEBI] synonym: "PHTHALIC ACID" EXACT [PDBeChem] synonym: "Phthalic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:608199 {source="Beilstein"} xref: CAS:88-99-3 {source="ChemIDplus"} xref: CAS:88-99-3 {source="NIST Chemistry WebBook"} xref: CAS:88-99-3 {source="KEGG COMPOUND"} xref: DrugBank:DB02746 xref: Gmelin:27343 {source="Gmelin"} xref: KEGG:C01606 xref: PDBeChem:PHT xref: PMID:10682108 {source="Europe PMC"} xref: PMID:15016950 {source="Europe PMC"} xref: PMID:16804812 {source="Europe PMC"} xref: PMID:9838120 {source="Europe PMC"} xref: Reaxys:608199 {source="Reaxys"} xref: Wikipedia:Phthalic_acid is_a: CHEBI:26094 ! benzenedicarboxylic acid relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:30800 ! phthalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNGIFLGASWRNHJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.13084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.02661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccc1C(O)=O" xsd:string [Term] id: CHEBI:29073 name: L-ascorbic acid namespace: chebi_ontology alt_id: CHEBI:21240 alt_id: CHEBI:2868 alt_id: CHEBI:40892 alt_id: CHEBI:43473 def: "The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate." [] subset: 3_STAR synonym: "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "acide ascorbique" RELATED INN [ChemIDplus] synonym: "acido ascorbico" RELATED INN [ChemIDplus] synonym: "acidum ascorbicum" RELATED INN [ChemIDplus] synonym: "acidum ascorbinicum" RELATED [ChemIDplus] synonym: "Ascoltin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "ASCORBIC ACID" RELATED [PDBeChem] synonym: "Ascorbic acid" RELATED [KEGG_COMPOUND] synonym: "ascorbic acid" RELATED INN [KEGG_DRUG] synonym: "Ascorbicap" RELATED [KEGG_DRUG] synonym: "Ascorbinsaeure" RELATED [ChEBI] synonym: "E 300" RELATED [ChEBI] synonym: "E-300" RELATED [ChEBI] synonym: "E300" RELATED [ChEBI] synonym: "L-(+)-ascorbic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Ascorbate" RELATED [KEGG_COMPOUND] synonym: "L-Ascorbic acid" EXACT [KEGG_COMPOUND] synonym: "L-threo-hex-2-enono-1,4-lactone" EXACT IUPAC_NAME [IUPAC] synonym: "Vitamin C" RELATED [KEGG_COMPOUND] xref: Beilstein:84272 {source="Beilstein"} xref: BPDB:2405 xref: CAS:50-81-7 {source="KEGG COMPOUND"} xref: CAS:50-81-7 {source="ChemIDplus"} xref: CAS:50-81-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:4072 {source="DrugCentral"} xref: DrugBank:DB00126 xref: Gmelin:4087 {source="Gmelin"} xref: HMDB:HMDB0000044 xref: KEGG:C00072 xref: KEGG:D00018 xref: KNApSAcK:C00001179 xref: MetaCyc:ASCORBATE xref: PDBeChem:ASC xref: PMID:10799361 {source="Europe PMC"} xref: PMID:12180551 {source="Europe PMC"} xref: PMID:12569111 {source="Europe PMC"} xref: PMID:15917019 {source="Europe PMC"} xref: PMID:15925292 {source="Europe PMC"} xref: PMID:15949874 {source="Europe PMC"} xref: PMID:16425787 {source="Europe PMC"} xref: PMID:16522902 {source="Europe PMC"} xref: PMID:16611389 {source="Europe PMC"} xref: PMID:16725131 {source="Europe PMC"} xref: PMID:17253561 {source="Europe PMC"} xref: PMID:17623524 {source="Europe PMC"} xref: PMID:17636648 {source="Europe PMC"} xref: PMID:18813862 {source="Europe PMC"} xref: PMID:19273781 {source="Europe PMC"} xref: PMID:19580823 {source="Europe PMC"} xref: PMID:19692922 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:3015170 {source="Europe PMC"} xref: PMID:491997 {source="Europe PMC"} xref: PMID:5477017 {source="Europe PMC"} xref: PMID:7711198 {source="Europe PMC"} xref: PMID:8467348 {source="Europe PMC"} xref: PMID:8726814 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} xref: Reaxys:84272 {source="Reaxys"} xref: Wikipedia:Ascorbic_Acid is_a: CHEBI:176783 ! vitamin C is_a: CHEBI:22652 ! ascorbic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:23354 ! coenzyme relationship: has_role CHEBI:64577 ! flour treatment agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77962 ! food antioxidant relationship: has_role CHEBI:85046 ! skin lightening agent relationship: is_conjugate_acid_of CHEBI:38290 ! L-ascorbate relationship: is_enantiomer_of CHEBI:51384 ! D-ascorbic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.12410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.03209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:29075 name: mononucleotide namespace: chebi_ontology alt_id: CHEBI:14616 alt_id: CHEBI:25404 alt_id: CHEBI:6983 subset: 3_STAR synonym: "Mononucleotide" EXACT [KEGG_COMPOUND] synonym: "mononucleotides" RELATED [ChEBI] xref: KEGG:C02171 is_a: CHEBI:36976 ! nucleotide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.103" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.01641" xsd:string [Term] id: CHEBI:29101 name: sodium(1+) namespace: chebi_ontology alt_id: CHEBI:26717 alt_id: CHEBI:49766 alt_id: CHEBI:9175 def: "A monoatomic monocation obtained from sodium." [] subset: 3_STAR synonym: "Na(+)" RELATED [UniProt] synonym: "Na(+)" RELATED [IUPAC] synonym: "Na+" RELATED [KEGG_COMPOUND] synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC] synonym: "SODIUM ION" RELATED [PDBeChem] synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:17341-25-2 {source="ChemIDplus"} xref: CAS:17341-25-2 {source="NIST Chemistry WebBook"} xref: Gmelin:15196 {source="Gmelin"} xref: KEGG:C01330 xref: PDBeChem:NA is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37246 ! elemental sodium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+]" xsd:string [Term] id: CHEBI:29103 name: potassium(1+) namespace: chebi_ontology alt_id: CHEBI:26219 alt_id: CHEBI:49685 alt_id: CHEBI:8345 def: "A monoatomic monocation obtained from potassium." [] subset: 3_STAR synonym: "K(+)" RELATED [UniProt] synonym: "K(+)" RELATED [IUPAC] synonym: "K+" RELATED [KEGG_COMPOUND] synonym: "potassium cation" EXACT IUPAC_NAME [IUPAC] synonym: "POTASSIUM ION" RELATED [PDBeChem] synonym: "potassium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:24203-36-9 {source="NIST Chemistry WebBook"} xref: Gmelin:15203 {source="Gmelin"} xref: KEGG:C00238 xref: KEGG:D08403 xref: PDBeChem:K is_a: CDNO:0000019 ! dietary potassium is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:37247 ! elemental potassium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NPYPAHLBTDXSSS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:29108 name: calcium(2+) namespace: chebi_ontology alt_id: CHEBI:22988 alt_id: CHEBI:3308 alt_id: CHEBI:48760 subset: 3_STAR synonym: "Ca(2+)" RELATED [IUPAC] synonym: "Ca(2+)" RELATED [UniProt] synonym: "Ca2+" RELATED [KEGG_COMPOUND] synonym: "CALCIUM ION" RELATED [PDBeChem] synonym: "calcium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "calcium, doubly charged positive ion" RELATED [NIST_Chemistry_WebBook] xref: CAS:14127-61-8 {source="ChemIDplus"} xref: CAS:14127-61-8 {source="NIST Chemistry WebBook"} xref: Gmelin:6850 {source="Gmelin"} xref: KEGG:C00076 xref: PDBeChem:CA is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:39123 ! calcium cation is_a: CHEBI:60240 ! divalent metal cation relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHPQYMZQTOCNFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.07800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96149" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++]" xsd:string [Term] id: CHEBI:2911 name: atorvastatin calcium trihydrate namespace: chebi_ontology def: "A hydrate that is the trihydrate form of atorvastatin calcium." [] subset: 3_STAR synonym: "calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} trihydrate" EXACT IUPAC_NAME [IUPAC] synonym: "Cardyl" RELATED BRAND_NAME [DrugBank] synonym: "Sortis" RELATED BRAND_NAME [DrugBank] synonym: "Torvast" RELATED BRAND_NAME [DrugBank] synonym: "Totalip" RELATED BRAND_NAME [DrugBank] xref: CAS:344423-98-9 {source="KEGG DRUG"} xref: DrugBank:DB01076 xref: KEGG:D00887 xref: KEGG:D02258 xref: Reaxys:14390286 {source="Reaxys"} is_a: CHEBI:35505 ! hydrate is_a: CHEBI:87635 ! statin (synthetic) relationship: has_part CHEBI:50686 ! atorvastatin calcium relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C33H34FN2O5)2.3H2O.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C66H74CaF2N4O13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHZPNDRIDUBNMH-NIJVSVLQSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1209.38773" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1208.48464" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O.O.O.[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O" xsd:string [Term] id: CHEBI:29133 name: dextrorphan namespace: chebi_ontology subset: 3_STAR synonym: "(+)-3-hydroxy-N-methylmorphinan" RELATED [ChemIDplus] synonym: "17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "d-3-hydroxy-N-methylmorphinan" RELATED [ChemIDplus] synonym: "dextrorphan" RELATED INN [ChemIDplus] synonym: "dextrorphane" RELATED INN [ChemIDplus] synonym: "dextrorphanum" RELATED INN [ChemIDplus] xref: Beilstein:88093 {source="Beilstein"} xref: CAS:125-73-5 {source="ChemIDplus"} xref: LINCS:LSM-36603 is_a: CHEBI:25418 ! morphinane alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H23NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JAQUASYNZVUNQP-PVAVHDDUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.37066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.17796" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CCCC[C@]11CCN(C)[C@H]2Cc2ccc(O)cc12" xsd:string [Term] id: CHEBI:29192 name: hydrogenperoxide(1-) namespace: chebi_ontology subset: 3_STAR synonym: "[HO2](-)" RELATED [ChEBI] synonym: "dioxidanide" EXACT IUPAC_NAME [IUPAC] synonym: "HO2(-)" RELATED [IUPAC] synonym: "HOO anion" RELATED [NIST_Chemistry_WebBook] synonym: "HOO(-)" RELATED [ChEBI] synonym: "hydrogen(peroxide)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogendioxide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenperoxide(1-)" EXACT [IUPAC] xref: CAS:14691-59-9 {source="ChemIDplus"} xref: CAS:14691-59-9 {source="NIST Chemistry WebBook"} xref: Gmelin:507 {source="Gmelin"} is_a: CHEBI:33693 ! oxygen hydride relationship: is_conjugate_base_of CHEBI:16240 ! hydrogen peroxide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O2/c1-2/h1-2H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MHAJPDPJQMAIIY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.00674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.99820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[O-]" xsd:string [Term] id: CHEBI:29195 name: cyanate namespace: chebi_ontology alt_id: CHEBI:14037 alt_id: CHEBI:23419 subset: 3_STAR synonym: "[C(N)O](-)" RELATED [IUPAC] synonym: "Cyanat" RELATED [ChEBI] synonym: "cyanate" EXACT [UniProt] synonym: "cyanate" EXACT IUPAC_NAME [IUPAC] synonym: "cyanate ion" RELATED [ChemIDplus] synonym: "nitridooxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "OCN(-)" RELATED [IUPAC] synonym: "Zyanat" RELATED [ChEBI] xref: CAS:661-20-1 {source="UM-BBD"} xref: CAS:71000-82-3 {source="KEGG COMPOUND"} xref: CAS:71000-82-3 {source="ChemIDplus"} xref: FooDB:FDB022835 xref: HMDB:HMDB0002078 xref: KEGG:C01417 xref: MetaCyc:CPD-69 xref: PMID:8323034 {source="Europe PMC"} xref: UM-BBD_compID:c0568 {source="UM-BBD"} is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28024 ! cyanic acid relationship: is_conjugate_base_of CHEBI:29202 ! isocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNO/c2-1-3/h3H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLJMAIOERFSOGZ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99854" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C#N" xsd:string [Term] id: CHEBI:29200 name: thiocyanic acid namespace: chebi_ontology alt_id: CHEBI:26956 alt_id: CHEBI:9550 def: "A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom." [] subset: 3_STAR synonym: "[C(N)(SH)]" RELATED [IUPAC] synonym: "[CN(SH)]" RELATED [IUPAC] synonym: "HS-C#N" RELATED [ChEBI] synonym: "HSCN" RELATED [IUPAC] synonym: "N#C-SH" RELATED [ChEBI] synonym: "nitridosulfanidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "Thiocyanic acid" EXACT [KEGG_COMPOUND] synonym: "thiocyanic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:463-56-9 {source="ChemIDplus"} xref: CAS:463-56-9 {source="KEGG COMPOUND"} xref: Gmelin:25178 {source="Gmelin"} xref: KEGG:C01755 xref: PDBeChem:SCN is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:18022 ! thiocyanate relationship: is_tautomer_of CHEBI:24928 ! isothiocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNS/c2-1-3/h3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMZDMBWJUHKJPS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.09000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.98297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC#N" xsd:string [Term] id: CHEBI:29202 name: isocyanic acid namespace: chebi_ontology def: "A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology." [] subset: 3_STAR synonym: "[C(NH)O]" RELATED [IUPAC] synonym: "carbimide" RELATED [ChEBI] synonym: "HN=C=O" RELATED [NIST_Chemistry_WebBook] synonym: "HNCO" RELATED [IUPAC] synonym: "hydrogen isocyanate" RELATED [NIST_Chemistry_WebBook] synonym: "ICA" RELATED [ChEBI] synonym: "isocyanate" RELATED [UniProt] synonym: "isocyanic acid" EXACT IUPAC_NAME [IUPAC] synonym: "isocyansaeure" RELATED [ChEBI] synonym: "isozyansaeure" RELATED [ChEBI] synonym: "methenamide" RELATED [ChEBI] synonym: "oxidoazanediidocarbon" RELATED [IUPAC] xref: Beilstein:1616281 {source="Beilstein"} xref: CAS:75-13-8 {source="ChemIDplus"} xref: CAS:75-13-8 {source="NIST Chemistry WebBook"} xref: Gmelin:840 {source="Gmelin"} xref: PMID:19494520 {source="Europe PMC"} xref: PMID:26124058 {source="Europe PMC"} xref: PMID:26760716 {source="Europe PMC"} xref: PMID:977566 {source="Europe PMC"} xref: Reaxys:1616281 {source="Reaxys"} is_a: CHEBI:33405 ! hydracid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:29195 ! cyanate relationship: is_tautomer_of CHEBI:28024 ! cyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHNO/c2-1-3/h2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWIKHYCFFJSOEH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.02478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=C=O" xsd:string [Term] id: CHEBI:29213 name: sulfinic acid namespace: chebi_ontology subset: 3_STAR synonym: "[SHO(OH)]" RELATED [IUPAC] synonym: "HSHO2" RELATED [IUPAC] synonym: "hydridohydroxidooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfinic acid" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:404610 {source="Gmelin"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:9341 ! sulfinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O2S/c1-3-2/h3H,(H,1,2)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUUPQKDIAURBJP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "66.08068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "65.97755" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S(O)=O" xsd:string [Term] id: CHEBI:29214 name: sulfonic acid namespace: chebi_ontology subset: 3_STAR synonym: "[SHO2(OH)]" RELATED [IUPAC] synonym: "acide sulfonique" RELATED [ChEBI] synonym: "HSHO3" RELATED [IUPAC] synonym: "hydridohydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfonsaeure" RELATED [ChEBI] synonym: "sulphonic acid" RELATED [ChEBI] xref: Gmelin:1404640 {source="Gmelin"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:33543 ! sulfonate relationship: is_tautomer_of CHEBI:48854 ! sulfurous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S(O)(=O)=O" xsd:string [Term] id: CHEBI:29221 name: perchloric acid namespace: chebi_ontology subset: 3_STAR synonym: "[ClO3(OH)]" RELATED [IUPAC] synonym: "HClO4" RELATED [IUPAC] synonym: "hydroxidotrioxidochlorine" EXACT IUPAC_NAME [IUPAC] synonym: "perchloric acid" EXACT IUPAC_NAME [IUPAC] synonym: "Perchlorsaeure" RELATED [ChEBI] synonym: "Ueberchlorsaeure" RELATED [ChEBI] xref: CAS:7601-90-3 {source="NIST Chemistry WebBook"} xref: CAS:7601-90-3 {source="ChemIDplus"} xref: Gmelin:2137 {source="Gmelin"} is_a: CHEBI:33426 ! chlorine oxoacid relationship: is_conjugate_acid_of CHEBI:49706 ! perchlorate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClHO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLTRZXGMWDSKGL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.45824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.95634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OCl(=O)(=O)=O" xsd:string [Term] id: CHEBI:29222 name: hypochlorite namespace: chebi_ontology subset: 3_STAR synonym: "[ClO](-)" RELATED [IUPAC] synonym: "ClO(-)" RELATED [IUPAC] synonym: "Hypochlorit" RELATED [ChEBI] synonym: "hypochlorite" EXACT IUPAC_NAME [IUPAC] synonym: "oxidochlorate(1-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14380-61-1 {source="ChemIDplus"} xref: Gmelin:682 {source="Gmelin"} xref: Wikipedia:Hypochlorite is_a: CHEBI:17996 ! chloride is_a: CHEBI:33437 ! chlorine oxoanion is_a: CHEBI:37750 ! chlorine oxide relationship: is_conjugate_base_of CHEBI:24757 ! hypochlorous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClO/c1-2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQYVRQLZKVEZGA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "51.45210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "50.96432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]Cl" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:29223 name: bromate namespace: chebi_ontology subset: 3_STAR synonym: "[BrO3](-)" RELATED [ChEBI] synonym: "BrO3(-)" RELATED [IUPAC] synonym: "Bromat" RELATED [ChEBI] synonym: "bromate" EXACT [IUPAC] synonym: "trioxidobromate(1-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:15541-45-4 {source="ChemIDplus"} xref: Gmelin:1888 {source="Gmelin"} is_a: CHEBI:33444 ! bromine oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:49382 ! bromic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SXDBWCPKPHAZSM-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "127.90220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90363" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]Br(=O)=O" xsd:string [Term] id: CHEBI:29228 name: hydrogen fluoride namespace: chebi_ontology def: "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." [] subset: 3_STAR synonym: "[HF]" RELATED [IUPAC] synonym: "fluorane" EXACT IUPAC_NAME [IUPAC] synonym: "Fluoride" RELATED [KEGG_COMPOUND] synonym: "fluoridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "fluorure d'hydrogene" RELATED [ChEBI] synonym: "Fluorwasserstoff" RELATED [ChEBI] synonym: "HF" RELATED [IUPAC] synonym: "hydrofluoric acid" RELATED [ChemIDplus] synonym: "Hydrogen fluoride" EXACT [KEGG_COMPOUND] synonym: "hydrogen fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenfluorid" RELATED [ChEBI] xref: CAS:7664-39-3 {source="NIST Chemistry WebBook"} xref: CAS:7664-39-3 {source="ChemIDplus"} xref: CAS:7664-39-3 {source="KEGG COMPOUND"} xref: Drug_Central:4499 {source="DrugCentral"} xref: Gmelin:166 {source="Gmelin"} xref: KEGG:C16487 is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:17051 ! fluoride relationship: is_conjugate_base_of CHEBI:50314 ! fluoronium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FH" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "20.00634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.00623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[H]" xsd:string [Term] id: CHEBI:29242 name: arsenite(1-) namespace: chebi_ontology def: "An arsenite ion resulting from the removal of a proton from one of the hydroxy groups of arsenous acid." [] subset: 3_STAR synonym: "[AsO(OH)2](-)" RELATED [IUPAC] synonym: "arsenite" RELATED [UniProt] synonym: "dihydrogen arsenite" RELATED [IUPAC] synonym: "dihydroxidooxidoarsenate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2AsO3(-)" RELATED [ChEBI] is_a: CHEBI:22633 ! arsenite ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29243 ! arsenite(2-) relationship: is_conjugate_base_of CHEBI:49900 ! arsenous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH2O3/c2-1(3)4/h2-3H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQLMHYSWFMLWBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.93568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.92254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[As](O)[O-]" xsd:string [Term] id: CHEBI:29243 name: arsenite(2-) namespace: chebi_ontology def: "An arsenite ion resulting from the removal of a proton from two of the hydroxy groups of arsenous acid." [] subset: 3_STAR synonym: "[AsO2(OH)](2-)" RELATED [IUPAC] synonym: "HAsO3(2-)" RELATED [ChEBI] synonym: "hydrogen arsenite" RELATED [IUPAC] synonym: "hydroxidodioxidoarsenate(2-)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22633 ! arsenite ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29866 ! arsenite(3-) relationship: is_conjugate_base_of CHEBI:29242 ! arsenite(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsHO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsHO3/c2-1(3)4/h2H/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJFGWSIMCQVVJS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.92774" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.91526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[As]([O-])[O-]" xsd:string [Term] id: CHEBI:29256 name: thiol namespace: chebi_ontology alt_id: CHEBI:13443 alt_id: CHEBI:13696 alt_id: CHEBI:17366 alt_id: CHEBI:26969 alt_id: CHEBI:8766 alt_id: CHEBI:9556 def: "An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety." [] subset: 3_STAR synonym: "a thiol" RELATED [UniProt] synonym: "Mercaptan" RELATED [KEGG_COMPOUND] synonym: "mercaptans" RELATED [ChEBI] synonym: "Merkaptan" RELATED [ChEBI] synonym: "RSH" RELATED [IUPAC] synonym: "Thiol" EXACT [KEGG_COMPOUND] synonym: "thiols" EXACT IUPAC_NAME [IUPAC] synonym: "thiols" RELATED [ChEBI] xref: KEGG:C00145 xref: Wikipedia:Thiol is_a: CHEBI:33261 ! organosulfur compound relationship: has_part CHEBI:29917 ! thiol group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.07300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S[*]" xsd:string [Term] id: CHEBI:29258 name: dihydrogenphosphite namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of phosphorous acid." [] subset: 3_STAR synonym: "[PO(OH)2] (-)" RELATED [IUPAC] synonym: "dihydrogen phosphite" RELATED [ChEBI] synonym: "dihydrogen(trioxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogenphosphite" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidooxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PO3(-)" RELATED [IUPAC] xref: Gmelin:558293 {source="Gmelin"} is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29259 ! hydrogenphosphite relationship: is_conjugate_base_of CHEBI:36361 ! phosphorous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3P/c1-4(2)3/h1-2H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BLBIZNCSZLTDPW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.98784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.97470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP([O-])O[H]" xsd:string [Term] id: CHEBI:29259 name: hydrogenphosphite namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid." [] subset: 3_STAR synonym: "[PO2(OH)](2-)" RELATED [IUPAC] synonym: "HPO3(2-)" RELATED [IUPAC] synonym: "hydrogen phosphite" RELATED [IUPAC] synonym: "hydrogen(trioxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphite" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:323302 {source="Gmelin"} is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:45064 ! phosphite(3-) relationship: is_conjugate_base_of CHEBI:29258 ! dihydrogenphosphite property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HO3P/c1-4(2)3/h1H/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GBHRVZIGDIUCJB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.96743" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP([O-])[O-]" xsd:string [Term] id: CHEBI:29277 name: dinitride(2-) namespace: chebi_ontology subset: 3_STAR synonym: "diazenediide" EXACT IUPAC_NAME [IUPAC] synonym: "dinitride(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "N2(2-)" RELATED [IUPAC] xref: Gmelin:1565041 {source="Gmelin"} is_a: CHEBI:33266 ! diatomic nitrogen relationship: is_conjugate_base_of CHEBI:30103 ! diazenide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N2/c1-2/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZZJUZUZJRQHLZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00725" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N-]=[N-]" xsd:string [Term] id: CHEBI:29278 name: dinitride(4-) namespace: chebi_ontology subset: 3_STAR synonym: "diazanetetraide" EXACT IUPAC_NAME [IUPAC] synonym: "dinitride(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "N2(4-)" RELATED [IUPAC] is_a: CHEBI:33266 ! diatomic nitrogen relationship: is_conjugate_base_of CHEBI:30104 ! diazanetriide property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N2/c1-2/q-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UXMOGIXOTMNDOH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00834" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N--][N--]" xsd:string [Term] id: CHEBI:29281 name: alkyl sulfate namespace: chebi_ontology alt_id: CHEBI:13810 alt_id: CHEBI:22325 alt_id: CHEBI:2583 subset: 3_STAR synonym: "alkyl sulfates" RELATED [ChEBI] is_a: CHEBI:25704 ! organic sulfate is_a: CHEBI:26819 ! sulfuric ester relationship: is_conjugate_acid_of CHEBI:83414 ! alkyl sulfate(1-) [Term] id: CHEBI:29287 name: gold atom namespace: chebi_ontology subset: 3_STAR synonym: "79Au" RELATED [IUPAC] synonym: "Au" RELATED [IUPAC] synonym: "aurum" RELATED [IUPAC] synonym: "Gold" RELATED [ChEBI] synonym: "gold" EXACT IUPAC_NAME [IUPAC] synonym: "gold" RELATED [ChEBI] synonym: "or" RELATED [ChEBI] synonym: "oro" RELATED [ChEBI] xref: CAS:7440-57-5 {source="ChemIDplus"} xref: WebElements:Au is_a: CHEBI:33366 ! copper group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Au" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Au" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PCHJSUWPFVWCPO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.96655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.96657" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Au]" xsd:string [Term] id: CHEBI:29290 name: thionyl chloride namespace: chebi_ontology def: "A sulfinyl halide in which both of the halide atoms are chorines." [] subset: 3_STAR synonym: "[SCl2O]" RELATED [IUPAC] synonym: "dichloridooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "SOCl2" RELATED [IUPAC] synonym: "Sulfinyl chloride" RELATED [ChemIDplus] synonym: "Sulfinyl dichloride" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfur chloride oxide" RELATED [ChemIDplus] synonym: "sulfur dichloride oxide" RELATED [IUPAC] synonym: "Sulfur oxychloride" RELATED [ChemIDplus] synonym: "sulfurous dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfurous oxychloride" RELATED [ChemIDplus] synonym: "thionyl dichloride" RELATED [IUPAC] xref: Beilstein:1209273 {source="Beilstein"} xref: CAS:7719-09-7 {source="NIST Chemistry WebBook"} xref: CAS:7719-09-7 {source="ChemIDplus"} xref: PMID:18052293 {source="Europe PMC"} xref: PMID:26388384 {source="Europe PMC"} xref: Wikipedia:Thionyl_chloride is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:50096 ! sulfinyl halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl2OS/c1-4(2)3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYSNRJHAOHDILO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.97080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.90469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClS(Cl)=O" xsd:string [Term] id: CHEBI:29308 name: oxalonitrile namespace: chebi_ontology def: "A dinitrile that is ethane substituted by two cyano groups." [] subset: 3_STAR synonym: "(CN)2" RELATED [ChEBI] synonym: "bis(nitridocarbon)(C--C)" EXACT IUPAC_NAME [IUPAC] synonym: "C2N2" RELATED [IUPAC] synonym: "carbon nitride" RELATED [ChemIDplus] synonym: "cyanogen" RELATED [NIST_Chemistry_WebBook] synonym: "dicyan" RELATED [NIST_Chemistry_WebBook] synonym: "dicyanogen" RELATED [NIST_Chemistry_WebBook] synonym: "ethanedinitrile" EXACT IUPAC_NAME [IUPAC] synonym: "glycolonitrile" RELATED [ChEBI] synonym: "NCCN" RELATED [IUPAC] synonym: "oxalic nitrile" RELATED [NIST_Chemistry_WebBook] synonym: "oxalonitrile" EXACT [IUPAC] xref: Beilstein:1732464 {source="Beilstein"} xref: CAS:460-19-5 {source="ChemIDplus"} xref: CAS:460-19-5 {source="NIST Chemistry WebBook"} xref: Gmelin:1090 {source="Gmelin"} xref: PMID:24632070 {source="Europe PMC"} xref: Reaxys:1732464 {source="Reaxys"} xref: Wikipedia:Oxalonitrile is_a: CHEBI:36867 ! pseudohalogen is_a: CHEBI:51308 ! dinitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2N2/c3-1-2-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JMANVNJQNLATNU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "52.03488" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "52.00615" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#CC#N" xsd:string [Term] id: CHEBI:29317 name: selanide namespace: chebi_ontology subset: 3_STAR synonym: "HSe(-)" RELATED [IUPAC] synonym: "hydrogen(selenide)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenselenide" RELATED [UniProt] synonym: "selanide" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:773467 {source="Gmelin"} is_a: CHEBI:36903 ! selenium hydride relationship: is_conjugate_base_of CHEBI:16503 ! selane property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HSe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2Se/h1H2/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPVXKVOXSXTJOY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.96794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.92490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se-][H]" xsd:string [Term] id: CHEBI:29321 name: sodium nitroprusside namespace: chebi_ontology def: "An organic sodium salt that is the disodium salt of nitroprusside." [] subset: 3_STAR synonym: "disodium pentacyanidonitrosylferrate" RELATED [IUPAC] synonym: "Na2[Fe(CN)5(NO)]" RELATED [IUPAC] synonym: "Sodium nitroprusside anhydrous" RELATED [ChemIDplus] synonym: "sodium pentacyanidonitrosylferrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium pentacyanidonitrosylferrate(III)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14402-89-2 {source="ChemIDplus"} xref: PMID:25425768 {source="Europe PMC"} is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:7596 ! nitroprusside relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:50566 ! nitric oxide donor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5FeN6Na2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q;;;;;2*-1;2*+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPWUWQVZUNFZQM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.91788" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.92783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" xsd:string [Term] id: CHEBI:29337 name: azanide namespace: chebi_ontology subset: 3_STAR synonym: "amide" EXACT IUPAC_NAME [IUPAC] synonym: "azanide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydridonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "NH2(-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29340 ! hydridonitrate(2-) relationship: is_conjugate_base_of CHEBI:16134 ! ammonia property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N/h1H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYGWNUKOUCZBND-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.02262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01927" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N-][H]" xsd:string [Term] id: CHEBI:29340 name: hydridonitrate(2-) namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of two protons from ammonia." [] subset: 3_STAR synonym: "azanediide" EXACT IUPAC_NAME [IUPAC] synonym: "hydridonitrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "imide" RELATED [IUPAC] synonym: "NH(2-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29337 ! azanide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN/h1H/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DZQYTNGKSBCIOE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.01468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N--][H]" xsd:string [Term] id: CHEBI:29347 name: monocarboxylic acid amide namespace: chebi_ontology alt_id: CHEBI:13211 alt_id: CHEBI:22207 alt_id: CHEBI:25383 alt_id: CHEBI:6977 def: "A carboxamide derived from a monocarboxylic acid." [] subset: 3_STAR synonym: "monocarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:29348 name: fatty amide namespace: chebi_ontology alt_id: CHEBI:13247 alt_id: CHEBI:22310 alt_id: CHEBI:22330 alt_id: CHEBI:2572 alt_id: CHEBI:35749 alt_id: CHEBI:38838 def: "A monocarboxylic acid amide derived from a fatty acid." [] subset: 3_STAR synonym: "Aliphatic amide" RELATED [KEGG_COMPOUND] synonym: "fatty amide" EXACT [ChEBI] synonym: "fatty amides" RELATED [LIPID_MAPS] xref: KEGG:C02244 xref: LIPID_MAPS_class:LMFA08 {source="LIPID MAPS"} is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:61697 ! fatty acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNOR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string [Term] id: CHEBI:29360 name: methanediide namespace: chebi_ontology subset: 3_STAR synonym: "[CH2](2-)" RELATED [ChEBI] synonym: "CH2(2-)" RELATED [IUPAC] synonym: "dihydridocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "methanediide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5915711 {source="Beilstein"} xref: Gmelin:322698 {source="Gmelin"} is_a: CHEBI:38222 ! hydrocarbyl anion relationship: is_conjugate_base_of CHEBI:29438 ! methanide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2/h1H2/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PZPOWPOFQLSNJO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.02658" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.01675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C--][H]" xsd:string [Term] id: CHEBI:29365 name: phosgene namespace: chebi_ontology def: "An acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine." [] subset: 3_STAR synonym: "Carbon dichloride oxide" RELATED [ChemIDplus] synonym: "Carbon dichloride oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Carbon oxychloride" RELATED [ChemIDplus] synonym: "Carbone (oxychlorure de)" RELATED [ChemIDplus] synonym: "Carbonic acid dichloride" RELATED [ChemIDplus] synonym: "Carbonic chloride" RELATED [ChemIDplus] synonym: "Carbonic dichloride" RELATED [ChemIDplus] synonym: "Carbonyl chloride" RELATED [ChemIDplus] synonym: "Carbonyl dichloride" RELATED [ChemIDplus] synonym: "carbonyl dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "Carbonylchlorid" RELATED [ChemIDplus] synonym: "Chloroformyl chloride" RELATED [ChemIDplus] synonym: "COCl2" RELATED [IUPAC] synonym: "Dichloroformaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Fosgeen" RELATED [ChemIDplus] synonym: "Fosgen" RELATED [ChemIDplus] synonym: "Phosgen" RELATED [ChemIDplus] synonym: "phosgene" EXACT IUPAC_NAME [IUPAC] xref: CAS:75-44-5 {source="ChemIDplus"} xref: CAS:75-44-5 {source="NIST Chemistry WebBook"} xref: PMID:21031186 {source="Europe PMC"} xref: PMID:21222562 {source="Europe PMC"} xref: PMID:21293301 {source="Europe PMC"} xref: PMID:21309662 {source="Europe PMC"} xref: Reaxys:1098367 {source="Reaxys"} is_a: CHEBI:36687 ! acyl chloride relationship: has_functional_parent CHEBI:16842 ! formaldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl2O/c2-1(3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGYAWVDWMABLBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.91550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.93262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)=O" xsd:string [Term] id: CHEBI:29369 name: peroxy group namespace: chebi_ontology subset: 3_STAR synonym: "-OO-" RELATED [IUPAC] synonym: "peroxy" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.99880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(O*)*" xsd:string [Term] id: CHEBI:29377 name: sodium carbonate comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, anticaking agent, raising agent. xref: Codex:\:500(i) xref: Europe:\:500 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3247 is_a: CHEBI:38700 ! organic sodium salt is_a: CHEBI:46721 ! carbonate salt is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "sodium carbonate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:29389 name: silane namespace: chebi_ontology def: "The simplest silane, consisting of a single silicon atom carrying four hydrogens." [] subset: 3_STAR synonym: "[SiH4]" RELATED [MolBase] synonym: "monosilane" RELATED [NIST_Chemistry_WebBook] synonym: "SiH4" RELATED [IUPAC] synonym: "silane" EXACT IUPAC_NAME [IUPAC] synonym: "Silicane" RELATED [ChemIDplus] synonym: "Silicon hydride" RELATED [NIST_Chemistry_WebBook] synonym: "silicon tetrahydride" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydridosilicon" EXACT IUPAC_NAME [IUPAC] xref: CAS:7803-62-5 {source="ChemIDplus"} xref: CAS:7803-62-5 {source="NIST Chemistry WebBook"} xref: Gmelin:273 {source="Gmelin"} xref: MolBase:1651 xref: PMID:21405634 {source="Europe PMC"} xref: Reaxys:4173736 {source="Reaxys"} xref: Wikipedia:Silane is_a: CHEBI:37172 ! silanes is_a: CHEBI:37176 ! mononuclear parent hydride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4Si/h1H4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BLRPTPMANUNPDV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.11726" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.00823" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Si]([H])([H])[H]" xsd:string [Term] id: CHEBI:29390 name: silicon carbide namespace: chebi_ontology subset: 3_STAR synonym: "[SiC]" RELATED [IUPAC] synonym: "carbidosilicon" EXACT IUPAC_NAME [IUPAC] synonym: "carborundum" RELATED [NIST_Chemistry_WebBook] synonym: "SiC" RELATED [IUPAC] synonym: "Siliciumcarbid" RELATED [ChEBI] synonym: "silicon carbide" EXACT [IUPAC] synonym: "silicon monocarbide" RELATED [NIST_Chemistry_WebBook] synonym: "silicon(IV) carbide" RELATED [NIST_Chemistry_WebBook] synonym: "Siliziumkarbid" RELATED [ChEBI] xref: CAS:409-21-2 {source="ChemIDplus"} xref: CAS:409-21-2 {source="NIST Chemistry WebBook"} xref: Gmelin:13642 {source="Gmelin"} is_a: CHEBI:25713 ! organosilicon compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CSi" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CSi/c1-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HBMJWWWQQXIZIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.09620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.97693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C-]#[Si+]" xsd:string [Term] id: CHEBI:29412 name: oxonium namespace: chebi_ontology subset: 3_STAR synonym: "[OH3](+)" RELATED [MolBase] synonym: "aquahydrogen(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "H3O(+)" RELATED [IUPAC] synonym: "Hydronium cation" RELATED [NIST_Chemistry_WebBook] synonym: "Hydronium ion" RELATED [ChemIDplus] synonym: "oxidanium" EXACT IUPAC_NAME [IUPAC] synonym: "oxonium" EXACT IUPAC_NAME [IUPAC] synonym: "trihydridooxygen(1+)" EXACT IUPAC_NAME [IUPAC] xref: CAS:13968-08-6 "NIST Chemistry WebBook" xref: CAS:13968-08-6 {source="ChemIDplus"} xref: CAS:13968-08-6 {source="NIST Chemistry WebBook"} xref: Gmelin:141 "Gmelin" xref: Gmelin:141 {source="Gmelin"} xref: MolBase:1646 is_a: CHEBI:33693 ! oxygen hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:15377 ! water property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "19.02322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "19.01784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][O+]([H])[H]" xsd:string [Term] id: CHEBI:29415 name: dioxidochlorine(.) namespace: chebi_ontology subset: 3_STAR synonym: "(OClO)(.)" RELATED [ChEBI] synonym: "[ClO2](.)" RELATED [ChEBI] synonym: "chlorine dioxide" RELATED [NIST_Chemistry_WebBook] synonym: "Chlorine peroxide" RELATED [KEGG_COMPOUND] synonym: "dioxido-lambda(5)-chloranyl" EXACT IUPAC_NAME [IUPAC] synonym: "dioxidochlorine(.)" EXACT IUPAC_NAME [IUPAC] synonym: "O2Cl(.)" RELATED [ChEBI] xref: CAS:10049-04-4 {source="NIST Chemistry WebBook"} xref: CAS:10049-04-4 {source="KEGG COMPOUND"} xref: Gmelin:1265 {source="Gmelin"} xref: KEGG:C18368 is_a: CHEBI:52357 ! chlorine dioxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClO2/c2-1-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSVXSBDYLRYLIG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.45200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "66.95868" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Cl]=O" xsd:string [Term] id: CHEBI:29438 name: methanide namespace: chebi_ontology subset: 3_STAR synonym: "[CH3](-)" RELATED [ChEBI] synonym: "CH3(-)" RELATED [IUPAC] synonym: "lambda(2)-methanuide" RELATED [IUPAC] synonym: "methanide" EXACT IUPAC_NAME [IUPAC] synonym: "methyl anion" RELATED [IUPAC] synonym: "trihydridocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1813938 {source="Beilstein"} xref: CAS:15194-58-8 {source="NIST Chemistry WebBook"} xref: Gmelin:259263 {source="Gmelin"} is_a: CHEBI:38222 ! hydrocarbyl anion relationship: is_conjugate_acid_of CHEBI:29360 ! methanediide relationship: is_conjugate_base_of CHEBI:16183 ! methane property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3/h1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGRLWUINFJPLSH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.03452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.02402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C-]([H])[H]" xsd:string [Term] id: CHEBI:29449 name: hydrogen azide namespace: chebi_ontology subset: 3_STAR synonym: "[NNNH]" RELATED [IUPAC] synonym: "hydrazoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "hydrido-1kappaH-trinitrogen(2N--N)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen azide" EXACT [IUPAC] synonym: "hydrogen trinitride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "N3H" RELATED [IUPAC] synonym: "triazoic acid" RELATED [NIST_Chemistry_WebBook] xref: CAS:7782-79-8 {source="NIST Chemistry WebBook"} xref: CAS:7782-79-8 {source="ChemIDplus"} xref: Gmelin:773 {source="Gmelin"} is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:40910 ! azide anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HN3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN3/c1-3-2/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUINSXZKUKVTMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.02816" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.01705" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=[N+]=[N-]" xsd:string [Term] id: CHEBI:2953 name: azinphos-methyl namespace: chebi_ontology def: "A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3." [] subset: 3_STAR synonym: "3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate" RELATED [ChemIDplus] synonym: "Azinphos methyl" RELATED [KEGG_COMPOUND] synonym: "Azinphosmethyl" RELATED [ChemIDplus] synonym: "Guthion" RELATED [ChemIDplus] synonym: "O,O-Dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate" RELATED [ChemIDplus] synonym: "O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate" RELATED [IUPAC] synonym: "O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorodithioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester" RELATED [ChemIDplus] xref: Beilstein:280476 {source="Beilstein"} xref: CAS:86-50-0 {source="NIST Chemistry WebBook"} xref: CAS:86-50-0 {source="ChemIDplus"} xref: CAS:86-50-0 {source="KEGG COMPOUND"} xref: KEGG:C11018 xref: LINCS:LSM-20980 xref: PMID:17097717 {source="Europe PMC"} xref: PMID:24177216 {source="Europe PMC"} xref: PPDB:51 xref: Reaxys:280476 {source="Reaxys"} xref: Wikipedia:Azinphos-methyl is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:51361 ! benzotriazines relationship: has_parent_hydride CHEBI:38586 ! 1,2,3-benzotriazine relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N3O3PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CJJOSEISRRTUQB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "317.32646" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "317.00577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)SCn1nnc2ccccc2c1=O" xsd:string [Term] id: CHEBI:29534 name: avermectin B1a namespace: chebi_ontology subset: 3_STAR synonym: "(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "abamectin component B1a" RELATED [ChemIDplus] synonym: "Avermectin B1a" EXACT [KEGG_COMPOUND] xref: Beilstein:3645625 {source="Beilstein"} xref: BPDB:8 xref: CAS:65195-55-3 {source="KEGG COMPOUND"} xref: CAS:65195-55-3 {source="ChemIDplus"} xref: KEGG:C11983 xref: LIPID_MAPS_instance:LMPK04000024 {source="LIPID MAPS"} xref: MetaCyc:CPD-12963 xref: VSDB:8 is_a: CHEBI:50344 ! avermectin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C48H72O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRZXIRBKKLTSOM-XPNPUAGNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "873.07690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "872.49221" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\\C=C(C)\\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\\C=C\\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C" xsd:string [Term] id: CHEBI:29537 name: avermectin B1b namespace: chebi_ontology subset: 3_STAR synonym: "(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside" RELATED [IUPAC] synonym: "abamectin component B1b" RELATED [ChemIDplus] synonym: "Avermectin B1b" EXACT [KEGG_COMPOUND] xref: Beilstein:8399072 {source="Beilstein"} xref: CAS:65195-56-4 {source="KEGG COMPOUND"} xref: CAS:65195-56-4 {source="ChemIDplus"} xref: KEGG:C11967 xref: LIPID_MAPS_instance:LMPK04000020 {source="LIPID MAPS"} xref: MetaCyc:CPD-12964 is_a: CHEBI:50344 ! avermectin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C47H70O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFUKERYTFURFGA-PVVXTEPVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "859.05030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "858.47656" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C\\C=C(C)\\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\\C=C\\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O" xsd:string [Term] id: CHEBI:2955 name: azithromycin namespace: chebi_ontology alt_id: CHEBI:46596 def: "A macrolide antibiotic useful for the treatment of bacterial infections." [] subset: 3_STAR synonym: "(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one" RELATED [ChemIDplus] synonym: "Azenil" RELATED BRAND_NAME [DrugBank] synonym: "Azifast" RELATED BRAND_NAME [ChEBI] synonym: "Azigram" RELATED BRAND_NAME [ChEBI] synonym: "Azimakrol" RELATED BRAND_NAME [ChEBI] synonym: "azithromycine" RELATED INN [ChemIDplus] synonym: "azithromycinum" RELATED INN [ChemIDplus] synonym: "azitromicina" RELATED INN [WHO_MedNet] synonym: "Azitromin" RELATED BRAND_NAME [ChEBI] synonym: "Hemomycin" RELATED BRAND_NAME [DrugBank] synonym: "Zithromax" RELATED BRAND_NAME [DrugBank] synonym: "Zmax" RELATED BRAND_NAME [DrugBank] xref: Beilstein:5387583 {source="Beilstein"} xref: CAS:83905-01-5 {source="ChemIDplus"} xref: Drug_Central:276 {source="DrugCentral"} xref: DrugBank:DB00207 xref: HMDB:HMDB0014352 xref: KEGG:C06838 xref: KEGG:D07486 xref: LINCS:LSM-5821 xref: Patent:BE892357 xref: Patent:US4517359 xref: PDBeChem:ZIT xref: PMID:15143799 {source="Europe PMC"} xref: PMID:18253999 {source="Europe PMC"} xref: Reaxys:5387583 {source="Reaxys"} xref: Reaxys:8820027 {source="Reaxys"} xref: Wikipedia:Azithromycin is_a: CHEBI:25105 ! macrolide antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H72N2O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MQTOSJVFKKJCRP-BICOPXKESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "748.98450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "748.50853" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:2962 name: kresoxim-methyl namespace: chebi_ontology def: "A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops." [] subset: 3_STAR synonym: "BAS 490 F" RELATED [KEGG_COMPOUND] synonym: "methyl (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl (E)-alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)benzeneacetate" RELATED [ChemIDplus] synonym: "methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate" RELATED [Alan_Wood's_Pesticides] xref: CAS:143390-89-0 {source="KEGG COMPOUND"} xref: CAS:143390-89-0 {source="ChemIDplus"} xref: CAS:143390-89-0 {source="NIST Chemistry WebBook"} xref: KEGG:C11017 xref: Pesticides:kresoxim-methyl {source="Alan Wood's Pesticides"} xref: PMID:23197469 {source="Europe PMC"} xref: PMID:23277369 {source="Europe PMC"} xref: PMID:23452212 {source="Europe PMC"} xref: PMID:24061350 {source="Europe PMC"} xref: PMID:24210350 {source="Europe PMC"} xref: PMID:24611510 {source="Europe PMC"} xref: PMID:24936710 {source="Europe PMC"} xref: PMID:24997920 {source="Europe PMC"} xref: PPDB:414 xref: Reaxys:8330581 {source="Reaxys"} is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36816 ! oxime O-ether is_a: CHEBI:86488 ! methoxyiminoacetate strobilurin antifungal agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38499 ! mitochondrial cytochrome-bc1 complex inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H19NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOTBXTZVPHCKPN-HTXNQAPBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "313.34780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "313.13141" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CO\\N=C(\\C(=O)OC)c1ccccc1COc1ccccc1C" xsd:string [Term] id: CHEBI:29678 name: sodium arsenite namespace: chebi_ontology def: "An inoganic sodium salt with formula with formula NaAsO2." [] subset: 3_STAR synonym: "(NaAsO2)n" RELATED [ChEBI] synonym: "catena-poly[(oxidoarsenate-mu-oxido)]sodium" EXACT IUPAC_NAME [IUPAC] synonym: "Na(+)n-(-As(O(-))O-)-n" RELATED [ChEBI] synonym: "NaAsO2" RELATED [ChEBI] synonym: "Sodium arsenite" EXACT [KEGG_COMPOUND] synonym: "Sodium dioxoarsenate" RELATED [KEGG_COMPOUND] synonym: "sodium meta-arsenite" RELATED [ChEBI] synonym: "sodium metaarsenite" RELATED [ChemIDplus] xref: CAS:7784-46-5 {source="KEGG COMPOUND"} xref: CAS:7784-46-5 {source="ChemIDplus"} xref: KEGG:C11906 xref: MetaCyc:CPD0-1496 xref: PMID:17070520 {source="Europe PMC"} xref: PMID:19131511 {source="Europe PMC"} xref: PMID:20423156 {source="Europe PMC"} xref: PMID:20598115 {source="Europe PMC"} xref: PMID:23194016 {source="Europe PMC"} xref: PMID:23694735 {source="Europe PMC"} xref: PMID:24004876 {source="Europe PMC"} xref: PMID:24100277 {source="Europe PMC"} xref: PMID:24519527 {source="Europe PMC"} xref: PMID:9580875 {source="Europe PMC"} xref: PMID:9649501 {source="Europe PMC"} xref: PPDB:2877 xref: Reaxys:14201303 {source="Reaxys"} xref: Reaxys:16472677 {source="Reaxys"} xref: Wikipedia:Sodium_arsenite is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33288 ! rodenticide relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsNaO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PTLRDCMBXHILCL-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.91020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.90119" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-][As]=O" xsd:string [Term] id: CHEBI:29699 name: tunicamycin namespace: chebi_ontology def: "A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety." [] subset: 3_STAR synonym: "Tunicamycin" EXACT [KEGG_COMPOUND] xref: CAS:11089-65-9 {source="ChemIDplus"} xref: CAS:11089-65-9 {source="KEGG COMPOUND"} xref: KEGG:C12063 xref: PMID:11478581 {source="Europe PMC"} xref: PMID:11514096 {source="Europe PMC"} xref: PMID:11732194 {source="Europe PMC"} xref: PMID:11798249 {source="Europe PMC"} xref: PMID:12093793 {source="Europe PMC"} xref: PMID:12106388 {source="Europe PMC"} xref: PMID:12136966 {source="Europe PMC"} xref: PMID:12232600 {source="Europe PMC"} xref: PMID:12232799 {source="Europe PMC"} xref: PMID:12515321 {source="Europe PMC"} xref: PMID:160437 {source="Europe PMC"} xref: PMID:1624425 {source="Europe PMC"} xref: PMID:3018444 {source="Europe PMC"} xref: PMID:315774 {source="Europe PMC"} xref: PMID:34700340 {source="Europe PMC"} xref: PMID:34979291 {source="Europe PMC"} xref: PMID:35233582 {source="Europe PMC"} xref: PMID:35370192 {source="Europe PMC"} xref: PMID:4624615 {source="Europe PMC"} xref: PMID:4630978 {source="Europe PMC"} xref: PMID:5103138 {source="Europe PMC"} xref: PMID:5103535 {source="Europe PMC"} xref: PMID:5168706 {source="Europe PMC"} xref: PMID:6153524 {source="Europe PMC"} xref: PMID:6813319 {source="Europe PMC"} xref: PMID:6975776 {source="Europe PMC"} xref: PMID:6992777 {source="Europe PMC"} xref: PMID:701277 {source="Europe PMC"} xref: PMID:7142115 {source="Europe PMC"} xref: PMID:7144800 {source="Europe PMC"} xref: PMID:7766032 {source="Europe PMC"} xref: Wikipedia:Tunicamycin is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:64228 ! tunicamycin A0 relationship: has_part CHEBI:64245 ! tunicamycin A1 relationship: has_part CHEBI:64246 ! tunicamycin A2 relationship: has_part CHEBI:64248 ! tunicamycin B1 relationship: has_part CHEBI:64250 ! tunicamycin B2 relationship: has_part CHEBI:64255 ! tunicamycin B3 relationship: has_part CHEBI:64256 ! tunicamycin C1 relationship: has_part CHEBI:64257 ! tunicamycin C2 relationship: has_part CHEBI:64271 ! tunicamycin D1 relationship: has_part CHEBI:64272 ! tunicamycin D2 relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:64237 ! EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H38N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "650.587" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "650.22828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](OC2O[C@H]([*]O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC([*])=O)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:29700 name: tylactone namespace: chebi_ontology alt_id: CHEBI:76805 def: "A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone." [] subset: 3_STAR synonym: "(4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide" RELATED [ChemIDplus] synonym: "20-deoxo-23-deoxytylonolide" RELATED [ChemIDplus] synonym: "20-Dsdr" RELATED [ChemIDplus] synonym: "Protylonolide" RELATED [KEGG_COMPOUND] synonym: "Tylactone" EXACT [KEGG_COMPOUND] synonym: "tylactone" EXACT [UniProt] xref: CAS:74758-60-4 {source="ChemIDplus"} xref: CAS:74758-60-4 {source="KEGG COMPOUND"} xref: KEGG:C12000 xref: MetaCyc:CPD-15948 {source="SUBMITTER"} xref: PMID:3733529 {source="Europe PMC"} xref: PMID:6511663 {source="Europe PMC"} xref: PMID:6735923 {source="Europe PMC"} xref: PMID:6833128 {source="Europe PMC"} xref: PMID:7118724 {source="Europe PMC"} xref: Reaxys:5765520 {source="Reaxys"} is_a: CHEBI:23824 ! diol is_a: CHEBI:25106 ! macrolide is_a: CHEBI:51689 ! enone relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H38O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YJSXTLYNFBFHAT-HJOMEYPASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "394.54480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "394.27192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1C[C@@H](C)C(=O)\\C=C\\C(\\C)=C\\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O" xsd:string [Term] id: CHEBI:29749 name: ferulate namespace: chebi_ontology alt_id: CHEBI:11848 alt_id: CHEBI:14259 alt_id: CHEBI:24029 def: "A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid." [] subset: 3_STAR synonym: "(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-ferulate" RELATED [UniProt] synonym: "3-methoxy-4-hydroxy-trans-cinnamate" RELATED [ChEBI] xref: MetaCyc:FERULIC-ACID is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:17620 ! ferulic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KSEBMYQBYZTDHS-HWKANZROSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "193.17606" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.05063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(\\C=C\\C([O-])=O)ccc1O" xsd:string [Term] id: CHEBI:29754 name: arsonate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "[AsHO3](2-)" RELATED [IUPAC] synonym: "arsonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydridotrioxidoarsenate(2-)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35776 ! arsenic oxoanion relationship: is_conjugate_base_of CHEBI:64448 ! arsonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HAsO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUSBFZWLPXDYIC-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.92774" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.91526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As]([O-])([O-])=O" xsd:string [Term] id: CHEBI:29755 name: arsanide namespace: chebi_ontology subset: 3_STAR synonym: "[AsH2](-)" RELATED [IUPAC] synonym: "arsanide" EXACT IUPAC_NAME [IUPAC] synonym: "dihydridoarsenate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:217243 {source="Gmelin"} is_a: CHEBI:35822 ! arsenic hydride relationship: is_conjugate_base_of CHEBI:47217 ! arsane property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH2/h1H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRQOYSLXOZXEBV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.93748" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.93779" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As-][H]" xsd:string [Term] id: CHEBI:29785 name: nitro group namespace: chebi_ontology subset: 3_STAR synonym: "-NO2" RELATED [IUPAC] synonym: "nitro" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.00550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.99290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[N+](=O)[O-]" xsd:string [Term] id: CHEBI:29792 name: hydroperoxy group namespace: chebi_ontology subset: 3_STAR synonym: "-OOH" RELATED [IUPAC] synonym: "dioxidanyl" EXACT IUPAC_NAME [IUPAC] synonym: "hydroperoxy" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.00674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(O[H])*" xsd:string [Term] id: CHEBI:29793 name: hydridodioxygen(1+) namespace: chebi_ontology subset: 3_STAR synonym: "[HO2](+)" RELATED [ChEBI] synonym: "dioxidenium" EXACT IUPAC_NAME [IUPAC] synonym: "HO2(+)" RELATED [IUPAC] synonym: "HOO(+)" RELATED [ChEBI] synonym: "hydridodioxygen(1+)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:508 {source="Gmelin"} is_a: CHEBI:33693 ! oxygen hydride relationship: is_conjugate_acid_of CHEBI:15379 ! dioxygen property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2/c1-2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYMOFIZGZYHOMD-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.00674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.99711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][O+]=O" xsd:string [Term] id: CHEBI:29805 name: glycolate namespace: chebi_ontology alt_id: CHEBI:14348 alt_id: CHEBI:24388 def: "A hydroxy monocarboxylic acid anion that is acetate where the methyl group has been hydroxylated." [] subset: 3_STAR synonym: "glycolate" EXACT [UniProt] synonym: "hydroxyacetate" EXACT IUPAC_NAME [IUPAC] xref: CAS:666-14-8 {source="Reaxys"} xref: DrugBank:DB03085 xref: KEGG:C00160 xref: MetaCyc:GLYCOLLATE xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22093610 {source="Europe PMC"} xref: PMID:22207577 {source="Europe PMC"} xref: PMID:22268146 {source="Europe PMC"} xref: PMID:22327578 {source="Europe PMC"} xref: PMID:22394389 {source="Europe PMC"} xref: PMID:22446032 {source="Europe PMC"} xref: Reaxys:3903689 {source="Reaxys"} xref: UM-BBD_compID:c0008 {source="UM-BBD"} is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_base_of CHEBI:17497 ! glycolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AEMRFAOFKBGASW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.04342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.00877" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC([O-])=O" xsd:string [Term] id: CHEBI:29822 name: sulfinyl group namespace: chebi_ontology subset: 3_STAR synonym: ">SO" RELATED [IUPAC] synonym: "oxo-lambda(4)-sulfanediyl" EXACT IUPAC_NAME [IUPAC] synonym: "sulfinyl" EXACT IUPAC_NAME [IUPAC] synonym: "thionyl" RELATED [IUPAC] is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "48.06540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.96699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=S(*)*" xsd:string [Term] id: CHEBI:29840 name: arsinic acid namespace: chebi_ontology subset: 3_STAR synonym: "[AsH2O(OH)]" RELATED [IUPAC] synonym: "arsinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "dihydridohydroxidooxidoarsenic" EXACT IUPAC_NAME [IUPAC] synonym: "HAsH2O2" RELATED [IUPAC] is_a: CHEBI:33407 ! arsenic oxoacid relationship: is_conjugate_acid_of CHEBI:29846 ! arsinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3AsO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O2/c2-1-3/h1H2,(H,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VJWWIRSVNSXUAC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "109.94422" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.93490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[As]([H])([H])=O" xsd:string [Term] id: CHEBI:29846 name: arsinate namespace: chebi_ontology subset: 3_STAR synonym: "[AsH2(O)2](-)" RELATED [ChEBI] synonym: "arsinate" EXACT [IUPAC] synonym: "AsH2O2(-)" RELATED [IUPAC] synonym: "dihydridodioxidoarsenate(1-)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35776 ! arsenic oxoanion relationship: is_conjugate_base_of CHEBI:29840 ! arsinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O2/c2-1-3/h1H2,(H,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VJWWIRSVNSXUAC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.93628" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.92762" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As]([H])([O-])=O" xsd:string [Term] id: CHEBI:29850 name: arsonic acid namespace: chebi_ontology subset: 3_STAR synonym: "[AsHO(OH)2]" RELATED [IUPAC] synonym: "arsonic acid" EXACT [IUPAC] synonym: "H2AsHO3" RELATED [IUPAC] synonym: "hydridodihydroxidooxidoarsenic" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:2037439 {source="Gmelin"} is_a: CHEBI:50955 ! arsonic acids relationship: is_conjugate_acid_of CHEBI:64448 ! arsonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUSBFZWLPXDYIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "125.94362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.92981" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As](O)(O)=O" xsd:string [Term] id: CHEBI:29852 name: methylarsonic acid namespace: chebi_ontology alt_id: CHEBI:25221 alt_id: CHEBI:6865 subset: 3_STAR synonym: "MAA" RELATED [KEGG_COMPOUND] synonym: "MeAsO(OH)2" RELATED [IUPAC] synonym: "methanearsonic acid" RELATED [ChemIDplus] synonym: "Methylarsonic acid" EXACT [KEGG_COMPOUND] synonym: "methylarsonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "monomethylarsonic acid" RELATED [ChemIDplus] xref: Beilstein:1739373 {source="ChemIDplus"} xref: CAS:124-58-3 {source="KEGG COMPOUND"} xref: CAS:124-58-3 {source="ChemIDplus"} xref: Gmelin:1316748 {source="Gmelin"} xref: KEGG:C07294 xref: PPDB:1575 is_a: CHEBI:22638 ! organoarsonic acid is_a: CHEBI:50955 ! arsonic acids is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:33409 ! methylarsonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5AsO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYPPRTNMGCREIM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "139.97020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "139.94546" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As](O)(O)=O" xsd:string [Term] id: CHEBI:29864 name: mannitol namespace: chebi_ontology alt_id: CHEBI:14574 alt_id: CHEBI:25163 def: "A hexitol produced by a variety of organisms including bacteria, fungi, lichens and plants." [] comment: LanguaL term definition: Food additive; technological purpose(s): anticaking agent, bulking agent, humectant, stabilizer, sweetener. subset: 3_STAR synonym: "mannitol" EXACT [] xref: Codex:\:421 xref: Europe:\:421 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3148 xref: PMID:24269997 xref: PMID:24323504 xref: PMID:24374122 xref: PMID:24861101 xref: Wikipedia:Mannitol is_a: CHEBI:24583 ! hexitol is_a: FOODON:03412972 ! food additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.07904" xsd:string property_value: IAO:0000118 "mannitol" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:29865 name: benzo[a]pyrene namespace: chebi_ontology alt_id: CHEBI:22716 alt_id: CHEBI:3045 def: "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings." [] subset: 3_STAR synonym: "(B(a)P)" RELATED [ChEBI] synonym: "3,4-Benzopyrene" RELATED [NIST_Chemistry_WebBook] synonym: "3,4-Benzpyrene" RELATED [NIST_Chemistry_WebBook] synonym: "3,4-BP" RELATED [NIST_Chemistry_WebBook] synonym: "Benzo(a)pyrene" RELATED [ChemIDplus] synonym: "Benzo[a]pyrene" EXACT [KEGG_COMPOUND] synonym: "benzo[def]chrysene" RELATED [ChEBI] synonym: "benzo[pqr]tetraphene" EXACT IUPAC_NAME [IUPAC] synonym: "Benzpyrene" RELATED [KEGG_COMPOUND] synonym: "BP" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1911333 {source="Beilstein"} xref: CAS:50-32-8 {source="ChemIDplus"} xref: CAS:50-32-8 {source="NIST Chemistry WebBook"} xref: CAS:50-32-8 {source="KEGG COMPOUND"} xref: Gmelin:262573 {source="Gmelin"} xref: KEGG:C07535 xref: LINCS:LSM-2198 xref: PMID:11932001 {source="Europe PMC"} xref: PMID:16256111 {source="Europe PMC"} xref: PMID:16381670 {source="Europe PMC"} xref: PMID:1844333 {source="Europe PMC"} xref: PMID:26530167 {source="Europe PMC"} xref: PMID:26703252 {source="Europe PMC"} xref: PMID:7561049 {source="Europe PMC"} xref: PMID:7721048 {source="Europe PMC"} xref: Reaxys:1911333 {source="Reaxys"} xref: Wikipedia:Benzo(a)pyrene is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FMMWHPNWAFZXNH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.30928" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34" xsd:string [Term] id: CHEBI:29866 name: arsenite(3-) namespace: chebi_ontology alt_id: CHEBI:13857 alt_id: CHEBI:2846 def: "An arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid." [] subset: 3_STAR synonym: "[AsO3](3-)" RELATED [IUPAC] synonym: "ARSENITE" RELATED [PDBeChem] synonym: "Arsenite" RELATED [KEGG_COMPOUND] synonym: "arsenite" EXACT IUPAC_NAME [IUPAC] synonym: "arsorite" EXACT IUPAC_NAME [IUPAC] synonym: "AsO3(3-)" RELATED [IUPAC] synonym: "trioxidoarsenate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoarsenate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoarsenate(III)" EXACT IUPAC_NAME [IUPAC] xref: CAS:15502-74-6 {source="ChemIDplus"} xref: CAS:15502-74-6 {source="KEGG COMPOUND"} xref: Gmelin:25868 {source="Gmelin"} xref: KEGG:C06697 xref: PDBeChem:AST is_a: CHEBI:22633 ! arsenite ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:29243 ! arsenite(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsO3/c2-1(3)4/q-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWTFKEBRIAXSMO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.91980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.90798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][As]([O-])[O-]" xsd:string [Term] id: CHEBI:29888 name: diphosphoric acid namespace: chebi_ontology alt_id: CHEBI:45067 alt_id: CHEBI:8683 def: "An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid." [] subset: 3_STAR synonym: "1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena" EXACT IUPAC_NAME [IUPAC] synonym: "[(HO)2P(O)OP(O)(OH)2]" RELATED [IUPAC] synonym: "acide diphosphorique" RELATED [ChEBI] synonym: "Diphosphoric acid" EXACT [KEGG_COMPOUND] synonym: "diphosphoric acid" EXACT IUPAC_NAME [IUPAC] synonym: "Diphosphorsaeure" RELATED [ChEBI] synonym: "H4P2O7" RELATED [IUPAC] synonym: "mu-oxido-bis(dihydroxidooxidophosphorus)" EXACT IUPAC_NAME [IUPAC] synonym: "PYROPHOSPHATE" RELATED [PDBeChem] synonym: "Pyrophosphate" RELATED [KEGG_COMPOUND] synonym: "Pyrophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "Pyrophosphorsaeure" RELATED [ChEBI] xref: CAS:2466-09-3 {source="KEGG COMPOUND"} xref: CAS:2466-09-3 {source="ChemIDplus"} xref: CAS:2466-09-3 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04160 xref: ECMDB:ECMDB04142 xref: Gmelin:82619 {source="Gmelin"} xref: KEGG:C00013 xref: KNApSAcK:C00019561 xref: PDBeChem:PPV xref: PMID:6291941 {source="Europe PMC"} xref: Reaxys:3942075 {source="Reaxys"} is_a: CHEBI:33457 ! phosphorus oxoacid is_a: CHEBI:37786 ! acyclic phosphorus acid anhydride relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:33017 ! diphosphate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPPKVPWEQAFLFU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.97508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.94323" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)OP(O)(O)=O" xsd:string [Term] id: CHEBI:29917 name: thiol group namespace: chebi_ontology alt_id: CHEBI:26821 alt_id: CHEBI:29916 subset: 3_STAR synonym: "-SH" RELATED [IUPAC] synonym: "HS-" RELATED [IUPAC] synonym: "mercapto group" RELATED [ChEBI] synonym: "Mercaptogruppe" RELATED [ChEBI] synonym: "Merkaptogruppe" RELATED [ChEBI] synonym: "sulfanyl" EXACT IUPAC_NAME [IUPAC] synonym: "sulfhydryl group" RELATED [ChEBI] synonym: "Sulfhydrylgruppe" RELATED [ChEBI] synonym: "sulphydryl group" RELATED [ChEBI] synonym: "thiol" EXACT IUPAC_NAME [IUPAC] synonym: "thiol group" EXACT [UniProt] synonym: "Thiolgruppe" RELATED [ChEBI] is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:16136 ! hydrogen sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*S[H]" xsd:string [Term] id: CHEBI:29919 name: hydrosulfide namespace: chebi_ontology subset: 3_STAR synonym: "HS anion" RELATED [NIST_Chemistry_WebBook] synonym: "HS(-)" RELATED [IUPAC] synonym: "hydrogen sulfide" RELATED [UniProt] synonym: "hydrogen(sulfide)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfide" EXACT [IUPAC] synonym: "sulfanide" EXACT IUPAC_NAME [IUPAC] xref: CAS:15035-72-0 {source="ChemIDplus"} xref: CAS:15035-72-0 {source="NIST Chemistry WebBook"} xref: Gmelin:24766 {source="Gmelin"} is_a: CHEBI:33535 ! sulfur hydride relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15138 ! sulfide(2-) relationship: is_conjugate_base_of CHEBI:16136 ! hydrogen sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2S/h1H2/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSOTUBLDIXVET-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.07394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.98044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S-][H]" xsd:string [Term] id: CHEBI:29922 name: sulfo group namespace: chebi_ontology subset: 3_STAR synonym: "-S(O)2(OH)" RELATED [IUPAC] synonym: "hydroxydioxo-lambda(6)-sulfanyl" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxysulfonyl" EXACT IUPAC_NAME [IUPAC] synonym: "sulfo" EXACT IUPAC_NAME [IUPAC] synonym: "SULFO GROUP" EXACT [PDBeChem] xref: PDBeChem:SFO is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:29214 ! sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96464" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(O)(*)=O" xsd:string [Term] id: CHEBI:29938 name: phosphanide namespace: chebi_ontology subset: 3_STAR synonym: "[PH2](-)" RELATED [ChEBI] synonym: "dihydridophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "PH2(-)" RELATED [IUPAC] synonym: "phosphanide" EXACT IUPAC_NAME [IUPAC] synonym: "phosphino anion" RELATED [NIST_Chemistry_WebBook] xref: Gmelin:284 {source="Gmelin"} is_a: CHEBI:35879 ! phosphorus hydride relationship: is_conjugate_base_of CHEBI:30278 ! phosphane property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2P/h1H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JZWFHNVJSWEXLH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.98964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.98996" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][P-][H]" xsd:string [Term] id: CHEBI:29985 name: L-glutamate(1-) namespace: chebi_ontology alt_id: CHEBI:13107 alt_id: CHEBI:21301 def: "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "(2S)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "hydrogen L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate" RELATED [ChEBI] synonym: "L-glutamate" RELATED [UniProt] synonym: "L-glutamate(1-)" EXACT [JCBN] synonym: "L-glutamic acid monoanion" RELATED [JCBN] synonym: "L-glutamic acid, ion(1-)" RELATED [ChemIDplus] xref: CAS:11070-68-1 {source="ChemIDplus"} xref: Gmelin:936654 {source="Gmelin"} xref: MetaCyc:GLT is_a: CHEBI:14321 ! glutamate(1-) is_a: CHEBI:62031 ! polar amino acid zwitterion relationship: has_role CHEBI:24319 ! EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:29988 ! L-glutamate(2-) relationship: is_conjugate_base_of CHEBI:16015 ! L-glutamic acid relationship: is_enantiomer_of CHEBI:29986 ! D-glutamate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29986 name: D-glutamate(1-) namespace: chebi_ontology alt_id: CHEBI:12979 alt_id: CHEBI:21022 def: "An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "(2R)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "D-glutamate" RELATED [UniProt] synonym: "D-glutamate(1-)" EXACT [JCBN] synonym: "D-glutamic acid monoanion" RELATED [JCBN] synonym: "hydrogen D-glutamate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8319427 {source="Beilstein"} xref: MetaCyc:D-GLT is_a: CHEBI:14321 ! glutamate(1-) relationship: is_conjugate_acid_of CHEBI:29989 ! D-glutamate(2-) relationship: is_conjugate_base_of CHEBI:15966 ! D-glutamic acid relationship: is_enantiomer_of CHEBI:29985 ! L-glutamate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29987 name: glutamate(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-)." [] subset: 3_STAR synonym: "2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamate(2-)" EXACT [JCBN] synonym: "glutamic acid dianion" RELATED [JCBN] xref: Beilstein:4134100 {source="Beilstein"} xref: Gmelin:327903 {source="Gmelin"} xref: Reaxys:4134100 {source="Reaxys"} is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:14321 ! glutamate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29988 name: L-glutamate(2-) namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid." [] subset: 3_STAR synonym: "(2S)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate(2-)" EXACT [JCBN] synonym: "L-glutamic acid dianion" RELATED [JCBN] xref: Gmelin:327905 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:29985 ! L-glutamate(1-) relationship: is_enantiomer_of CHEBI:29989 ! D-glutamate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29989 name: D-glutamate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamate(2-)" EXACT [JCBN] synonym: "D-glutamic acid dianion" RELATED [JCBN] xref: Beilstein:8143000 {source="Beilstein"} xref: Gmelin:327904 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:29988 ! L-glutamate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:30045 name: divanadium pentaoxide namespace: chebi_ontology subset: 3_STAR synonym: "divanadium pentaoxide" EXACT IUPAC_NAME [IUPAC] synonym: "V2O5" RELATED [IUPAC] synonym: "vanadium(V) oxide" RELATED [IUPAC] xref: CAS:1314-62-1 {source="KEGG COMPOUND"} xref: CAS:1314-62-1 {source="NIST Chemistry WebBook"} xref: Gmelin:82259 {source="Gmelin"} xref: KEGG:C19308 is_a: CHEBI:35174 ! vanadium oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O5V2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5O.2V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNTDGMZSJNCJKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.88000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.86249" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[V](=O)O[V](=O)=O" xsd:string [Term] id: CHEBI:30049 name: teichoic acid namespace: chebi_ontology alt_id: CHEBI:26866 alt_id: CHEBI:9431 def: "Bacterial polysaccharide derivatives of glycerol phosphate or ribitol phosphate linked via phosphodiester bonds, whose main function is to fortify the cell wall. In some parasites, they serve as a site of attachment to mucosal membranes." [] subset: 3_STAR synonym: "TAs" RELATED [ChEBI] synonym: "teichoic acids" RELATED [ChEBI] xref: KEGG:C06707 xref: PMID:18327271 {source="Europe PMC"} xref: PMID:19229300 {source="Europe PMC"} xref: PMID:19899094 {source="Europe PMC"} xref: Wikipedia:Teichoic_acid is_a: CHEBI:65212 ! polysaccharide derivative [Term] id: CHEBI:30065 name: thioglycolic acid namespace: chebi_ontology alt_id: CHEBI:26967 alt_id: CHEBI:9554 subset: 3_STAR synonym: "2-mercaptoacetic acid" RELATED [ChemIDplus] synonym: "2-thioglycolic acid" RELATED [ChemIDplus] synonym: "alpha-mercaptoacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Mercaptoacetic acid" RELATED [KEGG_COMPOUND] synonym: "Mercaptoessigsaeure" RELATED [ChEBI] synonym: "Mercaptoethanoic acid" RELATED [KEGG_COMPOUND] synonym: "Merkaptoessigsaeure" RELATED [ChEBI] synonym: "SULFANYLACETIC ACID" RELATED [PDBeChem] synonym: "sulfanylacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Thioglycolic acid" EXACT [KEGG_COMPOUND] synonym: "Thioglykolsaeure" RELATED [ChEBI] xref: Beilstein:506166 {source="Beilstein"} xref: CAS:68-11-1 {source="NIST Chemistry WebBook"} xref: CAS:68-11-1 {source="ChemIDplus"} xref: CAS:68-11-1 {source="KEGG COMPOUND"} xref: Gmelin:101048 {source="Gmelin"} xref: KEGG:C02086 xref: PDBeChem:MCR is_a: CHEBI:33576 ! sulfur-containing carboxylic acid relationship: is_conjugate_acid_of CHEBI:30066 ! thioglycolate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWERGRDVMFNCDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.11796" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.99320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CS" xsd:string [Term] id: CHEBI:30066 name: thioglycolate(1-) namespace: chebi_ontology alt_id: CHEBI:15236 alt_id: CHEBI:26966 subset: 3_STAR synonym: "mercaptoacetate" RELATED [ChEBI] synonym: "sulfanylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "thioglycolate" RELATED [UniProt] synonym: "thioglycollate" RELATED [ChEBI] xref: Beilstein:3903690 {source="Beilstein"} xref: Gmelin:324390 {source="Gmelin"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:29805 ! glycolate relationship: is_conjugate_acid_of CHEBI:47869 ! thioglycolate(2-) relationship: is_conjugate_base_of CHEBI:30065 ! thioglycolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWERGRDVMFNCDR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "91.11002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.98592" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CS" xsd:string [Term] id: CHEBI:30087 name: guanidinium namespace: chebi_ontology subset: 3_STAR synonym: "[C(NH2)3](+)" RELATED [ChEBI] synonym: "diaminomethaniminium" RELATED [IUPAC] synonym: "guanidine" RELATED [UniProt] synonym: "guanidinium" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1902006 {source="Beilstein"} xref: Gmelin:239627 {source="Gmelin"} is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:42820 ! guanidine relationship: is_conjugate_acid_of CHEBI:616459 ! carbamimidoylazanium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH6N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRALSGWEFCBTJO-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.07856" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.05562" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=[NH2+]" xsd:string [Term] id: CHEBI:30089 name: acetate namespace: chebi_ontology alt_id: CHEBI:13704 alt_id: CHEBI:22165 alt_id: CHEBI:40480 def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid." [] subset: 3_STAR synonym: "acetate" EXACT [UniProt] synonym: "acetate" EXACT IUPAC_NAME [IUPAC] synonym: "ACETATE ION" RELATED [PDBeChem] synonym: "acetic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Azetat" RELATED [ChEBI] synonym: "CH3-COO(-)" RELATED [IUPAC] synonym: "Ethanoat" RELATED [ChEBI] synonym: "ethanoate" RELATED [ChEBI] synonym: "MeCO2 anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1901470 {source="Beilstein"} xref: CAS:71-50-1 {source="ChemIDplus"} xref: CAS:71-50-1 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03166 xref: Gmelin:1379 {source="Gmelin"} xref: KEGG:C00033 xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22211106 {source="Europe PMC"} xref: PMID:22371380 {source="Europe PMC"} xref: Reaxys:1901470 {source="Reaxys"} xref: UM-BBD_compID:c0050 {source="UM-BBD"} xref: Wikipedia:Acetate is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15366 ! acetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.04402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01385" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([O-])=O" xsd:string [Term] id: CHEBI:30095 name: hydrazinide namespace: chebi_ontology subset: 3_STAR synonym: "diazanide" EXACT IUPAC_NAME [IUPAC] synonym: "H2NNH(-)" RELATED [IUPAC] synonym: "hydrazinide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:30100 ! hydrazine-1,2-diide relationship: is_conjugate_acid_of CHEBI:30101 ! hydrazine-1,1-diide relationship: is_conjugate_base_of CHEBI:15571 ! hydrazine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N2/c1-2/h1H,2H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPXMKIXDFWLRAA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.03730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.03017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[NH-]" xsd:string [Term] id: CHEBI:30096 name: diazene namespace: chebi_ontology subset: 3_STAR synonym: "diazene" EXACT IUPAC_NAME [IUPAC] synonym: "Diimide" RELATED [NIST_Chemistry_WebBook] synonym: "HN=NH" RELATED [IUPAC] xref: CAS:3618-05-1 {source="NIST Chemistry WebBook"} xref: CAS:3618-05-1 {source="ChemIDplus"} xref: KEGG:C05360 is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:30103 ! diazenide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N2/c1-2/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAABOESOVLLHRU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.02180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=N" xsd:string [Term] id: CHEBI:30100 name: hydrazine-1,2-diide namespace: chebi_ontology subset: 3_STAR synonym: "[HNNH](2-)" RELATED [ChEBI] synonym: "diazane-1,2-diide" EXACT IUPAC_NAME [IUPAC] synonym: "HNNH(2-)" RELATED [IUPAC] synonym: "hydrazine-1,2-diide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:30104 ! diazanetriide relationship: is_conjugate_base_of CHEBI:30095 ! hydrazinide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N2/c1-2/h1-2H/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHLWSQSGFMSSAR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.02290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH-][NH-]" xsd:string [Term] id: CHEBI:30101 name: hydrazine-1,1-diide namespace: chebi_ontology subset: 3_STAR synonym: "[NNH2](2-)" RELATED [ChEBI] synonym: "diazane-1,1-diide" EXACT IUPAC_NAME [IUPAC] synonym: "H2NN(2-)" RELATED [IUPAC] synonym: "hydrazine-1,1-diide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:30104 ! diazanetriide relationship: is_conjugate_base_of CHEBI:30095 ! hydrazinide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N2/c1-2/h1H2/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWVSCDAZIIBQAE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.02290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[N--]" xsd:string [Term] id: CHEBI:30103 name: diazenide namespace: chebi_ontology subset: 3_STAR synonym: "diazenide" EXACT IUPAC_NAME [IUPAC] synonym: "N=NH(-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:29277 ! dinitride(2-) relationship: is_conjugate_base_of CHEBI:30096 ! diazene property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN2/c1-2/h1H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSCXGOPPNHTWEF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.02142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.01452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=[N-]" xsd:string [Term] id: CHEBI:30104 name: diazanetriide namespace: chebi_ontology subset: 3_STAR synonym: "diazanetriide" EXACT IUPAC_NAME [IUPAC] synonym: "hydrazinetriide" EXACT IUPAC_NAME [IUPAC] synonym: "NNH(3-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:29278 ! dinitride(4-) relationship: is_conjugate_base_of CHEBI:30100 ! hydrazine-1,2-diide relationship: is_conjugate_base_of CHEBI:30101 ! hydrazine-1,1-diide property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN2/c1-2/h1H/q-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKUIGRIXKYUMMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.02142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.01562" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N-][N--]" xsd:string [Term] id: CHEBI:30105 name: diazo group namespace: chebi_ontology subset: 3_STAR synonym: "(azanidylidene)azaniumylidene" EXACT IUPAC_NAME [IUPAC] synonym: "=N(+)=N(-)" RELATED [IUPAC] synonym: "=N2" RELATED [IUPAC] synonym: "diazo" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:30096 ! diazene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00615" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N-]=[N+]=*" xsd:string [Term] id: CHEBI:30106 name: azo group namespace: chebi_ontology subset: 3_STAR synonym: "-N=N-" RELATED [IUPAC] synonym: "azo" RELATED [IUPAC] synonym: "diazene-1,2-diyl" RELATED [IUPAC] synonym: "diazenediyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:30096 ! diazene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00615" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(=N/*)\\*" xsd:string [Term] id: CHEBI:30123 name: trifluorochlorine namespace: chebi_ontology subset: 3_STAR synonym: "[ClF3]" RELATED [ChEBI] synonym: "chlorine trifluoride" EXACT IUPAC_NAME [IUPAC] synonym: "chlorotrifluoride" RELATED [NIST_Chemistry_WebBook] synonym: "ClF3" RELATED [ChEBI] synonym: "trifluoridochlorine" EXACT IUPAC_NAME [IUPAC] synonym: "trifluoro-lambda(3)-chlorane" EXACT IUPAC_NAME [IUPAC] synonym: "trifluorure de chlore" RELATED [ChemIDplus] xref: CAS:7790-91-2 {source="ChemIDplus"} xref: CAS:7790-91-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1439 {source="Gmelin"} is_a: CHEBI:37765 ! halohalide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClF3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClF3/c2-1(3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JOHWNGGYGAVMGU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.44791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.96406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FCl(F)F" xsd:string [Term] id: CHEBI:30145 name: lithium atom namespace: chebi_ontology subset: 3_STAR synonym: "3Li" RELATED [IUPAC] synonym: "Li" RELATED [IUPAC] synonym: "Lithium" RELATED [ChEBI] synonym: "lithium" EXACT IUPAC_NAME [IUPAC] synonym: "lithium" RELATED [ChEBI] synonym: "litio" RELATED [ChEBI] xref: CAS:7439-93-2 {source="NIST Chemistry WebBook"} xref: WebElements:Li is_a: CHEBI:22314 ! alkali metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Li" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHXSMMKQMYFTQS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "6.94100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "7.01600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li]" xsd:string [Term] id: CHEBI:3015 name: benomyl namespace: chebi_ontology def: "A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops." [] subset: 3_STAR synonym: "1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat" RELATED [ChemIDplus] synonym: "1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester" RELATED [ChemIDplus] synonym: "1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol" RELATED [ChemIDplus] synonym: "Benlate" RELATED [KEGG_COMPOUND] synonym: "Benomyl" EXACT [KEGG_COMPOUND] synonym: "Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate" RELATED [HMDB] synonym: "Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate" RELATED [HMDB] synonym: "methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate" RELATED [HMDB] xref: Beilstein:825455 {source="Beilstein"} xref: CAS:17804-35-2 {source="ChemIDplus"} xref: CAS:17804-35-2 {source="NIST Chemistry WebBook"} xref: CAS:17804-35-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031767 xref: KEGG:C10896 xref: Pesticides:benomyl {source="Alan Wood's Pesticides"} xref: PMID:15813220 {source="Europe PMC"} xref: PMID:16903866 {source="Europe PMC"} xref: PMID:19049291 {source="Europe PMC"} xref: PMID:24693254 {source="Europe PMC"} xref: PMID:24782104 {source="Europe PMC"} xref: PMID:25045800 {source="Europe PMC"} xref: PMID:25104429 {source="Europe PMC"} xref: PMID:25145128 {source="Europe PMC"} xref: PPDB:66 xref: Reaxys:825455 {source="Reaxys"} xref: Wikipedia:Benomyl is_a: CHEBI:62733 ! aromatic amide is_a: CHEBI:87036 ! benzimidazole fungicide is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:61951 ! microtubule-destabilising agent relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H18N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RIOXQFHNBCKOKP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.31770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.13789" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12" xsd:string [Term] id: CHEBI:30163 name: diboron trioxide namespace: chebi_ontology def: "A boron oxide with formula B2O3." [] subset: 3_STAR synonym: "B2O3" RELATED [ChEBI] synonym: "Boric anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "Boric oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Boron oxide" RELATED [ChemIDplus] synonym: "boron sesquioxide" RELATED [ChemIDplus] synonym: "boron trioxide" RELATED [ChemIDplus] synonym: "diboron trioxide" EXACT IUPAC_NAME [IUPAC] xref: CAS:1303-86-2 {source="ChemIDplus"} xref: CAS:1303-86-2 {source="NIST Chemistry WebBook"} xref: Gmelin:11108 {source="Gmelin"} xref: PMID:23882810 {source="Europe PMC"} xref: Reaxys:9549840 {source="Reaxys"} is_a: CHEBI:35777 ! boron oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "B2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/B2O3/c3-1-5-2-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JKWMSGQKBLHBQQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "70.00335" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "B(OB=O)=O" xsd:string [Term] id: CHEBI:3018 name: bentazone namespace: chebi_ontology def: "A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3." [] subset: 3_STAR synonym: "3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide" EXACT IUPAC_NAME [IUPAC] xref: CAS:25057-89-0 {source="KEGG COMPOUND"} xref: CAS:25057-89-0 {source="ChemIDplus"} xref: KEGG:C10965 xref: LINCS:LSM-20931 xref: Pesticides:bentazone {source="Alan Wood's Pesticides"} xref: PMID:24393062 {source="Europe PMC"} xref: PMID:24412734 {source="Europe PMC"} xref: PMID:25281094 {source="Europe PMC"} xref: PPDB:71 xref: Reaxys:530220 {source="Reaxys"} xref: Wikipedia:Bentazon is_a: CHEBI:50265 ! benzothiadiazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOMSMJKLGFBRBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.27900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.05686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N1C(=O)c2ccccc2NS1(=O)=O" xsd:string [Term] id: CHEBI:30181 name: plumbane namespace: chebi_ontology subset: 3_STAR synonym: "Bleiwasserstoff" RELATED [ChEBI] synonym: "lead tetrahydride" EXACT IUPAC_NAME [IUPAC] synonym: "PbH4" RELATED [IUPAC] synonym: "Plumban" RELATED [ChEBI] synonym: "plumbane" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydridolead" EXACT IUPAC_NAME [IUPAC] xref: CAS:15875-18-0 {source="NIST Chemistry WebBook"} xref: Gmelin:1078 {source="Gmelin"} is_a: CHEBI:37176 ! mononuclear parent hydride is_a: CHEBI:37184 ! lead hydride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pb.4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XRCKXJLUPOKIPF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.23176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.00795" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Pb]([H])([H])[H]" xsd:string [Term] id: CHEBI:30182 name: tetraethyllead namespace: chebi_ontology def: "An organolead compound consisting of four ethyl groups joined to a central lead atom." [] subset: 3_STAR synonym: "[PbEt4]" RELATED [MolBase] synonym: "Bleitetraethyl" RELATED [ChEBI] synonym: "PbEt4" RELATED [IUPAC] synonym: "TEL" RELATED [NIST_Chemistry_WebBook] synonym: "tetraethyl lead" RELATED [ChemIDplus] synonym: "tetraethyllead" EXACT IUPAC_NAME [IUPAC] synonym: "tetraethylplumbane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903146 {source="ChemIDplus"} xref: CAS:78-00-2 {source="NIST Chemistry WebBook"} xref: CAS:78-00-2 {source="ChemIDplus"} xref: Gmelin:68951 {source="Gmelin"} xref: MolBase:600 xref: Patent:US1907701 xref: PMID:114153 {source="Europe PMC"} xref: PMID:11496989 {source="Europe PMC"} xref: PMID:1237103 {source="Europe PMC"} xref: PMID:15327329 {source="Europe PMC"} xref: PMID:20877807 {source="Europe PMC"} xref: PMID:21619368 {source="Europe PMC"} xref: PMID:21650851 {source="Europe PMC"} xref: PMID:277123 {source="Europe PMC"} xref: PMID:3606972 {source="Europe PMC"} xref: PMID:3623324 {source="Europe PMC"} xref: PMID:4041386 {source="Europe PMC"} xref: PMID:4072246 {source="Europe PMC"} xref: PMID:7481745 {source="Europe PMC"} xref: Reaxys:3903146 {source="Reaxys"} xref: Wikipedia:Tetraethyllead is_a: CHEBI:33586 ! organolead compound relationship: has_parent_hydride CHEBI:30181 ! plumbane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H20Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MRMOZBOQVYRSEM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "323.44440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.13315" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[Pb](CC)(CC)CC" xsd:string [Term] id: CHEBI:30183 name: tetramethyllead namespace: chebi_ontology subset: 3_STAR synonym: "Bleitetramethyl" RELATED [ChEBI] synonym: "lead tetramethyl" RELATED [ChemIDplus] synonym: "PbMe4" RELATED [IUPAC] synonym: "tetramethyl lead" RELATED [ChemIDplus] synonym: "tetramethyllead" EXACT IUPAC_NAME [IUPAC] synonym: "tetramethylplumbane" EXACT IUPAC_NAME [IUPAC] synonym: "TML" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3902986 {source="ChemIDplus"} xref: CAS:75-74-1 {source="ChemIDplus"} xref: CAS:75-74-1 {source="NIST Chemistry WebBook"} xref: Gmelin:2491 {source="Gmelin"} is_a: CHEBI:33586 ! organolead compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CH3.Pb/h4*1H3;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOOGZRUBTYCLHG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "267.33808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.07055" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Pb](C)(C)C" xsd:string [Term] id: CHEBI:30187 name: aluminium oxide is_a: CHEBI:33623 ! aluminium oxides [Term] id: CHEBI:30212 name: photon namespace: chebi_ontology alt_id: CHEBI:10581 alt_id: CHEBI:14383 def: "Particle of zero charge, zero rest mass, spin quantum number 1, energy hnu and momentum hnu/c (h is the Planck constant, nu the frequency of radiation and c the speed of light), carrier of electromagnetic force." [] subset: 3_STAR synonym: "foton" RELATED [ChEBI] synonym: "gamma" RELATED [IUPAC] synonym: "hnu" RELATED [IUPAC] synonym: "hnu" RELATED [UniProt] synonym: "Lichtquant" RELATED [ChEBI] synonym: "Light" RELATED [KEGG_COMPOUND] synonym: "light quantum" RELATED [ChEBI] synonym: "photon" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00205 is_a: CHEBI:36341 ! boson property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*" xsd:string [Term] id: CHEBI:30231 name: nitrogen trifluoride namespace: chebi_ontology subset: 3_STAR synonym: "[NF3]" RELATED [IUPAC] synonym: "NF3" RELATED [IUPAC] synonym: "nitrogen fluoride" RELATED [NIST_Chemistry_WebBook] synonym: "nitrogen trifluoride" EXACT IUPAC_NAME [IUPAC] synonym: "trifluoridonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "trifluoroamine" RELATED [NIST_Chemistry_WebBook] synonym: "trifluoroammonia" RELATED [NIST_Chemistry_WebBook] synonym: "trifluoroazane" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-54-2 {source="ChemIDplus"} xref: CAS:7783-54-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1551 {source="Gmelin"} is_a: CHEBI:37381 ! nitrogen halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F3N/c1-4(2)3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GVGCUCJTUSOZKP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.00195" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "70.99828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FN(F)F" xsd:string [Term] id: CHEBI:30245 name: linoleate namespace: chebi_ontology alt_id: CHEBI:12272 alt_id: CHEBI:14515 alt_id: CHEBI:20826 def: "An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid." [] subset: 3_STAR synonym: "(9Z,12Z)-9,12-octadecadienoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "(9Z,12Z)-octadeca-9,12-dienoate" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z,12Z)-octadecadienoate" RELATED [UniProt] synonym: "(Z,Z)-9,12-octadecadienoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "cis,cis-9,12-octadecadienoate" RELATED [ChEBI] synonym: "cis,cis-linoleate" RELATED [ChEBI] synonym: "cis-Delta(9,12)-octadecadienoate" RELATED [ChEBI] synonym: "linoleic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:4139597 {source="Beilstein"} xref: CAS:1509-85-9 {source="ChemIDplus"} xref: Gmelin:667201 {source="Gmelin"} xref: KEGG:C01595 xref: MetaCyc:LINOLEIC_ACID xref: Reaxys:4139597 {source="Reaxys"} is_a: CHEBI:25626 ! octadecadienoate relationship: has_functional_parent CHEBI:146293 ! 9-HPODE(1-) relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:85234 ! human blood serum metabolite relationship: is_conjugate_base_of CHEBI:17351 ! linoleic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYHQOLUKZRVURQ-HZJYTTRNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.43754" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.23295" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/CCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:30251 name: pentacarbonyliron namespace: chebi_ontology subset: 3_STAR synonym: "[Fe(CO)5]" RELATED [IUPAC] synonym: "iron pentacarbonyl" RELATED [NIST_Chemistry_WebBook] synonym: "pentacarbonyliron" EXACT IUPAC_NAME [IUPAC] synonym: "pentacarbonyliron(0)" EXACT IUPAC_NAME [IUPAC] xref: CAS:13463-40-6 {source="ChemIDplus"} xref: CAS:13463-40-6 {source="NIST Chemistry WebBook"} xref: Gmelin:3567 {source="Gmelin"} xref: Gmelin:3568 {source="Gmelin"} xref: MolBase:49 is_a: CHEBI:33892 ! iron coordination entity is_a: CHEBI:36604 ! metal carbonyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5FeO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5CO.Fe/c5*1-2;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "195.89550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.90951" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]" xsd:string [Term] id: CHEBI:30256 name: thiocarbonyl group namespace: chebi_ontology subset: 3_STAR synonym: ">C=S" RELATED [IUPAC] synonym: "carbonothioyl" EXACT IUPAC_NAME [IUPAC] synonym: "thiocarbonyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51422 ! organodiyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.07670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.97207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S=C(*)*" xsd:string [Term] id: CHEBI:30259 name: 1,3,5-triazine namespace: chebi_ontology subset: 3_STAR synonym: "1,3,5-triazine" EXACT IUPAC_NAME [IUPAC] synonym: "s-triazine" RELATED [ChemIDplus] synonym: "sym-triazine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:104790 {source="Beilstein"} xref: CAS:290-87-9 {source="NIST Chemistry WebBook"} xref: CAS:290-87-9 {source="ChemIDplus"} xref: Gmelin:1813 {source="Gmelin"} is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:38056 ! triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JIHQDMXYYFUGFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ncncn1" xsd:string [Term] id: CHEBI:30263 name: terbutylazine namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N-tert-butyl-N'-methyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6." [] subset: 3_STAR synonym: "N-(tert-butyl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "Terbuthylazine" RELATED [NIST_Chemistry_WebBook] synonym: "Terbutylazine" EXACT [ChemIDplus] synonym: "Terbutylethylazine" RELATED [ChemIDplus] xref: Beilstein:3951137 {source="Beilstein"} xref: CAS:5915-41-3 {source="KEGG COMPOUND"} xref: CAS:5915-41-3 {source="NIST Chemistry WebBook"} xref: CAS:5915-41-3 {source="ChemIDplus"} xref: KEGG:C18810 xref: Pesticides:terbuthylazine {source="Alan Wood's Pesticides"} xref: PMID:16526725 {source="Europe PMC"} xref: PMID:23280488 {source="Europe PMC"} xref: PMID:23288680 {source="Europe PMC"} xref: PMID:24468338 {source="Europe PMC"} xref: PPDB:623 xref: Reaxys:3951137 {source="Reaxys"} xref: Wikipedia:Terbuthylazine is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine relationship: has_functional_parent CHEBI:27726 ! 6-chloro-1,3,5-triazine-2,4-diamine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZXISNSWEXTPMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.10942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(NC(C)(C)C)n1" xsd:string [Term] id: CHEBI:30264 name: simeton namespace: chebi_ontology def: "A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which one of the hydrogens of each amino group has been replaced by an ethyl group." [] subset: 3_STAR synonym: "2,4-bis(ethylamino)-6-methoxy-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "4,6-bis(ethylamino)-2-methoxy-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "methoxy simazine" RELATED [ChemIDplus] synonym: "N,N'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "simeton" EXACT [ChemIDplus] xref: Beilstein:11608 {source="Beilstein"} xref: CAS:673-04-1 {source="ChemIDplus"} xref: CAS:673-04-1 {source="NIST Chemistry WebBook"} xref: Gmelin:1127121 {source="Gmelin"} xref: Patent:WO2008062557 xref: Pesticides:simeton {source="Alan Wood's Pesticides"} xref: PMID:19888661 {source="Europe PMC"} xref: Reaxys:11608 {source="Reaxys"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38177 ! methoxy-1,3,5-triazine relationship: has_functional_parent CHEBI:38930 ! 6-methoxy-1,3,5-triazine-2,4-diamine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKAMKLBXTLTVCN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.23780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.12766" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NCC)nc(OC)n1" xsd:string [Term] id: CHEBI:30272 name: arsonium namespace: chebi_ontology subset: 3_STAR synonym: "[AsH4](+)" RELATED [ChEBI] synonym: "arsanium" EXACT IUPAC_NAME [IUPAC] synonym: "arsonium" EXACT IUPAC_NAME [IUPAC] synonym: "AsH4(+)" RELATED [IUPAC] xref: Gmelin:322800 {source="Gmelin"} is_a: CHEBI:35822 ! arsenic hydride is_a: CHEBI:50313 ! onium cation is_a: CHEBI:62607 ! arsonium ion relationship: is_conjugate_acid_of CHEBI:47217 ! arsane property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH4/h1H4/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUEDNLCYHKSELL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.95235" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As+]([H])([H])[H]" xsd:string [Term] id: CHEBI:30278 name: phosphane namespace: chebi_ontology def: "The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached." [] subset: 3_STAR synonym: "[PH3]" RELATED [IUPAC] synonym: "fosfano" RELATED [IUPAC] synonym: "fosfina" RELATED [IUPAC] synonym: "PH3" RELATED [IUPAC] synonym: "phosphane" EXACT IUPAC_NAME [IUPAC] synonym: "phosphine" RELATED [NIST_Chemistry_WebBook] synonym: "phosphorus trihydride" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "trihydridophosphorus" EXACT IUPAC_NAME [IUPAC] xref: CAS:7803-51-2 {source="NIST Chemistry WebBook"} xref: CAS:7803-51-2 {source="ChemIDplus"} xref: FooDB:FDB013348 xref: Gmelin:287 {source="Gmelin"} xref: HMDB:HMDB0034790 xref: MetaCyc:CPD-21528 xref: Pesticides:phosphine {source="Alan Wood's Pesticides"} xref: PMID:11841601 {source="Europe PMC"} xref: PMID:12694741 {source="Europe PMC"} xref: PMID:21894233 {source="Europe PMC"} xref: PPDB:1456 xref: Reaxys:3600171 {source="Reaxys"} xref: Wikipedia:Phosphane is_a: CHEBI:35878 ! phosphanes is_a: CHEBI:35883 ! phosphine is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:39277 ! fumigant insecticide relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: is_conjugate_acid_of CHEBI:29938 ! phosphanide relationship: is_conjugate_base_of CHEBI:30282 ! phosphonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3P/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XYFCBTPGUUZFHI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.99758" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "33.99724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]P([H])[H]" xsd:string [Term] id: CHEBI:30282 name: phosphonium namespace: chebi_ontology subset: 3_STAR synonym: "[PH4](+)" RELATED [ChEBI] synonym: "PH4(+)" RELATED [IUPAC] synonym: "phosphanium" EXACT IUPAC_NAME [IUPAC] synonym: "phosphonium" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydridophosphorus(1+)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:292 {source="Gmelin"} is_a: CHEBI:35879 ! phosphorus hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:30278 ! phosphane property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3P/h1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XYFCBTPGUUZFHI-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.00552" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "35.00451" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][P+]([H])([H])[H]" xsd:string [Term] id: CHEBI:30288 name: stibane namespace: chebi_ontology subset: 3_STAR synonym: "[SbH3]" RELATED [MolBase] synonym: "Antimonwasserstoff" RELATED [ChEBI] synonym: "antimony trihydride" EXACT IUPAC_NAME [IUPAC] synonym: "SbH3" RELATED [IUPAC] synonym: "stibane" EXACT IUPAC_NAME [IUPAC] synonym: "stibine" RELATED [NIST_Chemistry_WebBook] synonym: "trihydridoantimony" EXACT IUPAC_NAME [IUPAC] xref: CAS:7803-52-3 {source="NIST Chemistry WebBook"} xref: CAS:7803-52-3 {source="ChemIDplus"} xref: Gmelin:795 {source="Gmelin"} xref: MolBase:1658 is_a: CHEBI:36918 ! antimony hydride is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_base_of CHEBI:30292 ! stibonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb.3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUULRIDHGPHMNQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.78382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.92729" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Sb]([H])[H]" xsd:string [Term] id: CHEBI:30292 name: stibonium namespace: chebi_ontology subset: 3_STAR synonym: "[SbH4](+)" RELATED [ChEBI] synonym: "SbH4(+)" RELATED [IUPAC] synonym: "stibanium" EXACT IUPAC_NAME [IUPAC] synonym: "stibonium" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydridoantimony(1+)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36918 ! antimony hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:30288 ! stibane property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb.4H/q+1;;;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HISNRBVYBOVKMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "125.79176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.93456" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Sb+]([H])([H])[H]" xsd:string [Term] id: CHEBI:30304 name: antimony(0) namespace: chebi_ontology subset: 3_STAR synonym: "antimony" EXACT IUPAC_NAME [IUPAC] synonym: "antimony(0)" EXACT IUPAC_NAME [IUPAC] synonym: "Antimony, metallic" RELATED [ChemIDplus] synonym: "Sb(0)" RELATED [ChEBI] synonym: "Sbn" RELATED [IUPAC] synonym: "Stibium metallicum" RELATED [ChemIDplus] xref: CAS:7440-36-0 {source="ChemIDplus"} xref: Gmelin:16305 {source="Gmelin"} is_a: CHEBI:36922 ! elemental antimony property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.90382" xsd:string [Term] id: CHEBI:30313 name: lipoate namespace: chebi_ontology alt_id: CHEBI:14519 alt_id: CHEBI:25056 def: "A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "1,2-dithiolane-3-pentanoate" RELATED [ChEBI] synonym: "1,2-dithiolane-3-valerate" RELATED [ChEBI] synonym: "5-(1,2-dithiolan-3-yl)pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "5-(1,2-dithiolan-3-yl)pentanoate" RELATED [ChEBI] synonym: "5-(1,2-dithiolan-3-yl)valerate" RELATED [ChEBI] synonym: "5-(dithiolan-3-yl)valerate" RELATED [ChEBI] synonym: "5-[1,2]Dithiolan-3-yl-pentanoate" RELATED [ChEBI] synonym: "5-[3-(1,2-dithiolanyl)]pentanoate" RELATED [ChEBI] synonym: "6,8-thioctate" RELATED [ChEBI] synonym: "6,8-thiotate" RELATED [ChEBI] synonym: "6-thioctate" RELATED [ChEBI] synonym: "6-thiotate" RELATED [ChEBI] synonym: "liponate" RELATED [ChEBI] synonym: "thioctate" RELATED [ChEBI] xref: Gmelin:2110645 {source="Gmelin"} xref: Reaxys:4993294 {source="Reaxys"} is_a: CHEBI:59848 ! thia fatty acid anion relationship: has_functional_parent CHEBI:25646 ! octanoate relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16494 ! lipoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H13O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGBQKNBQESQNJD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "205.31962" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "205.03625" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CCCCC1CCSS1" xsd:string [Term] id: CHEBI:30320 name: thioacetate namespace: chebi_ontology alt_id: CHEBI:15233 alt_id: CHEBI:26951 subset: 3_STAR synonym: "ethanethioate" EXACT IUPAC_NAME [IUPAC] synonym: "Thioacetat" RELATED [ChEBI] synonym: "thioacetate" EXACT [UniProt] synonym: "thioacetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1848542 {source="Beilstein"} xref: Beilstein:3903387 {source="Beilstein"} xref: CAS:29632-72-2 {source="ChemIDplus"} xref: Gmelin:323277 {source="Gmelin"} is_a: CHEBI:35367 ! thiocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26952 ! thioacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUYAAUVXQSMXQP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.11062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.99101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([S-])=O" xsd:string [Term] id: CHEBI:30334 name: phosphorus trichloride namespace: chebi_ontology def: "A phosphorus halide with formula Cl3P." [] subset: 3_STAR synonym: "[PCl3]" RELATED [MolBase] synonym: "PCl3" RELATED [IUPAC] synonym: "phosphorous trichloride" RELATED [ChEBI] synonym: "phosphorus trichloride" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus(III) chloride" EXACT IUPAC_NAME [IUPAC] synonym: "trichloridophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "trichlorophosphane" EXACT IUPAC_NAME [IUPAC] xref: CAS:7719-12-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1869 {source="Gmelin"} xref: MolBase:358 xref: Reaxys:969177 {source="Reaxys"} is_a: CHEBI:37378 ! phosphorus halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl3P/c1-4(2)3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAIAAWCVCHQXDN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.33186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.88032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClP(Cl)Cl" xsd:string [Term] id: CHEBI:30335 name: phosphorus pentachloride namespace: chebi_ontology subset: 3_STAR synonym: "[PCl5]" RELATED [MolBase] synonym: "PCl5" RELATED [ChEBI] synonym: "pentachloridophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "pentachloro-lambda(5)-phosphane" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus pentachloride" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus(V) chloride" EXACT IUPAC_NAME [IUPAC] xref: CAS:10026-13-8 {source="NIST Chemistry WebBook"} xref: Gmelin:2622 {source="Gmelin"} xref: MolBase:469 is_a: CHEBI:37378 ! phosphorus halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl5P/c1-6(2,3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHZYTMXLRWXGPK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "208.23726" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "205.81803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClP(Cl)(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:30336 name: phosphoryl trichloride namespace: chebi_ontology subset: 3_STAR synonym: "[PCl3O]" RELATED [IUPAC] synonym: "phosphoric trichloride" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphoroxidchlorid" RELATED [ChEBI] synonym: "Phosphoroxychlorid" RELATED [ChEBI] synonym: "Phosphortrichloridoxid" RELATED [ChEBI] synonym: "phosphorus oxychloride" RELATED [NIST_Chemistry_WebBook] synonym: "phosphorus trichloride oxide" RELATED [IUPAC] synonym: "phosphorus(V) trichloride oxide" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoryl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoryl trichloride" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorylchlorid" RELATED [ChEBI] synonym: "POCl3" RELATED [NIST_Chemistry_WebBook] synonym: "trichloridooxidophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "trichlorure de phosphoryle" RELATED [ChEBI] xref: CAS:10025-87-3 {source="NIST Chemistry WebBook"} xref: Gmelin:2272 {source="Gmelin"} xref: MolBase:472 is_a: CHEBI:50536 ! phosphorus coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3OP" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl3OP/c1-5(2,3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XHXFXVLFKHQFAL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.33126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.87523" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClP(Cl)(Cl)=O" xsd:string [Term] id: CHEBI:30347 name: ethylenediamine namespace: chebi_ontology def: "An alkane-alpha,omega-diamine in which the alkane is ethane." [] subset: 3_STAR synonym: "1,2-ethanediamine" RELATED [IUPAC] synonym: "en" RELATED [IUPAC] synonym: "ethane-1,2-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "ethylenediamine" EXACT [IUPAC] xref: Beilstein:605263 {source="Beilstein"} xref: CAS:107-15-3 {source="NIST Chemistry WebBook"} xref: CAS:107-15-3 {source="ChemIDplus"} xref: Gmelin:1098 {source="Gmelin"} xref: HMDB:HMDB0031225 xref: KEGG:D01114 xref: MetaCyc:CPD-3682 xref: PDBeChem:EDN xref: PMID:21616561 {source="Europe PMC"} xref: PMID:3692019 {source="Europe PMC"} xref: PMID:7070713 {source="Europe PMC"} xref: Reaxys:605263 {source="Reaxys"} xref: Wikipedia:Ethylenediamine is_a: CHEBI:35411 ! alkane-alpha,omega-diamine relationship: has_parent_hydride CHEBI:42266 ! ethane relationship: has_role CHEBI:51373 ! GABA agonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PIICEJLVQHRZGT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCN" xsd:string [Term] id: CHEBI:30351 name: 2,2'-bipyridine namespace: chebi_ontology def: "A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'." [] subset: 3_STAR synonym: "2,2'-Bipyridin" RELATED [ChemIDplus] synonym: "2,2'-bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "2,2'-bipyridyl" RELATED [IUPAC] synonym: "2,2'-dipyridine" RELATED [ChemIDplus] synonym: "2,2'-dipyridyl" RELATED [ChemIDplus] synonym: "2-(2-pyridyl)pyridine" RELATED [ChemIDplus] synonym: "alpha,alpha'-bipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-bipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-dipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-dipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "bpy" RELATED [IUPAC] xref: Beilstein:113089 {source="Beilstein"} xref: CAS:366-18-7 {source="ChemIDplus"} xref: CAS:366-18-7 {source="NIST Chemistry WebBook"} xref: Chemspider:13867714 xref: Gmelin:3720 {source="Gmelin"} xref: Gmelin:936807 {source="Gmelin"} xref: MetaCyc:CPD-8819 xref: PDBeChem:0BP xref: PMID:11564534 {source="Europe PMC"} xref: PMID:11749322 {source="Europe PMC"} xref: PMID:15998024 {source="Europe PMC"} xref: PMID:17497019 {source="Europe PMC"} xref: PMID:17744054 {source="Europe PMC"} xref: PMID:20050605 {source="Europe PMC"} xref: PMID:24061243 {source="Europe PMC"} xref: PMID:24816007 {source="Europe PMC"} xref: PMID:24816017 {source="Europe PMC"} xref: PMID:28640600 {source="Europe PMC"} xref: PMID:31683694 {source="Europe PMC"} xref: PMID:32326057 {source="Europe PMC"} xref: PMID:32672448 {source="Europe PMC"} xref: PMID:32871080 {source="Europe PMC"} xref: PMID:33117818 {source="Europe PMC"} xref: PMID:33544614 {source="Europe PMC"} xref: Reaxys:113089 {source="Reaxys"} xref: Wikipedia:2\,2%27-Bipyridine is_a: CHEBI:35545 ! bipyridine relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:38161 ! chelator property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROFVEXUMMXZLPA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CN=C(C=C1)C1=CC=CC=N1" xsd:string [Term] id: CHEBI:30353 name: isopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)2CH-" RELATED [IUPAC] synonym: "-CH(CH3)2" RELATED [ChEBI] synonym: "1-methylethyl" RELATED [IUPAC] synonym: "iPr" RELATED [CBN] synonym: "isopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "propan-2-yl" EXACT IUPAC_NAME [IUPAC] synonym: "valine side-chain" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:32879 ! propane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.08768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.05478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(*)C" xsd:string [Term] id: CHEBI:30355 name: tert-butyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)3C-" RELATED [IUPAC] synonym: "-C(CH3)3" RELATED [ChEBI] synonym: "-CMe3" RELATED [ChEBI] synonym: "1,1-dimethylethyl" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropan-2-ido" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropan-2-yl" EXACT IUPAC_NAME [IUPAC] synonym: "t-butyl" RELATED [ChEBI] synonym: "tBu" RELATED [CBN] synonym: "tert-butyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22323 ! alkyl group relationship: is_substituent_group_from CHEBI:30363 ! isobutane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.11426" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.07043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)*" xsd:string [Term] id: CHEBI:30356 name: isobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3)2CH-CH2-" RELATED [IUPAC] synonym: "-CH2-CH(CH3)2" RELATED [ChEBI] synonym: "2-methylpropan-1-ido" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropyl" EXACT IUPAC_NAME [IUPAC] synonym: "iBu" RELATED [CBN] synonym: "isobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "leucine side-chain" RELATED [ChEBI] is_a: CHEBI:22323 ! alkyl group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:30363 ! isobutane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.11426" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.07043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C*" xsd:string [Term] id: CHEBI:30362 name: isopentane namespace: chebi_ontology def: "An alkane that is butane substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "(CH3)2CH-CH2-CH3" RELATED [IUPAC] synonym: "1,1,2-trimethylethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1-dimethylpropane" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylbutane" EXACT IUPAC_NAME [IUPAC] synonym: "dimethylethylmethane" RELATED [ChemIDplus] synonym: "iso-C5H12" RELATED [NIST_Chemistry_WebBook] synonym: "iso-pentane" RELATED [NIST_Chemistry_WebBook] synonym: "isoamylhydride" RELATED [ChemIDplus] synonym: "isopentane" EXACT IUPAC_NAME [IUPAC] synonym: "R-601a" RELATED [ChEBI] xref: Beilstein:1730723 {source="Beilstein"} xref: CAS:78-78-4 {source="ChemIDplus"} xref: CAS:78-78-4 {source="NIST Chemistry WebBook"} xref: Gmelin:49318 {source="Gmelin"} xref: PMID:21481069 {source="Europe PMC"} xref: PMID:23904008 {source="Europe PMC"} xref: PMID:24833189 {source="Europe PMC"} xref: PMID:24932627 {source="Europe PMC"} xref: Reaxys:1730723 {source="Reaxys"} xref: Wikipedia:Isopentane is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWTDNUCVQCZILF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.14878" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)C" xsd:string [Term] id: CHEBI:30363 name: isobutane namespace: chebi_ontology def: "An alkane that is propane substituted by a methyl group at position 2." [] comment: LanguaL term definition: Food additive; technological purpose(s): propellant. subset: 3_STAR synonym: "(CH3)2CH-CH3" RELATED [IUPAC] synonym: "2-methylpropane" EXACT IUPAC_NAME [IUPAC] synonym: "E943b" RELATED [ChEBI] synonym: "isobutane" EXACT IUPAC_NAME [IUPAC] synonym: "R-600a" RELATED [ChEBI] xref: Beilstein:1730720 {source="Beilstein"} xref: CAS:75-28-5 {source="NIST Chemistry WebBook"} xref: CAS:75-28-5 {source="ChemIDplus"} xref: Codex:\:943b xref: Europe:\:943b xref: Gmelin:1301 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B4399 xref: KEGG:D04623 xref: PMID:24179026 {source="Europe PMC"} xref: PMID:24464945 {source="Europe PMC"} xref: Reaxys:1730720 {source="Reaxys"} xref: Wikipedia:Isobutane is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNPPMTNAJDCUHE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.12220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C" xsd:string property_value: IAO:0000118 "isobutane" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30367 name: pyrazol-1-ide namespace: chebi_ontology subset: 3_STAR synonym: "pyrazol-1-ide" EXACT IUPAC_NAME [IUPAC] synonym: "pyrazolide anion" RELATED [NIST_Chemistry_WebBook] synonym: "pz" RELATED [IUPAC] xref: Gmelin:323123 {source="Gmelin"} is_a: CHEBI:38596 ! pyrazolide relationship: is_conjugate_base_of CHEBI:17241 ! 1H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LBLQPCAYBXWESC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.06940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "67.03017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1cn[n-]c1" xsd:string [Term] id: CHEBI:30372 name: tetracarbonylnickel namespace: chebi_ontology subset: 3_STAR synonym: "[Ni(CO)4]" RELATED [IUPAC] synonym: "Nickel carbonyl" RELATED [ChemIDplus] synonym: "Nickel tetracarbonyl" RELATED [NIST_Chemistry_WebBook] synonym: "tetracarbonylnickel" EXACT IUPAC_NAME [IUPAC] synonym: "tetracarbonylnickel(0)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6122797 {source="Beilstein"} xref: Beilstein:6711606 {source="Beilstein"} xref: CAS:13463-39-3 {source="NIST Chemistry WebBook"} xref: CAS:13463-39-3 {source="ChemIDplus"} xref: Gmelin:101586 {source="Gmelin"} xref: Gmelin:3135 {source="Gmelin"} xref: MolBase:138 is_a: CHEBI:35438 ! nickel coordination entity is_a: CHEBI:36604 ! metal carbonyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4NiO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CO.Ni/c4*1-2;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWDHUGLHGCVIEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.73380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.91500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Ni](C#[O])(C#[O])C#[O]" xsd:string [Term] id: CHEBI:30411 name: cobalamin namespace: chebi_ontology def: "A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified." [] subset: 3_STAR synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide" EXACT IUPAC_NAME [IUPAC] synonym: "COBALAMIN" EXACT [PDBeChem] synonym: "cobalamin" EXACT IUPAC_NAME [IUPAC] xref: COMe:MOL000036 xref: PDBeChem:B12 xref: PMID:11371572 {source="Europe PMC"} xref: PMID:15181872 {source="Europe PMC"} is_a: CHEBI:23334 ! cobalamins relationship: has_role CHEBI:26348 ! prosthetic group [Term] id: CHEBI:30412 name: monoatomic dication namespace: chebi_ontology alt_id: CHEBI:23856 alt_id: CHEBI:4665 subset: 3_STAR synonym: "Divalent cation" RELATED [KEGG_COMPOUND] synonym: "divalent inorganic cations" RELATED [ChEBI] synonym: "monoatomic dications" RELATED [ChEBI] xref: KEGG:C00572 is_a: CHEBI:23906 ! monoatomic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*++]" xsd:string [Term] id: CHEBI:30430 name: indium atom namespace: chebi_ontology def: "A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum." [] subset: 3_STAR synonym: "49In" RELATED [IUPAC] synonym: "In" RELATED [IUPAC] synonym: "indio" RELATED [ChEBI] synonym: "Indium" RELATED [ChEBI] synonym: "indium" EXACT IUPAC_NAME [IUPAC] synonym: "indium" RELATED [ChEBI] xref: CAS:7440-74-6 {source="ChemIDplus"} xref: CAS:7440-74-6 {source="NIST Chemistry WebBook"} xref: Gmelin:16297 {source="Gmelin"} xref: WebElements:In is_a: CHEBI:33317 ! boron group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "In" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/In" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "APFVFJFRJDLVQX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.81800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.90388" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[In]" xsd:string [Term] id: CHEBI:30434 name: selenium hexafluoride namespace: chebi_ontology subset: 3_STAR synonym: "[SeF6]" RELATED [MolBase] synonym: "hexafluoridoselenium" EXACT IUPAC_NAME [IUPAC] synonym: "SeF6" RELATED [IUPAC] synonym: "selenium hexafluoride" EXACT IUPAC_NAME [IUPAC] synonym: "selenium(6+) fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "selenium(VI) fluoride" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-79-1 {source="NIST Chemistry WebBook"} xref: CAS:7783-79-1 {source="ChemIDplus"} xref: Gmelin:68800 {source="Gmelin"} xref: Gmelin:936140 {source="Gmelin"} xref: MolBase:879 is_a: CHEBI:50093 ! selenium coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F6Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F6Se/c1-7(2,3,4,5)6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LMDVZDMBPZVAIV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "192.95042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.90694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[Se](F)(F)(F)(F)F" xsd:string [Term] id: CHEBI:30440 name: thallium namespace: chebi_ontology def: "A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot)." [] subset: 3_STAR synonym: "81Tl" RELATED [IUPAC] synonym: "talio" RELATED [ChEBI] synonym: "thallium" EXACT IUPAC_NAME [IUPAC] synonym: "Tl" RELATED [IUPAC] xref: CAS:7440-28-0 {source="NIST Chemistry WebBook"} xref: CAS:7440-28-0 {source="ChemIDplus"} xref: Gmelin:16308 {source="Gmelin"} xref: WebElements:Tl is_a: CHEBI:33317 ! boron group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Tl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Tl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKVIYDNLLOSFOA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.38330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.97443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tl]" xsd:string [Term] id: CHEBI:30441 name: germanium atom namespace: chebi_ontology subset: 3_STAR synonym: "32Ge" RELATED [IUPAC] synonym: "Ge" RELATED [IUPAC] synonym: "germanio" RELATED [ChEBI] synonym: "germanium" EXACT IUPAC_NAME [IUPAC] synonym: "germanium" RELATED [ChEBI] xref: CAS:7440-56-4 {source="NIST Chemistry WebBook"} xref: CAS:7440-56-4 {source="ChemIDplus"} xref: WebElements:Ge is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ge" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ge" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNPVGFCGXDBREM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.61000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.92118" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ge]" xsd:string [Term] id: CHEBI:30443 name: germane namespace: chebi_ontology subset: 3_STAR synonym: "GeH4" RELATED [IUPAC] synonym: "germane" EXACT IUPAC_NAME [IUPAC] synonym: "germanium tetrahydride" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydridogermanium" EXACT IUPAC_NAME [IUPAC] xref: CAS:7440-56-4 {source="KEGG COMPOUND"} xref: CAS:7782-65-2 {source="NIST Chemistry WebBook"} xref: CAS:7782-65-2 {source="ChemIDplus"} xref: Gmelin:587 {source="Gmelin"} xref: Gmelin:845011 {source="Gmelin"} xref: Gmelin:845012 {source="Gmelin"} xref: Gmelin:845013 {source="Gmelin"} xref: Gmelin:910814 {source="Gmelin"} xref: KEGG:C15472 is_a: CHEBI:33587 ! germanium hydride is_a: CHEBI:37176 ! mononuclear parent hydride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "GeH4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/GeH4/h1H4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUZPNFFHZPRKJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.64176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.95248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Ge]([H])([H])[H]" xsd:string [Term] id: CHEBI:30452 name: tellurium atom namespace: chebi_ontology subset: 3_STAR synonym: "52Te" RELATED [IUPAC] synonym: "Te" RELATED [IUPAC] synonym: "Tellur" RELATED [ChEBI] synonym: "tellure" RELATED [ChEBI] synonym: "tellurium" EXACT IUPAC_NAME [IUPAC] synonym: "tellurium" RELATED [ChEBI] synonym: "teluro" RELATED [ChEBI] xref: CAS:13494-80-9 {source="ChemIDplus"} xref: CAS:13494-80-9 {source="NIST Chemistry WebBook"} xref: Gmelin:16309 {source="Gmelin"} xref: WebElements:Te is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33303 ! chalcogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Te" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Te" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PORWMNRCUJJQNO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "127.60000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.90622" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Te]" xsd:string [Term] id: CHEBI:30469 name: tellurium hexafluoride namespace: chebi_ontology subset: 3_STAR synonym: "[TeF6]" RELATED [MolBase] synonym: "hexafluoridotellurium" EXACT IUPAC_NAME [IUPAC] synonym: "TeF6" RELATED [IUPAC] synonym: "tellurium hexafluoride" EXACT IUPAC_NAME [IUPAC] synonym: "tellurium(6+) fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "tellurium(VI) fluoride" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-80-4 {source="ChemIDplus"} xref: CAS:7783-80-4 {source="NIST Chemistry WebBook"} xref: Gmelin:2601 {source="Gmelin"} xref: MolBase:975 is_a: CHEBI:36651 ! tellurium coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F6Te" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F6Te/c1-7(2,3,4,5)6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNCGPRGCYAWTAF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.59042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.89664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[Te](F)(F)(F)(F)F" xsd:string [Term] id: CHEBI:30473 name: fentin hydroxide namespace: chebi_ontology def: "An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots." [] subset: 3_STAR synonym: "[Sn(OH)Ph3]" RELATED [MolBase] synonym: "Fentin" RELATED [KEGG_COMPOUND] synonym: "hydroxytriphenylstannane" RELATED [NIST_Chemistry_WebBook] synonym: "hydroxytriphenyltin" RELATED [NIST_Chemistry_WebBook] synonym: "Sn(OH)Ph3" RELATED [IUPAC] synonym: "triphenylstannanol" EXACT IUPAC_NAME [IUPAC] synonym: "triphenylstannylium hydroxide" RELATED [Alan_Wood's_Pesticides] synonym: "triphenyltin hydroxide" RELATED [ChemIDplus] xref: AGR:IND20426744 {source="Europe PMC"} xref: AGR:IND79056532 {source="Europe PMC"} xref: Beilstein:4139186 {source="Beilstein"} xref: CAS:76-87-9 {source="KEGG COMPOUND"} xref: CAS:76-87-9 {source="ChemIDplus"} xref: CAS:76-87-9 {source="NIST Chemistry WebBook"} xref: Gmelin:7194 {source="Gmelin"} xref: KEGG:C18729 xref: MolBase:332 xref: PMID:16162336 {source="Europe PMC"} xref: PMID:16806747 {source="Europe PMC"} xref: PMID:20563930 {source="Europe PMC"} xref: PMID:3232835 {source="Europe PMC"} xref: PMID:5675476 {source="Europe PMC"} xref: PPDB:312 xref: Reaxys:3770576 {source="Reaxys"} is_a: CHEBI:24651 ! hydroxides is_a: CHEBI:25717 ! organotin compound relationship: has_functional_parent CHEBI:30537 ! triphenylstannane relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16OSn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFWMWWXRWVJXSE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "367.02904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.02232" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:30485 name: selenonium namespace: chebi_ontology subset: 3_STAR synonym: "[SeH3](+)" RELATED [ChEBI] synonym: "H3Se(+)" RELATED [IUPAC] synonym: "selanium" EXACT IUPAC_NAME [IUPAC] synonym: "selenonium" EXACT IUPAC_NAME [IUPAC] synonym: "trihydridoselenium(1+)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:557990 {source="Gmelin"} is_a: CHEBI:36903 ! selenium hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:16503 ! selane property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2Se/h1H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPVXKVOXSXTJOY-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.98382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "82.93945" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Se+]([H])[H]" xsd:string [Term] id: CHEBI:30488 name: sulfonium namespace: chebi_ontology subset: 3_STAR synonym: "[SH3](+)" RELATED [ChEBI] synonym: "H3S(+)" RELATED [IUPAC] synonym: "H3S+" RELATED [NIST_Chemistry_WebBook] synonym: "sulfanium" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonium" EXACT IUPAC_NAME [IUPAC] synonym: "sulphonium" RELATED [ChEBI] synonym: "trihydridosulfur(1+)" EXACT IUPAC_NAME [IUPAC] xref: CAS:18155-21-0 {source="NIST Chemistry WebBook"} xref: CAS:18155-21-0 {source="ChemIDplus"} xref: Gmelin:307 {source="Gmelin"} is_a: CHEBI:26830 ! sulfonium compound is_a: CHEBI:33535 ! sulfur hydride is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:16136 ! hydrogen sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2S/h1H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSOTUBLDIXVET-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.08982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.99500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][S+]([H])[H]" xsd:string [Term] id: CHEBI:30494 name: oxygen difluoride namespace: chebi_ontology subset: 3_STAR synonym: "[OF2]" RELATED [IUPAC] synonym: "difluoridooxygen" EXACT IUPAC_NAME [IUPAC] synonym: "Difluorine monoxide" RELATED [NIST_Chemistry_WebBook] synonym: "Fluorine monoxide" RELATED [ChemIDplus] synonym: "OF2" RELATED [IUPAC] synonym: "oxygen difluoride" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-41-7 {source="NIST Chemistry WebBook"} xref: CAS:7783-41-7 {source="ChemIDplus"} xref: Gmelin:1054 {source="Gmelin"} xref: MolBase:972 is_a: CHEBI:50081 ! oxygen halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F2O/c1-3-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UJMWVICAENGCRF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.99621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.99172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FOF" xsd:string [Term] id: CHEBI:30495 name: sulfur tetrafluoride namespace: chebi_ontology subset: 3_STAR synonym: "[SF4]" RELATED [MolBase] synonym: "SF4" RELATED [IUPAC] synonym: "sulfur tetrafluoride" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur(4+) fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur(IV) fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "tetrafluoridosulfur" EXACT IUPAC_NAME [IUPAC] xref: CAS:7783-60-0 {source="ChemIDplus"} xref: CAS:7783-60-0 {source="NIST Chemistry WebBook"} xref: Gmelin:2072 {source="Gmelin"} xref: MolBase:970 is_a: CHEBI:50094 ! sulfur coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F4S/c1-5(2,3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QHMQWEPBXSHHLH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.05961" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.96568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(F)F" xsd:string [Term] id: CHEBI:30496 name: sulfur hexafluoride is_a: CHEBI:50094 ! sulfur coordination entity [Term] id: CHEBI:30501 name: beryllium atom namespace: chebi_ontology def: "Alkaline earth metal atom with atomic number 4." [] subset: 3_STAR synonym: "4Be" RELATED [IUPAC] synonym: "Be" RELATED [IUPAC] synonym: "berilio" RELATED [ChEBI] synonym: "Beryllium" RELATED [ChEBI] synonym: "beryllium" EXACT IUPAC_NAME [IUPAC] synonym: "beryllium" RELATED [ChEBI] xref: CAS:7440-41-7 {source="NIST Chemistry WebBook"} xref: CAS:7440-41-7 {source="ChemIDplus"} xref: Gmelin:16265 {source="Gmelin"} xref: PMID:10858219 {source="Europe PMC"} xref: PMID:11897645 {source="Europe PMC"} xref: PMID:14643414 {source="Europe PMC"} xref: PMID:16951350 {source="Europe PMC"} xref: PMID:18250483 {source="Europe PMC"} xref: PMID:18768897 {source="Europe PMC"} xref: PMID:24912188 {source="Europe PMC"} xref: Reaxys:14617151 {source="Reaxys"} xref: WebElements:Be is_a: CHEBI:22313 ! alkaline earth metal atom is_a: CHEBI:88184 ! metal allergen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:53000 ! epitope relationship: has_role CHEBI:60809 ! adjuvant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Be" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Be" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATBAMAFKBVZNFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "9.01218" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "9.01218" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Be]" xsd:string [Term] id: CHEBI:30512 name: silver atom namespace: chebi_ontology subset: 3_STAR synonym: "47Ag" RELATED [IUPAC] synonym: "Ag" RELATED [IUPAC] synonym: "argent" RELATED [ChEBI] synonym: "argentum" RELATED [IUPAC] synonym: "plata" RELATED [ChEBI] synonym: "Silber" RELATED [ChemIDplus] synonym: "silver" EXACT IUPAC_NAME [IUPAC] synonym: "silver" RELATED [ChEBI] xref: CAS:7440-22-4 {source="ChemIDplus"} xref: WebElements:Ag is_a: CHEBI:33366 ! copper group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ag" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ag" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQCADISMDOOEFD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.86820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.90509" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ag]" xsd:string [Term] id: CHEBI:30513 name: antimony atom namespace: chebi_ontology subset: 3_STAR synonym: "51Sb" RELATED [IUPAC] synonym: "antimoine" RELATED [ChEBI] synonym: "Antimon" RELATED [ChEBI] synonym: "antimonio" RELATED [ChEBI] synonym: "antimony" EXACT IUPAC_NAME [IUPAC] synonym: "antimony" RELATED [ChEBI] synonym: "Sb" RELATED [IUPAC] synonym: "stibium" RELATED [IUPAC] xref: WebElements:Sb is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:33300 ! pnictogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WATWJIUSRGPENY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.76000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.90381" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb]" xsd:string [Term] id: CHEBI:30514 name: caesium atom namespace: chebi_ontology subset: 3_STAR synonym: "55Cs" RELATED [IUPAC] synonym: "Caesium" RELATED [ChEBI] synonym: "caesium" EXACT IUPAC_NAME [IUPAC] synonym: "caesium" RELATED [ChEBI] synonym: "cesio" RELATED [ChEBI] synonym: "cesium" RELATED [IUPAC] synonym: "cesium" RELATED [ChEBI] synonym: "Cs" RELATED [IUPAC] synonym: "Zaesium" RELATED [ChEBI] xref: WebElements:Cs is_a: CHEBI:22314 ! alkali metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cs" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cs" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVFDJXOCXUVLDH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.90545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.90545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cs]" xsd:string [Term] id: CHEBI:30526 name: 1-aminocyclopropanecarboxylate namespace: chebi_ontology alt_id: CHEBI:11251 alt_id: CHEBI:19026 def: "An alpha-amino-acid anion resulting from the deprotonation of the carboxy group of 1-aminocyclopropanecarboxylic acid." [] subset: 3_STAR synonym: "1-aminocyclopropane-1-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "1-aminocyclopropane-1-carboxylate" RELATED [ChEBI] synonym: "ACC" RELATED [ChEBI] xref: Beilstein:5501203 {source="Beilstein"} xref: KEGG:C01234 xref: UM-BBD_compID:c0352 {source="UM-BBD"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_functional_parent CHEBI:36128 ! cyclopropanecarboxylate relationship: is_conjugate_base_of CHEBI:18053 ! 1-aminocyclopropanecarboxylic acid relationship: is_conjugate_base_of CHEBI:58360 ! 1-aminocyclopropanecarboxylic acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAJPWUMXBYXFCZ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.09598" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC1(CC1)C([O-])=O" xsd:string [Term] id: CHEBI:30527 name: flavin namespace: chebi_ontology alt_id: CHEBI:24042 alt_id: CHEBI:5073 def: "A derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position." [] subset: 3_STAR synonym: "Flavin" EXACT [KEGG_COMPOUND] synonym: "flavins" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00176 is_a: CHEBI:38925 ! benzopteridine relationship: has_functional_parent CHEBI:37323 ! 7,8-dimethylisoalloxazine relationship: is_conjugate_acid_of CHEBI:60531 ! flavin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9N4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.22550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.07255" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[nH]c3=O)n([*])c2cc1C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30528 name: vanadium oxoanion namespace: chebi_ontology alt_id: CHEBI:27272 alt_id: CHEBI:35167 alt_id: CHEBI:9929 subset: 3_STAR synonym: "Vanadate" RELATED [KEGG_COMPOUND] synonym: "vanadium oxoanion" EXACT [ChEBI] synonym: "vanadium oxoanions" RELATED [ChEBI] xref: KEGG:C00754 is_a: CHEBI:35166 ! vanadium coordination entity is_a: CHEBI:35405 ! transition element oxoanion [Term] id: CHEBI:30537 name: triphenylstannane namespace: chebi_ontology subset: 3_STAR synonym: "[SnHPh3]" RELATED [ChEBI] synonym: "hydridotriphenyltin" EXACT IUPAC_NAME [IUPAC] synonym: "SnHPh3" RELATED [IUPAC] synonym: "triphenylstannane" EXACT IUPAC_NAME [IUPAC] synonym: "triphenyltin" RELATED [ChemIDplus] synonym: "triphenyltin hydride" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3544353 {source="Beilstein"} xref: CAS:892-20-6 {source="ChemIDplus"} xref: CAS:892-20-6 {source="NIST Chemistry WebBook"} xref: Gmelin:6741 {source="Gmelin"} is_a: CHEBI:25717 ! organotin compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NFHRNKANAAGQOH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "351.02964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "352.02740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Sn](c1ccccc1)(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:30563 name: silicon dioxide namespace: chebi_ontology def: "A silicon oxide made up of linear triatomic molecules in which a silicon atom is covalently bonded to two oxygens." [] comment: LanguaL term definition: Food additive; technological purpose(s): anticaking agent. subset: 3_STAR synonym: "(SiO2)n" RELATED [ChEBI] synonym: "[SiO2]" RELATED [MolBase] synonym: "Kieselsaeureanhydrid" RELATED [ChEBI] synonym: "silica" RELATED [ChEBI] synonym: "Silica, amorphous" RELATED [KEGG_COMPOUND] synonym: "silicic anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "silicon dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "silicon(IV) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "Siliziumdioxid" RELATED [ChEBI] synonym: "SiO2" RELATED [IUPAC] xref: BPDB:2487 xref: CAS:7631-86-9 {source="ChemIDplus"} xref: CAS:7631-86-9 {source="NIST Chemistry WebBook"} xref: CAS:7631-86-9 {source="KEGG COMPOUND"} xref: Codex:\:551 xref: Drug_Central:4284 {source="DrugCentral"} xref: Europe:\:551 xref: Gmelin:200274 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3237 xref: KEGG:C19572 xref: MolBase:887 xref: PMID:8991630 {source="Europe PMC"} xref: PPDB:282 xref: Reaxys:3902804 {source="Reaxys"} xref: VSDB:2487 is_a: CHEBI:33327 ! silicon oxide is_a: FOODON:03412972 ! food additive property_value: hasSynonym "silicon dioxide, amorphous" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2Si/c1-3-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYPSYNLAJGMNEJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.08430" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.96676" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Si]=O" xsd:string property_value: IAO:0000118 "silicon dioxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30566 name: gamma-aminobutyrate namespace: chebi_ontology alt_id: CHEBI:11961 alt_id: CHEBI:20317 def: "An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid." [] subset: 3_STAR synonym: "4-Amino-butyrat" RELATED [ChEBI] synonym: "4-aminobutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "4-aminobutanoic acid ion (1-)" RELATED [ChEBI] synonym: "4-Aminobutylate" RELATED [KEGG_COMPOUND] synonym: "4-aminobutyrate" RELATED [ChEBI] synonym: "gamma-aminobutanoate" RELATED [ChEBI] synonym: "gamma-aminobutyrate anion" RELATED [ChEBI] xref: Beilstein:3536873 {source="Beilstein"} xref: Gmelin:559138 {source="Gmelin"} xref: KEGG:C00334 xref: PMID:12509893 {source="Europe PMC"} xref: Reaxys:3536873 {source="Reaxys"} is_a: CHEBI:71666 ! gamma-amino acid anion relationship: has_functional_parent CHEBI:17968 ! butyrate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16865 ! gamma-aminobutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTCSSZJGUNDROE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.11186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.05605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC([O-])=O" xsd:string [Term] id: CHEBI:305790 name: thyroxine zwitterion namespace: chebi_ontology def: "The amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate" RELATED [ChEMBL] synonym: "thyroxine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:30660 ! thyroxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "776.87000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.68669" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O" xsd:string [Term] id: CHEBI:30616 name: ATP(4-) namespace: chebi_ontology def: "A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3." [] subset: 3_STAR synonym: "adenosine 5'-triphosphate(4-)" EXACT IUPAC_NAME [IUPAC] synonym: "ATP" RELATED [UniProt] synonym: "atp" RELATED [IUPAC] xref: Beilstein:3581767 {source="Beilstein"} xref: Gmelin:342798 {source="Gmelin"} is_a: CHEBI:61557 ! nucleoside 5'-triphoshate(4-) relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:57299 ! ATP(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N5O13P3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKHQWZAMYRWXGA-KQYNXXCUSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "503.14946" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "502.96664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:30623 name: oxalate(2-) namespace: chebi_ontology alt_id: CHEBI:14702 alt_id: CHEBI:25729 alt_id: CHEBI:44820 def: "A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid." [] subset: 3_STAR synonym: "ethanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "ethanedioic acid, ion(2-)" RELATED [ChemIDplus] synonym: "ox" RELATED [IUPAC] synonym: "oxalate" RELATED [UniProt] synonym: "OXALATE ION" RELATED [PDBeChem] xref: Beilstein:1905970 {source="Beilstein"} xref: CAS:338-70-5 {source="ChemIDplus"} xref: Gmelin:2207 {source="Gmelin"} xref: KEGG:C00209 xref: PDBeChem:OXL xref: Reaxys:1905970 {source="Reaxys"} xref: UM-BBD_compID:c0017 {source="UM-BBD"} is_a: CHEBI:132952 ! oxalate is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:46904 ! oxalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.01900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.98076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C([O-])=O" xsd:string [Term] id: CHEBI:30627 name: molybdenum trioxide namespace: chebi_ontology subset: 3_STAR synonym: "[MoO3]" RELATED [MolBase] synonym: "molybdenum trioxide" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum(6+) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum(VI) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "MoO3" RELATED [IUPAC] xref: CAS:1313-27-5 {source="NIST Chemistry WebBook"} xref: Gmelin:100822 {source="Gmelin"} xref: MolBase:526 is_a: CHEBI:37775 ! molybdenum oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "MoO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo.3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JKQOBWVOAYFWKG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.93820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.89015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Mo](=O)=O" xsd:string [Term] id: CHEBI:30629 name: diethylenetriamine namespace: chebi_ontology subset: 3_STAR synonym: "dien" RELATED [IUPAC] synonym: "diethylenetriamine" EXACT [IUPAC] synonym: "N-(2-aminoethyl)ethane-1,2-diamine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:605314 {source="Beilstein"} xref: CAS:111-40-0 {source="ChemIDplus"} xref: CAS:111-40-0 {source="NIST Chemistry WebBook"} xref: Gmelin:2392 {source="Gmelin"} is_a: CHEBI:38751 ! triamine is_a: CHEBI:39474 ! polyazaalkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H13N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPNUMPOLZDHAAY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.16624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.11095" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCNCCN" xsd:string [Term] id: CHEBI:30653 name: homoserine namespace: chebi_ontology def: "An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group." [] subset: 3_STAR synonym: "2-amino-4-hydroxybutanoic acid" RELATED [IUPAC] synonym: "DL-Homoserine" RELATED [ChemIDplus] synonym: "homoserine" EXACT IUPAC_NAME [IUPAC] synonym: "Hse" RELATED [IUPAC] xref: Beilstein:1721682 {source="Beilstein"} xref: CAS:1927-25-9 {source="ChemIDplus"} xref: CAS:498-19-1 {source="ChemIDplus"} xref: PMID:15753300 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:1721682 {source="Reaxys"} is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:62980 ! homoserinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCO)C(O)=O" xsd:string [Term] id: CHEBI:30654 name: D-homoserine namespace: chebi_ontology def: "The D-enantiomer of homoserine." [] subset: 3_STAR synonym: "(2R)-2-amino-4-hydroxybutanoic acid" RELATED [IUPAC] synonym: "D-homoserine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1721680 {source="Beilstein"} xref: CAS:6027-21-0 {source="ChemIDplus"} xref: MetaCyc:CPD-12255 xref: Patent:CN101333175 xref: Patent:JP2008022844 xref: PMID:20539880 {source="Europe PMC"} xref: PMID:21048866 {source="Europe PMC"} xref: PMID:3521530 {source="Europe PMC"} xref: PMID:7255357 {source="Europe PMC"} xref: Reaxys:1721680 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:30653 ! homoserine relationship: is_enantiomer_of CHEBI:15699 ! L-homoserine relationship: is_tautomer_of CHEBI:143081 ! D-homoserine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCO)C(O)=O" xsd:string [Term] id: CHEBI:30659 name: D-thyroxine namespace: chebi_ontology def: "The D-enantiomer of thyroxine." [] subset: 3_STAR synonym: "D-T4" RELATED [ChEBI] synonym: "D-thyroxine" EXACT IUPAC_NAME [IUPAC] synonym: "dextrothyroxine" RELATED [ChemIDplus] synonym: "DT4" RELATED [ChEBI] synonym: "O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine" RELATED [ChemIDplus] xref: Beilstein:2954910 {source="Beilstein"} xref: CAS:51-49-0 {source="ChemIDplus"} xref: Drug_Central:846 {source="DrugCentral"} xref: DrugBank:DB00509 xref: PMID:15206581 {source="Europe PMC"} xref: PMID:20020587 {source="Europe PMC"} xref: PMID:20483419 {source="Europe PMC"} xref: PMID:2062236 {source="Europe PMC"} xref: PMID:21035598 {source="Europe PMC"} xref: Wikipedia:Dextrothyroxine is_a: CHEBI:30660 ! thyroxine is_a: CHEBI:84124 ! D-tyrosine derivative relationship: is_enantiomer_of CHEBI:18332 ! L-thyroxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "776.87006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.68669" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O" xsd:string [Term] id: CHEBI:30660 name: thyroxine namespace: chebi_ontology def: "An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions." [] subset: 3_STAR synonym: "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid" RELATED [IUPAC] synonym: "DL-Thyroxine" RELATED [ChemIDplus] synonym: "O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine" RELATED [ChemIDplus] synonym: "Thx" RELATED [IUPAC] synonym: "thyroxine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2228514 {source="Beilstein"} xref: CAS:300-30-1 {source="ChemIDplus"} xref: PMID:15206581 {source="Europe PMC"} xref: PMID:24375501 {source="Europe PMC"} xref: PMID:9824273 {source="Europe PMC"} is_a: CHEBI:24863 ! iodophenol is_a: CHEBI:24864 ! iodothyronine is_a: CHEBI:53291 ! 2-halophenol is_a: CHEBI:62761 ! tyrosine derivative is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: has_role CHEBI:52290 ! mitogen relationship: is_tautomer_of CHEBI:305790 ! thyroxine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "776.87006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.68669" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O" xsd:string [Term] id: CHEBI:30661 name: thyronine namespace: chebi_ontology def: "A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl." [] subset: 3_STAR synonym: "2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid" RELATED [IUPAC] synonym: "O-(4-hydroxyphenyl)-DL-tyrosine" RELATED [ChemIDplus] synonym: "thyronine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2947040 {source="Beilstein"} xref: CAS:1034-10-2 {source="ChemIDplus"} xref: Gmelin:419747 {source="Gmelin"} xref: PMID:15643926 {source="Europe PMC"} xref: Reaxys:2947040 {source="Reaxys"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:62761 ! tyrosine derivative is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H15NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KKCIOUWDFWQUBT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.28394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.10011" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O" xsd:string [Term] id: CHEBI:30664 name: cyclopentadiene namespace: chebi_ontology subset: 3_STAR synonym: "1,3-cyclopentadiene" RELATED [NIST_Chemistry_WebBook] synonym: "cyclopenta-1,3-diene" EXACT IUPAC_NAME [IUPAC] synonym: "cyclopentadiene" EXACT [ChemIDplus] synonym: "HCp" RELATED [IUPAC] synonym: "pentole" RELATED [ChemIDplus] synonym: "pyropentylene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:471171 {source="Beilstein"} xref: CAS:542-92-7 {source="NIST Chemistry WebBook"} xref: CAS:542-92-7 {source="ChemIDplus"} xref: Gmelin:1311 {source="Gmelin"} is_a: CHEBI:36401 ! cycloalkadiene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSWFCLXCOIISFI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "66.10114" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "66.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CC=C1" xsd:string [Term] id: CHEBI:30672 name: ferrocene namespace: chebi_ontology def: "A bis(eta(5)-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes." [] subset: 3_STAR synonym: "[Fe(eta(5)-C5H5)2]" RELATED [IUPAC] synonym: "[FeCp2]" RELATED [MolBase] synonym: "bis(cyclopentadienyl)iron" RELATED [NIST_Chemistry_WebBook] synonym: "bis(eta(5)-2,4-cyclopentadien-1-yl)iron" RELATED [NIST_Chemistry_WebBook] synonym: "bis(eta(5)-cyclopentadienyl)iron" EXACT IUPAC_NAME [IUPAC] synonym: "bis(eta(5)-cyclopentadienyl)iron(II)" EXACT IUPAC_NAME [IUPAC] synonym: "biscyclopentadienyliron" RELATED [ChemIDplus] synonym: "di(pi-cyclopentadienyl)iron" RELATED [NIST_Chemistry_WebBook] synonym: "di-2,4-cyclopentadien-1-yliron" RELATED [ChemIDplus] synonym: "dicyclopentadienyl iron" RELATED [ChemIDplus] synonym: "Dicyclopentadienyleisen" RELATED [ChEBI] synonym: "Ferrocen" RELATED [ChEBI] synonym: "ferrocene" EXACT IUPAC_NAME [IUPAC] synonym: "ferrocene" EXACT [ChEBI] synonym: "iron bis(cyclopentadiene)" RELATED [ChemIDplus] synonym: "iron bis(cyclopentadienide)" RELATED [ChemIDplus] synonym: "iron dicyclopentadienyl" RELATED [ChemIDplus] xref: Beilstein:6609436 {source="Beilstein"} xref: CAS:102-54-5 {source="ChemIDplus"} xref: CAS:102-54-5 {source="NIST Chemistry WebBook"} xref: Gmelin:3385 {source="Gmelin"} xref: MolBase:740 xref: PMID:17455192 {source="Europe PMC"} xref: PMID:21270987 {source="Europe PMC"} xref: PMID:21338333 {source="Europe PMC"} xref: PMID:21428900 {source="Europe PMC"} xref: Reaxys:6609436 {source="Reaxys"} xref: Wikipedia:Ferrocene is_a: CHEBI:51002 ! bis(eta(5)-cyclopentadienyl)metal(II) is_a: CHEBI:51005 ! ferrocenes relationship: has_role CHEBI:62803 ! fuel additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFRHTHSZMBROSH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.03140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.01319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C3C4C5C1[Fe]23451234C5C1C2C3C45" xsd:string [Term] id: CHEBI:30682 name: ruthenium atom namespace: chebi_ontology subset: 3_STAR synonym: "44Ru" RELATED [IUPAC] synonym: "Ru" RELATED [IUPAC] synonym: "rutenio" RELATED [ChEBI] synonym: "Ruthenium" RELATED [ChEBI] synonym: "ruthenium" EXACT IUPAC_NAME [IUPAC] synonym: "ruthenium" RELATED [ChEBI] xref: CAS:7440-18-8 {source="NIST Chemistry WebBook"} xref: CAS:7440-18-8 {source="ChemIDplus"} xref: WebElements:Ru is_a: CHEBI:33356 ! iron group element atom is_a: CHEBI:33365 ! platinum group metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ru" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ru" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KJTLSVCANCCWHF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.90434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ru]" xsd:string [Term] id: CHEBI:30687 name: osmium atom namespace: chebi_ontology subset: 3_STAR synonym: "76Os" RELATED [IUPAC] synonym: "Os" RELATED [IUPAC] synonym: "osmio" RELATED [ChEBI] synonym: "osmium" EXACT IUPAC_NAME [IUPAC] synonym: "osmium" RELATED [ChEBI] xref: CAS:7440-04-2 {source="NIST Chemistry WebBook"} xref: CAS:7440-04-2 {source="ChemIDplus"} xref: Gmelin:16234 {source="Gmelin"} xref: WebElements:Os is_a: CHEBI:33356 ! iron group element atom is_a: CHEBI:33365 ! platinum group metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Os" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Os" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SYQBFIAQOQZEGI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "190.23000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "191.96148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Os]" xsd:string [Term] id: CHEBI:30721 name: epoxy group namespace: chebi_ontology subset: 3_STAR synonym: "epoxy" RELATED [ChEBI] synonym: "oxirane-2,3-diyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24433 ! group relationship: is_substituent_group_from CHEBI:27561 ! oxirane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.03668" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(*)(O1)[H])(*)[H]" xsd:string [Term] id: CHEBI:30742 name: ethylene glycol namespace: chebi_ontology alt_id: CHEBI:21317 alt_id: CHEBI:42277 alt_id: CHEBI:5473 def: "A 1,2-glycol compound produced via reaction of ethylene oxide with water." [] subset: 3_STAR synonym: "1,2-Dihydroxyethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-ETHANEDIOL" RELATED [PDBeChem] synonym: "1,2-Ethanediol" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxyethanol" RELATED [NIST_Chemistry_WebBook] synonym: "ethane-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Ethanediol" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylene glycol" EXACT [KEGG_COMPOUND] synonym: "ethylene glycol" EXACT IUPAC_NAME [IUPAC] synonym: "ethylene glycol" EXACT [UniProt] synonym: "Glycol" RELATED [KEGG_COMPOUND] synonym: "HO-CH2-CH2-OH" RELATED [IUPAC] synonym: "Monoethylene glycol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:505945 {source="Beilstein"} xref: CAS:107-21-1 {source="NIST Chemistry WebBook"} xref: CAS:107-21-1 {source="ChemIDplus"} xref: CAS:107-21-1 {source="KEGG COMPOUND"} xref: Gmelin:943 {source="Gmelin"} xref: KEGG:C01380 xref: KEGG:C15588 xref: KNApSAcK:C00007409 xref: MetaCyc:GLYCOL xref: PDBeChem:EDO xref: PMID:10349109 {source="Europe PMC"} xref: PMID:15716482 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17186009 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:18612987 {source="Europe PMC"} xref: PMID:23764541 {source="Europe PMC"} xref: PMID:23827374 {source="Europe PMC"} xref: PMID:24045699 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:9463526 {source="Europe PMC"} xref: PPDB:1310 xref: Reaxys:505945 {source="Reaxys"} xref: UM-BBD_compID:c0542 {source="UM-BBD"} xref: Wikipedia:Ethylene_Glycol is_a: CHEBI:13643 ! glycol is_a: CHEBI:23976 ! ethanediol relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYCAIKOWRPUZTN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.06784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCO" xsd:string [Term] id: CHEBI:30745 name: phenylacetic acid namespace: chebi_ontology alt_id: CHEBI:25977 alt_id: CHEBI:44686 alt_id: CHEBI:8085 def: "A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group." [] subset: 3_STAR synonym: "2-PHENYLACETIC ACID" RELATED [PDBeChem] synonym: "2-Phenylethanoic acid" RELATED [HMDB] synonym: "alpha-toluic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzeneacetic acid" RELATED [KEGG_COMPOUND] synonym: "benzeneacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzylformic acid" RELATED [KEGG_COMPOUND] synonym: "Omega-Phenylacetic acid" RELATED [HMDB] synonym: "omega-phenylacetic acid" RELATED [HMDB] synonym: "PA" RELATED [ChEBI] synonym: "Phenylacetic acid" EXACT [KEGG_COMPOUND] synonym: "phenylacetic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1099647 {source="Beilstein"} xref: CAS:103-82-2 {source="KEGG COMPOUND"} xref: CAS:103-82-2 {source="ChemIDplus"} xref: CAS:103-82-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:4624 {source="DrugCentral"} xref: ECMDB:ECMDB04128 xref: Gmelin:68976 {source="Gmelin"} xref: HMDB:HMDB0000209 xref: KEGG:C07086 xref: KNApSAcK:C00000750 xref: MetaCyc:PHENYLACETATE xref: PDBeChem:PAC xref: PMID:12147706 {source="Europe PMC"} xref: PMID:12569987 {source="Europe PMC"} xref: PMID:15057459 {source="Europe PMC"} xref: PMID:15506622 {source="Europe PMC"} xref: PMID:15646820 {source="Europe PMC"} xref: PMID:17622769 {source="Europe PMC"} xref: PMID:2083978 {source="Europe PMC"} xref: PMID:24587751 {source="Europe PMC"} xref: PMID:24631718 {source="Europe PMC"} xref: PMID:7544181 {source="Europe PMC"} xref: PMID:7716788 {source="Europe PMC"} xref: Reaxys:1099647 {source="Reaxys"} xref: Wikipedia:Phenylacetic_acid xref: YMDB:YMDB00891 is_a: CHEBI:25978 ! phenylacetic acids relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:22676 ! auxin relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:35219 ! plant growth retardant relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76956 ! Aspergillus metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:90318 ! EC 6.4.1.1 (pyruvate carboxylase) inhibitor relationship: is_conjugate_acid_of CHEBI:18401 ! phenylacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLJVXDMOQOGPHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.14792" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Cc1ccccc1" xsd:string [Term] id: CHEBI:30746 name: benzoic acid namespace: chebi_ontology alt_id: CHEBI:22722 alt_id: CHEBI:3029 alt_id: CHEBI:41051 def: "A compound comprising a benzene ring core carrying a carboxylic acid substituent." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. subset: 3_STAR synonym: "acide benzoique" RELATED [ChEBI] synonym: "Aromatic carboxylic acid" RELATED [KEGG_COMPOUND] synonym: "Benzenecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "Benzeneformic acid" RELATED [HMDB] synonym: "Benzenemethanoic acid" RELATED [HMDB] synonym: "Benzoesaeure" RELATED [ChEBI] synonym: "BENZOIC ACID" EXACT [PDBeChem] synonym: "Benzoic acid" EXACT [KEGG_COMPOUND] synonym: "benzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Dracylic acid" RELATED [KEGG_COMPOUND] synonym: "E210" RELATED [ChEBI] synonym: "Phenylcarboxylic acid" RELATED [HMDB] synonym: "Phenylformic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:636131 {source="Beilstein"} xref: CAS:65-85-0 {source="KEGG COMPOUND"} xref: CAS:65-85-0 {source="NIST Chemistry WebBook"} xref: CAS:65-85-0 {source="ChemIDplus"} xref: Codex:\:210 xref: Drug_Central:4664 {source="DrugCentral"} xref: DrugBank:DB03793 xref: Europe:\:210 xref: Gmelin:2946 {source="Gmelin"} xref: HMDB:HMDB0001870 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3013 xref: KEGG:C00180 xref: KEGG:C00539 xref: KEGG:D00038 xref: KNApSAcK:C00000207 xref: LINCS:LSM-37118 xref: MetaCyc:BENZOATE xref: PDBeChem:BEZ xref: PMID:16728954 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:18314336 {source="Europe PMC"} xref: PPDB:1475 xref: Reaxys:636131 {source="Reaxys"} xref: Wikipedia:Benzoic_Acid xref: YMDB:YMDB02301 is_a: CHEBI:22723 ! benzoic acids is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:64996 ! EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor relationship: has_role CHEBI:65001 ! EC 3.1.1.3 (triacylglycerol lipase) inhibitor relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:16150 ! benzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WPYMKLBDIGXBTP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.12130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccc1" xsd:string property_value: IAO:0000118 "benzoic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30751 name: formic acid namespace: chebi_ontology alt_id: CHEBI:24082 alt_id: CHEBI:42460 alt_id: CHEBI:5145 def: "The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "Acide formique" RELATED [ChemIDplus] synonym: "Ameisensaeure" RELATED [ChemIDplus] synonym: "aminic acid" RELATED [ChemIDplus] synonym: "bilorin" RELATED [ChemIDplus] synonym: "FORMIC ACID" EXACT [PDBeChem] synonym: "Formic acid" EXACT [KEGG_COMPOUND] synonym: "formic acid" EXACT IUPAC_NAME [IUPAC] synonym: "formylic acid" RELATED [ChemIDplus] synonym: "H-COOH" RELATED [IUPAC] synonym: "HCO2H" RELATED [ChEBI] synonym: "HCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylic acid" RELATED [ChemIDplus] synonym: "Methanoic acid" RELATED [KEGG_COMPOUND] synonym: "methoic acid" RELATED [ChEBI] xref: Beilstein:1209246 {source="Beilstein"} xref: BPDB:1749 xref: CAS:64-18-6 {source="NIST Chemistry WebBook"} xref: CAS:64-18-6 {source="ChemIDplus"} xref: CAS:64-18-6 {source="KEGG COMPOUND"} xref: DrugBank:DB01942 xref: Gmelin:1008 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: KNApSAcK:C00001182 xref: LIPID_MAPS_instance:LMFA01010040 {source="LIPID MAPS"} xref: MetaCyc:FORMATE xref: Patent:CN101481304 xref: PDBeChem:FMT xref: PMID:12591956 {source="Europe PMC"} xref: PMID:14637377 {source="Europe PMC"} xref: PMID:15811469 {source="Europe PMC"} xref: PMID:16120414 {source="Europe PMC"} xref: PMID:16185830 {source="Europe PMC"} xref: PMID:16222862 {source="Europe PMC"} xref: PMID:16230297 {source="Europe PMC"} xref: PMID:16445901 {source="Europe PMC"} xref: PMID:16465784 {source="Europe PMC"} xref: PMID:18034701 {source="Europe PMC"} xref: PMID:18397576 {source="Europe PMC"} xref: PMID:22080171 {source="Europe PMC"} xref: PMID:22280475 {source="Europe PMC"} xref: PMID:22304812 {source="Europe PMC"} xref: PMID:22385261 {source="Europe PMC"} xref: PMID:22447125 {source="Europe PMC"} xref: PMID:22483350 {source="Europe PMC"} xref: PMID:22499553 {source="Europe PMC"} xref: PMID:22540994 {source="Europe PMC"} xref: PMID:22606986 {source="Europe PMC"} xref: PMID:22622393 {source="Europe PMC"} xref: PMID:3946945 {source="Europe PMC"} xref: PMID:7361809 {source="Europe PMC"} xref: Reaxys:1209246 {source="Reaxys"} xref: Wikipedia:Formic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48356 ! protic solvent relationship: has_role CHEBI:74783 ! astringent relationship: is_conjugate_acid_of CHEBI:15740 ! formate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.02538" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(O)=O" xsd:string [Term] id: CHEBI:30762 name: salicylate namespace: chebi_ontology alt_id: CHEBI:15061 alt_id: CHEBI:26595 def: "A monohydroxybenzoate that is the conjugate base of salicylic acid." [] subset: 3_STAR synonym: "2-hydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxybenzoic acid ion(1-)" RELATED [ChemIDplus] synonym: "o-hydroxybenzoate" RELATED [ChemIDplus] synonym: "sal" RELATED [IUPAC] synonym: "Salicylate" EXACT [KEGG_COMPOUND] synonym: "salicylate" EXACT [UniProt] xref: Beilstein:3605209 {source="Beilstein"} xref: CAS:63-36-5 {source="ChemIDplus"} xref: Gmelin:3417 {source="Gmelin"} xref: KEGG:C00805 xref: PMID:16669002 {source="Europe PMC"} xref: PMID:16934829 {source="Europe PMC"} xref: Reaxys:3605209 {source="Reaxys"} xref: UM-BBD_compID:c0043 {source="UM-BBD"} is_a: CHEBI:25388 ! monohydroxybenzoate relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:16914 ! salicylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGSDEFSMJLZEOE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.02442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1C([O-])=O" xsd:string [Term] id: CHEBI:30763 name: 4-hydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:1858 alt_id: CHEBI:20398 alt_id: CHEBI:44949 def: "A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring." [] subset: 3_STAR synonym: "4-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "4-Hydroxybenzoic acid" EXACT [KEGG_COMPOUND] synonym: "4-hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "P-HYDROXYBENZOIC ACID" RELATED [PDBeChem] synonym: "p-hydroxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-salicylic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:970950 {source="Beilstein"} xref: CAS:99-96-7 {source="NIST Chemistry WebBook"} xref: CAS:99-96-7 {source="ChemIDplus"} xref: CAS:99-96-7 {source="KEGG COMPOUND"} xref: DrugBank:DB04242 xref: ECMDB:ECMDB00500 xref: Gmelin:3102 {source="Gmelin"} xref: HMDB:HMDB0000500 xref: KEGG:C00156 xref: KNApSAcK:C00000856 xref: PDBeChem:PHB xref: PMID:17185273 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24128482 {source="Europe PMC"} xref: PMID:24236566 {source="Europe PMC"} xref: Reaxys:970950 {source="Reaxys"} xref: Wikipedia:4-Hydroxybenzoic_acid xref: YMDB:YMDB00495 is_a: CHEBI:25389 ! monohydroxybenzoic acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:17879 ! 4-hydroxybenzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FJKROLUGYXJWQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.12074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:30768 name: propionic acid namespace: chebi_ontology alt_id: CHEBI:26304 alt_id: CHEBI:45227 alt_id: CHEBI:8476 def: "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. subset: 3_STAR synonym: "acide propanoique" RELATED [ChEBI] synonym: "acide propionique" RELATED [NIST_Chemistry_WebBook] synonym: "carboxyethane" RELATED [ChemIDplus] synonym: "CH3-CH2-COOH" RELATED [IUPAC] synonym: "ethanecarboxylic acid" RELATED [ChemIDplus] synonym: "ethylformic acid" RELATED [ChemIDplus] synonym: "metacetonic acid" RELATED [ChemIDplus] synonym: "methylacetic acid" RELATED [ChemIDplus] synonym: "PA" RELATED [ChEBI] synonym: "PROPANOIC ACID" RELATED [PDBeChem] synonym: "Propanoic acid" RELATED [KEGG_COMPOUND] synonym: "propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "propioic acid" RELATED [LIPID_MAPS] synonym: "Propionic acid" EXACT [KEGG_COMPOUND] synonym: "propionic acid" EXACT [IUPAC] synonym: "propionic acid" RELATED [] synonym: "Propionsaeure" RELATED [ChEBI] synonym: "propoic acid" RELATED [ChEBI] synonym: "pseudoacetic acid" RELATED [ChemIDplus] xref: Beilstein:506071 {source="Beilstein"} xref: CAS:79-09-4 {source="KEGG COMPOUND"} xref: CAS:79-09-4 {source="NIST Chemistry WebBook"} xref: CAS:79-09-4 {source="ChemIDplus"} xref: Codex:\:280 xref: DrugBank:DB03766 xref: Europe:\:280 xref: Gmelin:1821 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3227 xref: KEGG:C00163 xref: KEGG:D02310 xref: LIPID_MAPS_instance:LMFA01010003 {source="LIPID MAPS"} xref: PDBeChem:PPI xref: PMID:15868474 {source="Europe PMC"} xref: PMID:1628870 {source="Europe PMC"} xref: PMID:16763906 {source="Europe PMC"} xref: PPDB:1341 is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:26666 ! short-chain fatty acid relationship: has_role CHEBI:86327 ! antifungal drug relationship: is_conjugate_acid_of CHEBI:17272 ! propionate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(O)=O" xsd:string property_value: IAO:0000118 "propionic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30772 name: butyric acid namespace: chebi_ontology alt_id: CHEBI:113450 alt_id: CHEBI:22948 alt_id: CHEBI:3234 alt_id: CHEBI:41208 def: "A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group." [] subset: 3_STAR synonym: "1-butanoic acid" RELATED [HMDB] synonym: "1-butyric acid" RELATED [HMDB] synonym: "1-propanecarboxylic acid" RELATED [MetaCyc] synonym: "4:0" RELATED [ChEBI] synonym: "acide butanoique" RELATED [IUPAC] synonym: "acide butyrique" RELATED [ChEBI] synonym: "butanic acid" RELATED [ChEBI] synonym: "Butanoate" RELATED [KEGG_COMPOUND] synonym: "BUTANOIC ACID" RELATED [PDBeChem] synonym: "Butanoic acid" RELATED [KEGG_COMPOUND] synonym: "butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "butoic acid" RELATED [ChEBI] synonym: "Buttersaeure" RELATED [ChEBI] synonym: "Butyric acid" EXACT [KEGG_COMPOUND] synonym: "butyric acid" EXACT [IUPAC] synonym: "C4:0" RELATED [ChEBI] synonym: "CH3-[CH2]2-COOH" RELATED [IUPAC] synonym: "ethylacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-butanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "propanecarboxylic acid" RELATED [HMDB] synonym: "propylformic acid" RELATED [MetaCyc] xref: Beilstein:906770 {source="Beilstein"} xref: CAS:107-92-6 {source="ChemIDplus"} xref: CAS:107-92-6 {source="NIST Chemistry WebBook"} xref: CAS:107-92-6 {source="KEGG COMPOUND"} xref: DrugBank:DB03568 xref: Gmelin:26242 {source="Gmelin"} xref: HMDB:HMDB0000039 xref: KEGG:C00246 xref: KNApSAcK:C00001180 xref: LIPID_MAPS_instance:LMFA01010004 {source="LIPID MAPS"} xref: MetaCyc:BUTYRIC_ACID xref: PDBeChem:BUA xref: PMID:10736622 {source="Europe PMC"} xref: PMID:10956204 {source="ChEMBL"} xref: PMID:11201044 {source="Europe PMC"} xref: PMID:11208715 {source="Europe PMC"} xref: PMID:11238216 {source="Europe PMC"} xref: PMID:11305323 {source="Europe PMC"} xref: PMID:12068484 {source="Europe PMC"} xref: PMID:13678314 {source="Europe PMC"} xref: PMID:14962641 {source="Europe PMC"} xref: PMID:1542095 {source="ChEMBL"} xref: PMID:15809727 {source="Europe PMC"} xref: PMID:15810631 {source="Europe PMC"} xref: PMID:15938880 {source="Europe PMC"} xref: PMID:19318247 {source="Europe PMC"} xref: PMID:19366864 {source="Europe PMC"} xref: PMID:19703412 {source="Europe PMC"} xref: PMID:21699495 {source="Europe PMC"} xref: PMID:22038864 {source="Europe PMC"} xref: PMID:22194341 {source="Europe PMC"} xref: PMID:22322557 {source="Europe PMC"} xref: PMID:22339023 {source="Europe PMC"} xref: PMID:22466881 {source="Europe PMC"} xref: Reaxys:906770 {source="Reaxys"} xref: Wikipedia:Butyric_acid is_a: CHEBI:140601 ! fatty acid 4:0 is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite relationship: is_conjugate_acid_of CHEBI:17968 ! butyrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FERIUCNNQQJTOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(O)=O" xsd:string [Term] id: CHEBI:30775 name: fluoroacetic acid namespace: chebi_ontology alt_id: CHEBI:24065 alt_id: CHEBI:5114 def: "A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine." [] subset: 3_STAR synonym: "acide-monofluoracetique" RELATED [ChemIDplus] synonym: "Cymonic acid" RELATED [KEGG_COMPOUND] synonym: "Fluoroacetic acid" EXACT [KEGG_COMPOUND] synonym: "fluoroacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Gifblaar poison" RELATED [KEGG_COMPOUND] synonym: "HFA" RELATED [KEGG_COMPOUND] synonym: "Monofluoressigsaure" RELATED [ChemIDplus] synonym: "monofluoroacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "UN 2642" RELATED [KEGG_COMPOUND] xref: Beilstein:1739053 {source="Beilstein"} xref: CAS:144-49-0 {source="NIST Chemistry WebBook"} xref: CAS:144-49-0 {source="ChemIDplus"} xref: CAS:144-49-0 {source="KEGG COMPOUND"} xref: Gmelin:25730 {source="Gmelin"} xref: KEGG:C06108 xref: KNApSAcK:C00001196 xref: PDBeChem:FAH xref: PMID:17141253 {source="Europe PMC"} xref: PMID:17425556 {source="Europe PMC"} xref: PMID:18803668 {source="Europe PMC"} xref: PMID:19069133 {source="Europe PMC"} xref: PMID:19279811 {source="Europe PMC"} xref: PMID:21411227 {source="Europe PMC"} xref: Reaxys:1739053 {source="Reaxys"} xref: Wikipedia:Fluoroacetic_acid is_a: CHEBI:16277 ! haloacetic acid is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:62608 ! EC 4.2.1.3 (aconitate hydratase) inhibitor relationship: is_conjugate_acid_of CHEBI:18172 ! fluoroacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3FO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QEWYKACRFQMRMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.04242" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.01171" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CF" xsd:string [Term] id: CHEBI:30776 name: hexanoic acid namespace: chebi_ontology alt_id: CHEBI:24571 alt_id: CHEBI:40213 alt_id: CHEBI:5702 def: "A C6, straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "1-hexanoic acid" RELATED [ChemIDplus] synonym: "1-pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "6:0" RELATED [ChEBI] synonym: "butylacetic acid" RELATED [ChemIDplus] synonym: "C6:0" RELATED [ChEBI] synonym: "caproic acid" RELATED [ChEBI] synonym: "capronic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CH3-[CH2]4-COOH" RELATED [IUPAC] synonym: "Hexanoate" RELATED [KEGG_COMPOUND] synonym: "HEXANOIC ACID" EXACT [PDBeChem] synonym: "Hexanoic acid" EXACT [KEGG_COMPOUND] synonym: "hexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Hexylic acid" RELATED [KEGG_COMPOUND] synonym: "n-Caproic acid" RELATED [KEGG_COMPOUND] synonym: "n-hexanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-hexoic acid" RELATED [ChemIDplus] synonym: "n-hexylic acid" RELATED [ChemIDplus] synonym: "Pentanecarboxylic acid" RELATED [ChemIDplus] synonym: "pentiformic acid" RELATED [ChemIDplus] synonym: "pentylformic acid" RELATED [ChemIDplus] xref: Beilstein:773837 {source="Beilstein"} xref: CAS:142-62-1 {source="NIST Chemistry WebBook"} xref: CAS:142-62-1 {source="KEGG COMPOUND"} xref: CAS:142-62-1 {source="ChemIDplus"} xref: ECMDB:ECMDB21229 xref: Gmelin:185066 {source="Gmelin"} xref: HMDB:HMDB0000535 xref: KEGG:C01585 xref: KNApSAcK:C00001218 xref: LIPID_MAPS_instance:LMFA01010006 {source="LIPID MAPS"} xref: MetaCyc:HEXANOATE xref: PDBeChem:6NA xref: PMID:10685018 {source="Europe PMC"} xref: PMID:1556177 {source="Europe PMC"} xref: PMID:24357269 {source="Europe PMC"} xref: PMID:24924750 {source="Europe PMC"} xref: Reaxys:773837 {source="Reaxys"} xref: Wikipedia:Hexanoic_acid xref: YMDB:YMDB01424 is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17120 ! hexanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUZZWVXGSFPDMH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC(O)=O" xsd:string [Term] id: CHEBI:30780 name: maleate(2-) namespace: chebi_ontology alt_id: CHEBI:14559 alt_id: CHEBI:25118 def: "A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-)" [] subset: 3_STAR synonym: "(2Z)-but-2-enedioate" EXACT IUPAC_NAME [IUPAC] synonym: "male" RELATED [IUPAC] synonym: "maleate" RELATED [UniProt] xref: Beilstein:3588415 {source="Beilstein"} xref: Gmelin:49853 {source="Gmelin"} xref: Reaxys:3588415 {source="Reaxys"} is_a: CHEBI:132951 ! maleate is_a: CHEBI:36180 ! butenedioate relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:37156 ! maleate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UPHRSURJSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.05628" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.99641" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)\\C=C/C([O-])=O" xsd:string [Term] id: CHEBI:30794 name: malonic acid namespace: chebi_ontology alt_id: CHEBI:25132 alt_id: CHEBI:44060 alt_id: CHEBI:6660 def: "An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group." [] subset: 3_STAR synonym: "H2malo" RELATED [IUPAC] synonym: "HOOC-CH2-COOH" RELATED [IUPAC] synonym: "MALONIC ACID" EXACT [PDBeChem] synonym: "Malonic acid" EXACT [KEGG_COMPOUND] synonym: "Propanedioic acid" RELATED [KEGG_COMPOUND] synonym: "propanedioic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1751370 {source="Beilstein"} xref: CAS:141-82-2 {source="NIST Chemistry WebBook"} xref: CAS:141-82-2 {source="ChemIDplus"} xref: CAS:141-82-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02175 xref: Gmelin:2550 {source="Gmelin"} xref: HMDB:HMDB0000691 xref: KEGG:C00383 xref: KNApSAcK:C00001193 xref: LIPID_MAPS_instance:LMFA01170041 {source="LIPID MAPS"} xref: MetaCyc:MALONATE xref: PDBeChem:MLA xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:1751370 {source="Reaxys"} xref: Wikipedia:Malonic_acid is_a: CHEBI:28383 ! alpha,omega-dicarboxylic acid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:30795 ! malonate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFOBLEOULBTSOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.01096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC(O)=O" xsd:string [Term] id: CHEBI:30795 name: malonate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "carboxyacetate" EXACT IUPAC_NAME [IUPAC] synonym: "Hmalo" RELATED [IUPAC] synonym: "HOOC-CH2-COO(-)" RELATED [ChEBI] synonym: "Malonic acid, conjugate base" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3904186 {source="Beilstein"} xref: Gmelin:324637 {source="Gmelin"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:15792 ! malonate(2-) relationship: is_conjugate_base_of CHEBI:30794 ! malonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFOBLEOULBTSOW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.05352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.00368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC([O-])=O" xsd:string [Term] id: CHEBI:30800 name: phthalate(1-) namespace: chebi_ontology def: "A phthalate that is the conjugate base of phthalic acid." [] subset: 3_STAR synonym: "2-carboxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen phthalate" RELATED [ChEBI] xref: Beilstein:1876115 {source="Beilstein"} xref: Gmelin:328025 {source="Gmelin"} xref: Reaxys:1876115 {source="Reaxys"} is_a: CHEBI:26092 ! phthalate is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:17563 ! phthalate(2-) relationship: is_conjugate_base_of CHEBI:29069 ! phthalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNGIFLGASWRNHJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.12290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.01933" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccc1C([O-])=O" xsd:string [Term] id: CHEBI:30802 name: isophthalic acid namespace: chebi_ontology def: "A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids." [] subset: 3_STAR synonym: "benzene-1,3-dicarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "IPA" RELATED [NIST_Chemistry_WebBook] synonym: "m-benzenedicarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "meta-benzenedicarboxylic acid" RELATED [ChEBI] xref: Beilstein:1909332 {source="Beilstein"} xref: CAS:121-91-5 {source="NIST Chemistry WebBook"} xref: CAS:121-91-5 {source="ChemIDplus"} xref: Gmelin:27618 {source="Gmelin"} xref: MetaCyc:CPD0-1267 xref: PMID:24101250 {source="Europe PMC"} xref: Reaxys:1909332 {source="Reaxys"} xref: Wikipedia:Isophthalic_acid is_a: CHEBI:26094 ! benzenedicarboxylic acid relationship: is_conjugate_acid_of CHEBI:30804 ! isophthalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQVIHTHCMHWDBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.13084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.02661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cccc(c1)C(O)=O" xsd:string [Term] id: CHEBI:30803 name: isophthalate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "1,3-benzenedicarboxylate" RELATED [ChEBI] synonym: "benzene-1,3-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "isophthalate" RELATED [IUPAC] synonym: "isophthalate" RELATED [UniProt] xref: Beilstein:3906186 {source="Beilstein"} xref: Gmelin:328933 {source="Gmelin"} is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:30804 ! isophthalate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQVIHTHCMHWDBS-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.11496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.01206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1cccc(c1)C([O-])=O" xsd:string [Term] id: CHEBI:30804 name: isophthalate(1-) namespace: chebi_ontology def: "A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid." [] subset: 3_STAR synonym: "3-carboxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen isophthalate" RELATED [IUPAC] xref: Gmelin:1947083 {source="Gmelin"} xref: MetaCyc:CPD0-1267 is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:30803 ! isophthalate(2-) relationship: is_conjugate_base_of CHEBI:30802 ! isophthalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQVIHTHCMHWDBS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.12290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.01933" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cccc(c1)C([O-])=O" xsd:string [Term] id: CHEBI:30805 name: dodecanoic acid namespace: chebi_ontology alt_id: CHEBI:23864 alt_id: CHEBI:23865 alt_id: CHEBI:41882 alt_id: CHEBI:4680 def: "A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil." [] subset: 3_STAR synonym: "1-undecanecarboxylic acid" RELATED [DrugBank] synonym: "ABL" RELATED [DrugBank] synonym: "C12 fatty acid" RELATED [DrugBank] synonym: "C12:0" RELATED [ChEBI] synonym: "CH3-[CH2]10-COOH" RELATED [IUPAC] synonym: "Coconut oil fatty acids" RELATED [DrugBank] synonym: "DAO" RELATED [DrugBank] synonym: "Dodecanoic acid" EXACT [KEGG_COMPOUND] synonym: "dodecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "dodecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Dodecylcarboxylate" RELATED [KEGG_COMPOUND] synonym: "Dodecylic acid" RELATED [DrugBank] synonym: "Duodecyclic acid" RELATED [DrugBank] synonym: "Duodecylic acid" RELATED [DrugBank] synonym: "LAURIC ACID" RELATED [PDBeChem] synonym: "Lauric acid" RELATED [KEGG_COMPOUND] synonym: "lauric acid" RELATED [ChEBI] synonym: "Laurinsaeure" RELATED [DrugBank] synonym: "Laurinsaeure" RELATED [ChEBI] synonym: "Laurostearic acid" RELATED [DrugBank] synonym: "N-dodecanoic acid" RELATED [DrugBank] synonym: "n-dodecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Undecane-1-carboxylic acid" RELATED [DrugBank] synonym: "Vulvic acid" RELATED [DrugBank] xref: Beilstein:1099477 {source="Beilstein"} xref: CAS:143-07-7 {source="ChemIDplus"} xref: CAS:143-07-7 {source="NIST Chemistry WebBook"} xref: CAS:143-07-7 {source="KEGG COMPOUND"} xref: Drug_Central:4642 {source="DrugCentral"} xref: DrugBank:DB03017 xref: Gmelin:103520 {source="Gmelin"} xref: HMDB:HMDB0000638 xref: KEGG:C02679 xref: KNApSAcK:C00001221 xref: LIPID_MAPS_instance:LMFA01010012 {source="LIPID MAPS"} xref: MetaCyc:DODECANOATE xref: PDBeChem:DAO xref: PMID:19387482 {source="Europe PMC"} xref: PMID:26884207 {source="Europe PMC"} xref: Reaxys:1099477 {source="Reaxys"} xref: UM-BBD_compID:c0566 {source="UM-BBD"} xref: Wikipedia:Lauric_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_parent_hydride CHEBI:28817 ! dodecane relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:18262 ! dodecanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "POULHZVOKOAJMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.31780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "200.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:30807 name: tetradecanoate namespace: chebi_ontology alt_id: CHEBI:35292 def: "A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "1-tetradecanecarboxylate" RELATED [ChEBI] synonym: "CH3-[CH2]12-COO(-)" RELATED [IUPAC] synonym: "myristate" RELATED [ChEBI] synonym: "n-tetradecan-1-oate" RELATED [ChEBI] synonym: "n-tetradecoate" RELATED [ChEBI] synonym: "Tetradecanoate" EXACT [KEGG_COMPOUND] synonym: "tetradecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "tetradecanoate" EXACT [UniProt] synonym: "tetradecoate" RELATED [ChEBI] xref: Beilstein:3589340 {source="Beilstein"} xref: Gmelin:335122 {source="Gmelin"} xref: KEGG:C06424 xref: Reaxys:3589340 {source="Reaxys"} is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:76619 ! omega-methyl fatty acid anion is_a: CHEBI:76928 ! 2,3-saturated fatty acid(1-) is_a: CHEBI:78121 ! fatty acid anion 14:0 relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28875 ! tetradecanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TUNFSRHWOTWDNC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.20165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCCC)CCCCC([O-])=O" xsd:string [Term] id: CHEBI:30813 name: decanoic acid namespace: chebi_ontology alt_id: CHEBI:23572 alt_id: CHEBI:41906 alt_id: CHEBI:4347 def: "A C10, straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "1-nonanecarboxylic acid" RELATED [ChemIDplus] synonym: "10:0" RELATED [ChEBI] synonym: "C10:0" RELATED [ChEBI] synonym: "capric acid" RELATED [ChEBI] synonym: "caprinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "CH3-[CH2]8-COOH" RELATED [IUPAC] synonym: "Decanoate" RELATED [KEGG_COMPOUND] synonym: "DECANOIC ACID" EXACT [PDBeChem] synonym: "Decanoic acid" EXACT [KEGG_COMPOUND] synonym: "decanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "decoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Decylic acid" RELATED [KEGG_COMPOUND] synonym: "Dekansaeure" RELATED [ChEBI] synonym: "Kaprinsaeure" RELATED [ChEBI] synonym: "n-Capric acid" RELATED [KEGG_COMPOUND] synonym: "n-decanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-decoic acid" RELATED [ChemIDplus] synonym: "n-decylic acid" RELATED [ChemIDplus] xref: Beilstein:1754556 {source="Beilstein"} xref: CAS:334-48-5 {source="KEGG COMPOUND"} xref: CAS:334-48-5 {source="ChemIDplus"} xref: CAS:334-48-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03600 xref: ECMDB:ECMDB21204 xref: Gmelin:69184 {source="Gmelin"} xref: HMDB:HMDB0000511 xref: KEGG:C01571 xref: KNApSAcK:C00001213 xref: LIPID_MAPS_instance:LMFA01010010 {source="LIPID MAPS"} xref: MetaCyc:CPD-3617 xref: PDBeChem:DKA xref: PMID:19168249 {source="Europe PMC"} xref: PMID:20661498 {source="Europe PMC"} xref: PMID:24284257 {source="Europe PMC"} xref: PMID:24357269 {source="Europe PMC"} xref: YMDB:YMDB00677 is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_parent_hydride CHEBI:41808 ! decane relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:27689 ! decanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H20O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHVNFZFCNZKVNT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.265" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.14633" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCC)CCC(=O)O" xsd:string [Term] id: CHEBI:30823 name: oleate namespace: chebi_ontology alt_id: CHEBI:14684 alt_id: CHEBI:25663 def: "A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group." [] subset: 3_STAR synonym: "(9Z)-octadec-9-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z)-octadecenoate" RELATED [UniProt] synonym: "(Z)-9-octadecenoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "cis-9-octadecenoate" RELATED [CBN] synonym: "Oleat" RELATED [ChEBI] synonym: "oleic acid anion" RELATED [ChEBI] xref: Beilstein:1913148 {source="Beilstein"} xref: CAS:115-06-0 {source="ChemIDplus"} xref: Gmelin:344067 {source="Gmelin"} xref: PMID:12429352 {source="Europe PMC"} xref: Reaxys:1913148 {source="Reaxys"} is_a: CHEBI:132944 ! octadec-9-enoate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:16196 ! oleic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H33O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-KTKRTIGZSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.45342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.24860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:30879 name: alcohol namespace: chebi_ontology alt_id: CHEBI:13804 alt_id: CHEBI:22288 alt_id: CHEBI:2553 def: "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." [] subset: 3_STAR synonym: "Alcohol" EXACT [KEGG_COMPOUND] synonym: "alcohols" EXACT IUPAC_NAME [IUPAC] synonym: "an alcohol" RELATED [UniProt] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3324 xref: KEGG:C00069 is_a: CHEBI:33822 ! organic hydroxy compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[*]" xsd:string property_value: IAO:0000118 "alcohol" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:30898 name: naphthalene-2,7-disulfonic acid namespace: chebi_ontology def: "A naphthalenesulfonic acid in which the sulfo groups are attached to positions 2 and 7 of the naphthalene ring." [] subset: 3_STAR synonym: "2,7-naphthalenedisulfonic acid" RELATED [ChemIDplus] synonym: "Ebert-Merz alpha-acid" RELATED [ChEBI] synonym: "naphthalene-2,7-disulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "naphthalene-2,7-disulphonic acid" RELATED [ChemIDplus] xref: Beilstein:2221087 {source="Beilstein"} xref: CAS:92-41-1 {source="ChemIDplus"} xref: Reaxys:2221087 {source="Reaxys"} is_a: CHEBI:36336 ! naphthalenesulfonic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VILFVXYKHXVYAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.29892" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.97623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(=O)(=O)c1ccc2ccc(cc2c1)S(O)(=O)=O" xsd:string [Term] id: CHEBI:3090 name: bicalutamide namespace: chebi_ontology alt_id: CHEBI:91617 def: "A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism." [] subset: 3_STAR synonym: "(+-)-bicalutamide" RELATED [ChEBI] synonym: "(RS)-4'-cyano-alpha',alpha',alpha',-trifluoro-3-(4-fluorophenylsulphonyl)-2-hydroxy-2-methylpropiono-m-toluidide" RELATED [ChEBI] synonym: "(RS)-bicalutamide" RELATED [ChEBI] synonym: "Bicadex" RELATED BRAND_NAME [ChEBI] synonym: "Bical" RELATED BRAND_NAME [ChEBI] synonym: "Bicalox" RELATED BRAND_NAME [ChEBI] synonym: "bicalutamida" RELATED INN [WHO_MedNet] synonym: "bicalutamide" RELATED INN [WHO_MedNet] synonym: "bicalutamidum" RELATED INN [WHO_MedNet] synonym: "Bicamide" RELATED BRAND_NAME [ChEBI] synonym: "Bicatlon" RELATED BRAND_NAME [ChEBI] synonym: "Bicusan" RELATED BRAND_NAME [ChEBI] synonym: "Binabic" RELATED BRAND_NAME [ChEBI] synonym: "Bypro" RELATED BRAND_NAME [ChEBI] synonym: "Calumid" RELATED BRAND_NAME [ChEBI] synonym: "Calutide" RELATED BRAND_NAME [LINCS] synonym: "Calutol" RELATED BRAND_NAME [ChEBI] synonym: "Casodex" RELATED BRAND_NAME [DrugBank] synonym: "Cosudex" RELATED BRAND_NAME [LINCS] synonym: "ICI 176,334" RELATED [ChemIDplus] synonym: "ICI 176334" RELATED [ChemIDplus] synonym: "ICI-176334" RELATED [DrugBank] synonym: "Kalumid" RELATED BRAND_NAME [LINCS] synonym: "Ormandyl" RELATED BRAND_NAME [ChEBI] synonym: "rac-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide" EXACT IUPAC_NAME [IUPAC] synonym: "racemic bicalutamide" RELATED [ChEBI] xref: Beilstein:5364666 {source="Beilstein"} xref: CAS:90357-06-5 {source="NIST Chemistry WebBook"} xref: CAS:90357-06-5 {source="ChemIDplus"} xref: Drug_Central:367 {source="DrugCentral"} xref: DrugBank:DB01128 xref: HMDB:HMDB0015260 xref: KEGG:C08160 xref: KEGG:D00961 xref: LINCS:LSM-1437 xref: Patent:EP100172 xref: Patent:US4636505 xref: PMID:11915584 {source="Europe PMC"} xref: PMID:12015321 {source="Europe PMC"} xref: PMID:12017896 {source="Europe PMC"} xref: PMID:12421104 {source="Europe PMC"} xref: PMID:12959312 {source="Europe PMC"} xref: PMID:15509184 {source="Europe PMC"} xref: PMID:17313204 {source="Europe PMC"} xref: PMID:18062751 {source="Europe PMC"} xref: PMID:19194583 {source="Europe PMC"} xref: PMID:23527766 {source="Europe PMC"} xref: PMID:30784326 {source="Europe PMC"} xref: PMID:31099426 {source="Europe PMC"} xref: Reaxys:5364666 {source="Reaxys"} xref: Wikipedia:Bicalutamide is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:144094 ! (S)-bicalutamide relationship: has_part CHEBI:39589 ! (R)-bicalutamide relationship: has_role CHEBI:35497 ! androgen antagonist relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H14F4N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.06104" xsd:string [Term] id: CHEBI:30911 name: glucitol namespace: chebi_ontology alt_id: CHEBI:15093 alt_id: CHEBI:26724 alt_id: CHEBI:26726 alt_id: CHEBI:33795 alt_id: CHEBI:33796 alt_id: CHEBI:9201 comment: LanguaL term definition: Food additive; technological purpose(s): bulking agent, humectant, sequestrant, stabilizer, sweetener. subset: 3_STAR synonym: "glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "gulitol" RELATED [ChEBI] synonym: "rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "Sorbitol" RELATED [KEGG_COMPOUND] synonym: "sorbitol" RELATED [] xref: Beilstein:1721909 {source="Beilstein"} xref: Codex:\:420 xref: Codex:\:420(i) xref: Europe:\:420 xref: Gmelin:83165 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3285 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4427 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0281 xref: Wikipedia:Sorbitol is_a: CHEBI:17634 ! D-glucose is_a: CHEBI:24583 ! hexitol is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.07904" xsd:string property_value: IAO:0000118 "sorbitol" xsd:string property_value: IAO:0000118 "sorbitol as food source" xsd:string property_value: IAO:0000118 "sorbitols" xsd:string property_value: IAO:0000118 "sorbitols as food source" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3093 name: bifenthrin namespace: chebi_ontology def: "A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol." [] subset: 3_STAR synonym: "(2-methyl-[1,1'-biphenyl]-3-yl)methyl rel-(1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Bifenthrin" EXACT [KEGG_COMPOUND] synonym: "Biphenthrin" RELATED [ChemIDplus] xref: Beilstein:8512305 {source="Beilstein"} xref: CAS:82657-04-3 {source="KEGG COMPOUND"} xref: CAS:82657-04-3 {source="ChemIDplus"} xref: KEGG:C10980 xref: PMID:19950221 {source="Europe PMC"} xref: PMID:20563640 {source="Europe PMC"} xref: PMID:21104824 {source="Europe PMC"} xref: PMID:21246035 {source="Europe PMC"} xref: PMID:21360666 {source="Europe PMC"} xref: PMID:21370390 {source="Europe PMC"} xref: PMID:21394881 {source="Europe PMC"} xref: PMID:21503692 {source="Europe PMC"} xref: PMID:21520766 {source="Europe PMC"} xref: PMID:21563678 {source="Europe PMC"} xref: PMID:21635642 {source="Europe PMC"} xref: PMID:21718662 {source="Europe PMC"} xref: PMID:21735922 {source="Europe PMC"} xref: PMID:21770011 {source="Europe PMC"} xref: PMID:21819079 {source="Europe PMC"} is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:39103 ! cis-chrysanthemic acid relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H22ClF3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OMFRMAHOUUJSGP-IRHGGOMRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "422.86749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "422.12604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c(COC(=O)[C@@H]2[C@H](\\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1" xsd:string [Term] id: CHEBI:3095 name: biguanide namespace: chebi_ontology subset: 3_STAR synonym: "1,2,3-triimidodicarbonic diamide" EXACT IUPAC_NAME [IUPAC] synonym: "Biguanide" EXACT [KEGG_COMPOUND] synonym: "biguanide" EXACT IUPAC_NAME [IUPAC] synonym: "H2N-C(=NH)-NH-C(=NH)-NH2" RELATED [IUPAC] synonym: "Hbig" RELATED [IUPAC] synonym: "imidodicarbonimidic diamide" RELATED [IUPAC] xref: Beilstein:507183 {source="Beilstein"} xref: CAS:56-03-1 {source="ChemIDplus"} xref: CAS:56-03-1 {source="KEGG COMPOUND"} xref: Gmelin:240093 {source="Gmelin"} xref: KEGG:C07672 is_a: CHEBI:24436 ! guanidines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNCOSPRUTUOJCJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.11068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.07015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NC(N)=N" xsd:string [Term] id: CHEBI:30956 name: trichloroacetic acid namespace: chebi_ontology alt_id: CHEBI:27095 alt_id: CHEBI:9684 def: "A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine." [] subset: 3_STAR synonym: "TCA" RELATED [NIST_Chemistry_WebBook] synonym: "TCA" RELATED [KEGG_COMPOUND] synonym: "trichloracetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Trichloressigsaeure" RELATED [ChEBI] synonym: "Trichloroacetic acid" EXACT [KEGG_COMPOUND] synonym: "trichloroacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "trichloroethanoic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:970119 {source="Beilstein"} xref: CAS:76-03-9 {source="KEGG COMPOUND"} xref: CAS:76-03-9 {source="ChemIDplus"} xref: CAS:76-03-9 {source="NIST Chemistry WebBook"} xref: Drug_Central:3627 {source="DrugCentral"} xref: Gmelin:2842 {source="Gmelin"} xref: KEGG:C11150 xref: KEGG:D08633 xref: MetaCyc:CPD-9675 xref: PMID:12573897 {source="Europe PMC"} xref: PMID:16298895 {source="Europe PMC"} xref: PMID:16815816 {source="Europe PMC"} xref: PMID:16901594 {source="Europe PMC"} xref: PMID:21269351 {source="Europe PMC"} xref: PMID:21332915 {source="Europe PMC"} xref: PMID:21457391 {source="Europe PMC"} xref: PMID:21497335 {source="Europe PMC"} xref: PMID:21523508 {source="Europe PMC"} xref: PMID:21529453 {source="Europe PMC"} xref: PMID:21549800 {source="Europe PMC"} xref: PMID:21716542 {source="Europe PMC"} xref: Reaxys:970119 {source="Reaxys"} xref: Wikipedia:Trichloroacetic_Acid is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:36683 ! organochlorine compound relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:27455 ! trichloroacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HCl3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNJBWRMUSHSURL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.38624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "161.90421" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:30958 name: Sudan I namespace: chebi_ontology subset: 3_STAR synonym: "1-(Phenylazo)-2-naphthalenol" RELATED [ChemIDplus] synonym: "1-(phenyldiazenyl)naphthalen-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "1-Phenylazo-2-naphthol" RELATED [ChemIDplus] synonym: "1-phenylazo-beta-naphthol" RELATED [ChEBI] synonym: "benzeneazo-beta-naphthol" RELATED [ChemIDplus] synonym: "C.I. Solvent Yellow 14" RELATED [KEGG_COMPOUND] synonym: "Fast Oil Orange" RELATED [ChemIDplus] synonym: "Fast Orange" RELATED [ChemIDplus] synonym: "Grasal Orange" RELATED [ChemIDplus] synonym: "Soudan I" RELATED [ChemIDplus] synonym: "Spirit Orange" RELATED [ChemIDplus] xref: CAS:842-07-9 {source="ChemIDplus"} xref: CAS:842-07-9 {source="KEGG COMPOUND"} xref: KEGG:C19525 is_a: CHEBI:37533 ! azo compound relationship: has_functional_parent CHEBI:10432 ! 2-naphthol relationship: has_role CHEBI:37958 ! dye property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MRQIXHXHHPWVIL-ISLYRVAYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "248.27936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "248.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc2ccccc2c1\\N=N\\c1ccccc1" xsd:string [Term] id: CHEBI:30965 name: oxetane namespace: chebi_ontology def: "A saturated organic heteromonocyclic parent that is a four-membered ring comprising of three carbon atoms and an oxygen atom." [] subset: 3_STAR synonym: "1,3-epoxypropane" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-propylene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-trimethylene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "oxetane" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylene oxide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:102382 {source="Beilstein"} xref: CAS:503-30-0 {source="ChemIDplus"} xref: CAS:503-30-0 {source="NIST Chemistry WebBook"} xref: Gmelin:239520 {source="Gmelin"} xref: PMID:23937240 {source="Europe PMC"} xref: PMID:24043139 {source="Europe PMC"} xref: PMID:24715520 {source="Europe PMC"} xref: Reaxys:102382 {source="Reaxys"} xref: Wikipedia:Oxetane is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:38784 ! oxetanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHHWIHXENZJRFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.07910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COC1" xsd:string [Term] id: CHEBI:30966 name: glycidol namespace: chebi_ontology alt_id: CHEBI:18722 alt_id: CHEBI:5459 subset: 3_STAR synonym: "(RS)-3-hydroxy-1,2-epoxypropane" RELATED [UM-BBD] synonym: "2,3-epoxy-1-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "3-hydroxy-1,2-epoxypropane" RELATED [NIST_Chemistry_WebBook] synonym: "3-hydroxypropylene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Glycidol" EXACT [KEGG_COMPOUND] synonym: "oxiran-2-ylmethanol" EXACT IUPAC_NAME [IUPAC] synonym: "oxiranemethanol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:383562 {source="Beilstein"} xref: Beilstein:79784 {source="Beilstein"} xref: CAS:556-52-5 {source="KEGG COMPOUND"} xref: CAS:556-52-5 {source="ChemIDplus"} xref: CAS:556-52-5 {source="NIST Chemistry WebBook"} xref: Gmelin:49490 {source="Gmelin"} xref: KEGG:C10920 xref: UM-BBD_compID:c0079 {source="UM-BBD"} is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:32955 ! epoxide relationship: has_functional_parent CHEBI:38685 ! 1,2-epoxypropane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CTKINSOISVBQLD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07854" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C1(CO)CO1" xsd:string [Term] id: CHEBI:30969 name: aziridine namespace: chebi_ontology alt_id: CHEBI:24004 alt_id: CHEBI:2954 subset: 3_STAR synonym: "azacyclopropane" RELATED [NIST_Chemistry_WebBook] synonym: "Aziridine" EXACT [KEGG_COMPOUND] synonym: "aziridine" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyleneimine" RELATED [NIST_Chemistry_WebBook] synonym: "EI" RELATED [NIST_Chemistry_WebBook] synonym: "ethyleneimine" RELATED [ChemIDplus] synonym: "ethylenimine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:102380 {source="Beilstein"} xref: CAS:151-56-4 {source="NIST Chemistry WebBook"} xref: CAS:151-56-4 {source="KEGG COMPOUND"} xref: CAS:151-56-4 {source="ChemIDplus"} xref: Gmelin:616 {source="Gmelin"} xref: KEGG:C11687 is_a: CHEBI:22681 ! aziridines is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37949 ! azacycloalkane relationship: has_role CHEBI:22333 ! alkylating agent relationship: is_conjugate_base_of CHEBI:50929 ! aziridinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NOWKCMXCCJGMRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.06784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN1" xsd:string [Term] id: CHEBI:3098 name: bile acid namespace: chebi_ontology def: "Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration." [] subset: 3_STAR synonym: "5beta-bile acid" RELATED [ChEBI] synonym: "5beta-bile acids" RELATED [ChEBI] synonym: "Bile acid" EXACT [KEGG_COMPOUND] synonym: "bile acids" RELATED [ChEBI] synonym: "Bile salt" RELATED [KEGG_COMPOUND] synonym: "Gallensaeure" RELATED [ChEBI] synonym: "Gallensaeuren" RELATED [ChEBI] xref: KEGG:C01558 is_a: CHEBI:138366 ! bile acids is_a: CHEBI:24663 ! hydroxy-5beta-cholanic acid [Term] id: CHEBI:30985 name: 4,4'-bipyridine namespace: chebi_ontology def: "A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'." [] subset: 3_STAR synonym: "4,4'-bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-bipyridyl" RELATED [ChemIDplus] synonym: "4,4'-bpy" RELATED [IUPAC] synonym: "4,4'-dipyridine" RELATED [NIST_Chemistry_WebBook] synonym: "4,4'-dipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "4,4-Bipyridin" RELATED [ChEBI] synonym: "4-(4-pyridyl)pyridine" RELATED [ChemIDplus] synonym: "gamma,gamma'-bipyridyl" RELATED [NIST_Chemistry_WebBook] synonym: "gamma,gamma'-dipyridyl" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:113176 {source="Beilstein"} xref: CAS:553-26-4 {source="ChemIDplus"} xref: CAS:553-26-4 {source="NIST Chemistry WebBook"} xref: Gmelin:3759 {source="Gmelin"} xref: PMID:24022647 {source="Europe PMC"} xref: PMID:24358992 {source="Europe PMC"} xref: PMID:24446585 {source="Europe PMC"} xref: Reaxys:113176 {source="Reaxys"} xref: Wikipedia:4\,4%27-Bipyridine is_a: CHEBI:35545 ! bipyridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWVTWFVJZLCBMC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.18400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1cc(ccn1)-c1ccncc1" xsd:string [Term] id: CHEBI:31011 name: valerate namespace: chebi_ontology alt_id: CHEBI:14751 alt_id: CHEBI:25890 def: "A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals." [] subset: 3_STAR synonym: "CH3-[CH2]3-COO(-)" RELATED [IUPAC] synonym: "n-propylacetate" RELATED [ChEBI] synonym: "pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pentanoate" RELATED [UniProt] synonym: "pentanoic acid, ion(1-)" RELATED [ChemIDplus] xref: Beilstein:3903735 {source="Beilstein"} xref: CAS:10023-74-2 {source="ChemIDplus"} xref: Gmelin:325619 {source="Gmelin"} xref: PMID:17314444 {source="Europe PMC"} xref: PMID:18783570 {source="Europe PMC"} xref: Reaxys:3903735 {source="Reaxys"} is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:17418 ! valeric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC([O-])=O" xsd:string [Term] id: CHEBI:31014 name: tetracosanoate namespace: chebi_ontology def: "A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "CH3-[CH2]22-COO(-)" RELATED [IUPAC] synonym: "Lignocerat" RELATED [ChEBI] synonym: "lignocerate" RELATED [CBN] synonym: "n-tetracosanoate" RELATED [ChEBI] synonym: "tetracosanate" RELATED [ChEBI] synonym: "Tetracosanoat" RELATED [ChEBI] synonym: "tetracosanoate" EXACT [UniProt] synonym: "tetracosanoate" EXACT IUPAC_NAME [IUPAC] synonym: "tetracosoate" RELATED [ChEBI] synonym: "tetraeicosanoate" RELATED [ChEBI] xref: Gmelin:373325 {source="Gmelin"} xref: MetaCyc:TETRACOSANOATE is_a: CHEBI:58950 ! very long-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:78128 ! fatty acid anion 24:0 is_a: CHEBI:83955 ! 2-saturated fatty acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:28866 ! tetracosanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H47O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZZGJDVWLFXDLK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "367.62880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "367.35815" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:31206 name: ammonium chloride namespace: chebi_ontology def: "An inorganic chloride having ammonium as the counterion." [] subset: 3_STAR synonym: "[NH4]Cl" RELATED [IUPAC] synonym: "Ammonium chloride" EXACT [KEGG_COMPOUND] synonym: "ammonium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Ammoniumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "azanium chloride" RELATED [ChEBI] synonym: "NH4Cl" RELATED [IUPAC] xref: CAS:12125-02-9 {source="NIST Chemistry WebBook"} xref: CAS:12125-02-9 {source="KEGG COMPOUND"} xref: CAS:12125-02-9 {source="ChemIDplus"} xref: Gmelin:10120 {source="Gmelin"} xref: KEGG:C12538 xref: KEGG:D01139 xref: Wikipedia:Ammonium_Chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:47704 ! ammonium salt relationship: has_role CHEBI:173084 ! ferroptosis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl.H4N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH4N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.H3N/h1H;1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLXLAEXVIDQMFP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.49120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.00323" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[H][N+]([H])([H])[H]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl property_value: IAO:0000600 "It is used as food additive under the E number E510, working as a yeast nutrient in breadmaking and as an acidifier. It is a feed supplement for cattle and an ingredient in nutritive media for yeasts and many microorganisms.\n\nAmmonium chloride is used to spice up dark sweets called salmiak (popular in Nordic and other nearby countries),[18] in baking to give cookies a very crisp texture, and in the liquor Salmiakki Koskenkorva for flavouring. In Iran, Tajikistan, India, Pakistan and Arab countries it is called \"Noshader\" and is used to improve the crispness of snacks such as samosas and jalebi. [https://en.wikipedia.org/wiki/Ammonium_chloride]" xsd:string [Term] id: CHEBI:31225 name: antipyrine namespace: chebi_ontology def: "A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2." [] subset: 3_STAR synonym: "1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one" RELATED [ChemIDplus] synonym: "1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-Dimethyl-1-phenyl-5-pyrazolone" RELATED [ChemIDplus] synonym: "Antipyrine" EXACT [KEGG_COMPOUND] synonym: "Antipyrine" EXACT [KEGG_DRUG] synonym: "fenazona" RELATED INN [WHO_MedNet] synonym: "Phenazone" RELATED [KEGG_COMPOUND] synonym: "phenazone" RELATED INN [WHO_MedNet] synonym: "phenazone" RELATED INN [KEGG_DRUG] synonym: "phenazonum" RELATED INN [WHO_MedNet] xref: Beilstein:157775 {source="Beilstein"} xref: CAS:60-80-0 {source="ChemIDplus"} xref: CAS:60-80-0 {source="KEGG COMPOUND"} xref: CAS:60-80-0 {source="NIST Chemistry WebBook"} xref: Drug_Central:861 {source="DrugCentral"} xref: DrugBank:DB01435 xref: HMDB:HMDB0015503 xref: KEGG:C13244 xref: KEGG:D01776 xref: LINCS:LSM-3038 xref: PMID:24345239 {source="Europe PMC"} xref: PMID:25038548 {source="Europe PMC"} xref: PMID:25435228 {source="Europe PMC"} xref: PMID:25631541 {source="Europe PMC"} xref: PMID:26703262 {source="Europe PMC"} xref: PMID:3425858 {source="Europe PMC"} xref: Reaxys:157775 {source="Reaxys"} xref: Wikipedia:Antipyrine is_a: CHEBI:83328 ! pyrazolone relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:73263 ! cyclooxygenase 3 inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEQOALNAAJBPNY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "188.22580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "188.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(=O)n(-c2ccccc2)n1C" xsd:string [Term] id: CHEBI:31328 name: butyl acetate namespace: chebi_ontology def: "The acetate ester of butanol." [] subset: 3_STAR synonym: "1-acetoxybutane" RELATED [NIST_Chemistry_WebBook] synonym: "1-butyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "acetate de butyle" RELATED [ChEBI] synonym: "acetic acid n-butyl ester" RELATED [ChemIDplus] synonym: "acetic acid, butyl ester" RELATED [ChemIDplus] synonym: "Butyl acetate" EXACT [KEGG_COMPOUND] synonym: "butyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "butyl acetate" EXACT [UniProt] synonym: "butyl ester of acetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "butyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Butylacetat" RELATED [ChemIDplus] synonym: "Butylazetat" RELATED [ChEBI] synonym: "CH3COO(CH2)3CH3" RELATED [NIST_Chemistry_WebBook] synonym: "Essigsaeure-n-butylester" RELATED [ChEBI] synonym: "Essigsaeurebutylester" RELATED [ChEBI] synonym: "n-butyl acetate" RELATED [ChemIDplus] synonym: "n-butyl ethanoate" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1741921 {source="ChemIDplus"} xref: CAS:123-86-4 {source="ChemIDplus"} xref: CAS:123-86-4 {source="NIST Chemistry WebBook"} xref: CAS:123-86-4 {source="KEGG COMPOUND"} xref: Gmelin:240398 {source="Gmelin"} xref: KEGG:C12304 xref: PDBeChem:8JZ is_a: CHEBI:47622 ! acetate ester relationship: has_functional_parent CHEBI:28885 ! butan-1-ol relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKPFZGUDAPQIHT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOC(C)=O" xsd:string [Term] id: CHEBI:31341 name: calcium dihydroxide namespace: chebi_ontology subset: 3_STAR synonym: "Ca(OH)2" RELATED [IUPAC] synonym: "calcium dihydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "calcium hydrate" RELATED [NIST_Chemistry_WebBook] synonym: "Calcium hydroxide" RELATED [KEGG_COMPOUND] synonym: "calcium(2+) hydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(II) hydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "geloeschter Kalk" RELATED [ChEBI] synonym: "hydralime" RELATED [ChemIDplus] synonym: "hydrated lime" RELATED [NIST_Chemistry_WebBook] synonym: "Kalziumhydroxid" RELATED [ChEBI] synonym: "Loeschkalk" RELATED [ChEBI] synonym: "slaked lime" RELATED [NIST_Chemistry_WebBook] xref: CAS:1305-62-0 {source="KEGG COMPOUND"} xref: CAS:1305-62-0 {source="NIST Chemistry WebBook"} xref: CAS:1305-62-0 {source="ChemIDplus"} xref: Gmelin:846915 {source="Gmelin"} xref: KEGG:C12277 xref: KEGG:D01083 xref: PPDB:110 is_a: CHEBI:35150 ! calcium hydroxide relationship: has_role CHEBI:74783 ! astringent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaH2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2CaO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AXCZMVOFGPJBDE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.09268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.96807" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[OH-].[OH-].[Ca++]" xsd:string [Term] id: CHEBI:31344 name: calcium oxide def: "A member of the class of calcium oxides of calcium and oxygen in a 1:1 ratio." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, dough conditioner, flour treatment agent. xref: Codex:\:529 xref: Europe:\:529 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3046 is_a: CHEBI:48232 ! calcium oxides is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "calcium oxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:31346 name: calcium sulfate namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): firming agent, flour treatment agent, sequestrant, stabilizer. subset: 3_STAR synonym: "anhydrous gypsum" RELATED [] synonym: "Calcium sulfate" EXACT [] synonym: "calcium sulfate" EXACT [] synonym: "calcium sulfate, anhydrous" RELATED [] synonym: "calcium sulphate" RELATED [] synonym: "CaSO4" RELATED [] synonym: "Kalziumsulfat" RELATED [] xref: CAS:7778-18-9 xref: Codex:\:516 xref: Europe:\:516 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3053 xref: KEGG:C13194 xref: KEGG:D09201 is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:24840 ! inorganic sulfate salt is_a: CHEBI:35156 ! calcium salt is_a: FOODON:03412972 ! food additive property_value: hasSynonym "calcium sulfate" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSGAYBCDTDRGGQ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.14160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.91432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].[O-]S([O-])(=O)=O" xsd:string property_value: IAO:0000118 "calcium sulphate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:31355 name: carboplatin namespace: chebi_ontology alt_id: CHEBI:76407 def: "A platinum coordination entity with cis square-planar geometry in which platinum(II) is coordinated to two ammonia ligands and a bidentate cyclobutane-1,1-dicarboxylate ligand." [] subset: 3_STAR synonym: "(SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum" EXACT IUPAC_NAME [IUPAC] synonym: "Carboplatin" EXACT [KEGG_DRUG] synonym: "carboplatin" RELATED INN [WHO_MedNet] synonym: "carboplatine" RELATED INN [WHO_MedNet] synonym: "carboplatino" RELATED INN [WHO_MedNet] synonym: "carboplatinum" RELATED INN [WHO_MedNet] synonym: "cbdca" RELATED [ChemIDplus] synonym: "cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II)" RELATED [ChemIDplus] synonym: "cis-diammine(1,1-cyclobutanedicarboxylato)platinum" RELATED [ChemIDplus] synonym: "cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II)" RELATED [ChemIDplus] synonym: "Paraplatin" RELATED [ChemIDplus] xref: CAS:41575-94-4 {source="ChemIDplus"} xref: CAS:41575-94-4 {source="KEGG DRUG"} xref: DrugBank:DB00958 xref: Gmelin:1044703 {source="Gmelin"} xref: Gmelin:51428 {source="Gmelin"} xref: HMDB:HMDB0015093 xref: KEGG:D01363 xref: LINCS:LSM-4265 xref: Patent:DE2329485 xref: PDBeChem:QPT xref: PMID:11666286 {source="Europe PMC"} xref: PMID:14568240 {source="Europe PMC"} xref: PMID:15896850 {source="Europe PMC"} xref: PMID:16411667 {source="Europe PMC"} xref: PMID:17180231 {source="Europe PMC"} xref: PMID:17497898 {source="Europe PMC"} xref: PMID:17655933 {source="Europe PMC"} xref: PMID:18336396 {source="Europe PMC"} xref: PMID:1855275 {source="Europe PMC"} xref: PMID:19774597 {source="Europe PMC"} xref: PMID:21629880 {source="Europe PMC"} xref: PMID:22525758 {source="Europe PMC"} xref: PMID:23143236 {source="Europe PMC"} xref: PMID:23275170 {source="Europe PMC"} xref: PMID:23396873 {source="Europe PMC"} xref: PMID:24121332 {source="Europe PMC"} xref: PMID:25195879 {source="Europe PMC"} xref: PMID:25195881 {source="Europe PMC"} xref: PMID:26000441 {source="Europe PMC"} xref: PMID:26239545 {source="Europe PMC"} xref: PMID:26327386 {source="Europe PMC"} xref: PMID:26893290 {source="Europe PMC"} xref: PMID:28511060 {source="Europe PMC"} xref: PMID:29632935 {source="Europe PMC"} xref: PMID:31567140 {source="Europe PMC"} xref: PMID:31930743 {source="Europe PMC"} xref: PMID:32072678 {source="Europe PMC"} xref: PMID:32487607 {source="Europe PMC"} xref: PMID:32579504 {source="Europe PMC"} xref: PMID:33052033 {source="Europe PMC"} xref: PMID:33324858 {source="Europe PMC"} xref: PMID:33542435 {source="Europe PMC"} xref: PMID:33716231 {source="Europe PMC"} xref: PMID:33807309 {source="Europe PMC"} xref: PMID:33814494 {source="Europe PMC"} xref: PMID:33829940 {source="Europe PMC"} xref: PMID:33885718 {source="Europe PMC"} xref: PMID:9654475 {source="Europe PMC"} xref: Reaxys:11327310 {source="Reaxys"} xref: Reaxys:11335262 {source="Reaxys"} xref: Reaxys:15523471 {source="Reaxys"} xref: Wikipedia:Carboplatin is_a: CHEBI:33862 ! platinum coordination entity relationship: has_part CHEBI:35690 ! cyclobutane-1,1-dicarboxylate(2-) relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12N2O4Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O4Pt.2H3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OLESAACUTLOWQZ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "371.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "371.04450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H]" xsd:string [Term] id: CHEBI:31556 name: esatenolol namespace: chebi_ontology def: "The (S)-enantiomer of atenolol." [] subset: 3_STAR synonym: "(-)-Atenolol" RELATED [ChemIDplus] synonym: "(S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide" RELATED [ChemIDplus] synonym: "(S)-Atenolol" RELATED [KEGG_DRUG] synonym: "2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide" RELATED [ChemIDplus] synonym: "2-[4-({(2S)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "esatenolol" RELATED INN [KEGG_DRUG] synonym: "S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide" RELATED [ChemIDplus] xref: Beilstein:4234251 {source="Beilstein"} xref: CAS:93379-54-5 {source="ChemIDplus"} xref: CAS:93379-54-5 {source="KEGG DRUG"} xref: Drug_Central:4702 {source="DrugCentral"} xref: DrugBank:DB00335 xref: KEGG:D01471 xref: LINCS:LSM-5562 is_a: CHEBI:2904 ! atenolol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "METKIMKYRPQLGS-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.33610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.16304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1" xsd:string [Term] id: CHEBI:31575 name: ethylparaben namespace: chebi_ontology alt_id: CHEBI:86616 def: "An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol," [] subset: 3_STAR synonym: "4-hydroxybenzoic acid ethyl ester" RELATED [ChemIDplus] synonym: "E-214" RELATED [ChEBI] synonym: "E214" RELATED [ChEBI] synonym: "ethyl 4-hydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl p-hydroxybenzoate" RELATED [ChemIDplus] synonym: "ethyl paraben" RELATED [ChemIDplus] synonym: "Ethyl parahydroxybenzoate" RELATED [KEGG_DRUG] synonym: "p-hydroxybenzoic acid ethyl ester" RELATED [ChemIDplus] synonym: "p-Oxybenzoesaeureaethylester" RELATED [ChemIDplus] xref: CAS:120-47-8 {source="KEGG DRUG"} xref: CAS:120-47-8 {source="ChemIDplus"} xref: CAS:120-47-8 {source="NIST Chemistry WebBook"} xref: Drug_Central:4773 {source="DrugCentral"} xref: HMDB:HMDB0032573 xref: KEGG:D01647 xref: KNApSAcK:C00033837 xref: PDBeChem:E4B xref: PMID:26901724 {source="Europe PMC"} xref: PMID:27106519 {source="Europe PMC"} xref: PMID:27377865 {source="Europe PMC"} xref: Reaxys:1101972 {source="Reaxys"} xref: Wikipedia:Ethylparaben is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:85122 ! paraben relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:65256 ! antimicrobial food preservative relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76989 ! phytoestrogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUVBSKCKDOMJSU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.174" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(C1=CC=C(C=C1)O)OCC" xsd:string [Term] id: CHEBI:31577 name: ethylenediamine derivative namespace: chebi_ontology def: "Any organic amino compound that is a derivative of ethylenediamine." [] subset: 3_STAR synonym: "ethylenediamine derivatives" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound relationship: has_functional_parent CHEBI:30347 ! ethylenediamine [Term] id: CHEBI:31701 name: iobitridol namespace: chebi_ontology def: "A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5." [] subset: 3_STAR synonym: "N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide" RELATED [ChemIDplus] synonym: "N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:136949-58-1 {source="ChemIDplus"} xref: Drug_Central:1449 {source="DrugCentral"} xref: KEGG:D01181 xref: PMID:23341290 {source="Europe PMC"} xref: PMID:24531005 {source="Europe PMC"} xref: PMID:25238643 {source="Europe PMC"} xref: Reaxys:8178996 {source="Reaxys"} xref: Wikipedia:Iobitridol is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:37206 ! hexol is_a: CHEBI:38800 ! benzenedicarboxamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28I3N3O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YLPBXIKWXNRACS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "835.16440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "834.89596" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I" xsd:string [Term] id: CHEBI:31709 name: iohexol namespace: chebi_ontology def: "A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position." [] subset: 3_STAR synonym: "5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "iohexol" RELATED INN [KEGG_DRUG] synonym: "iohexolum" RELATED INN [ChemIDplus] synonym: "N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide" RELATED [ChemIDplus] xref: Beilstein:2406632 {source="Beilstein"} xref: CAS:66108-95-0 {source="ChemIDplus"} xref: CAS:66108-95-0 {source="KEGG DRUG"} xref: Drug_Central:1461 {source="DrugCentral"} xref: KEGG:D01817 xref: LINCS:LSM-5095 xref: PMID:15206581 {source="Europe PMC"} xref: PMID:19359533 {source="Europe PMC"} xref: PMID:23847035 {source="Europe PMC"} xref: PMID:24516530 {source="Europe PMC"} xref: PMID:24752695 {source="Europe PMC"} xref: Reaxys:2406632 {source="Reaxys"} xref: Wikipedia:Iohexol is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:38800 ! benzenedicarboxamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H26I3N3O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTHXOOBQLCIOLC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "821.13790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "820.88031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I" xsd:string [Term] id: CHEBI:31710 name: iomeprol namespace: chebi_ontology def: "A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a glycoloyl(methyl)amino group at the 5-position." [] subset: 3_STAR synonym: "iomeprol" RELATED INN [KEGG_DRUG] synonym: "iomeprolum" RELATED INN [ChemIDplus] synonym: "N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(N-methylglycolamido)isophthalamide" RELATED [ChemIDplus] synonym: "N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8177227 {source="Beilstein"} xref: CAS:78649-41-9 {source="ChemIDplus"} xref: CAS:78649-41-9 {source="KEGG DRUG"} xref: Drug_Central:1463 {source="DrugCentral"} xref: KEGG:D01719 xref: PMID:15206581 {source="Europe PMC"} xref: Reaxys:8177227 {source="Reaxys"} xref: Wikipedia:Iomeprol is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:38800 ! benzenedicarboxamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H22I3N3O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NJKDOADNQSYQEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "777.08530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.85410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I" xsd:string [Term] id: CHEBI:31711 name: iopamidol namespace: chebi_ontology alt_id: CHEBI:75986 def: "A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position." [] subset: 3_STAR synonym: "(S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide" RELATED [ChemIDplus] synonym: "iopamidol" RELATED INN [WHO_MedNet] synonym: "iopamidol" RELATED INN [ChemIDplus] synonym: "iopamidolum" RELATED INN [ChemIDplus] synonym: "L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide" RELATED [ChemIDplus] synonym: "L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide)" RELATED [ChemIDplus] synonym: "N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6250226 {source="Beilstein"} xref: CAS:60166-93-0 {source="ChemIDplus"} xref: CAS:60166-93-0 {source="KEGG DRUG"} xref: Drug_Central:1464 {source="DrugCentral"} xref: KEGG:D01797 xref: LINCS:LSM-5833 xref: PMID:15206581 {source="Europe PMC"} xref: PMID:23359781 {source="Europe PMC"} xref: PMID:23518934 {source="Europe PMC"} xref: PMID:23608563 {source="Europe PMC"} xref: PMID:24060817 {source="Europe PMC"} xref: PMID:24091357 {source="Europe PMC"} xref: PMID:24570337 {source="Europe PMC"} xref: Reaxys:6250226 {source="Reaxys"} xref: Wikipedia:Iopamidol is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:37205 ! pentol is_a: CHEBI:38800 ! benzenedicarboxamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H22I3N3O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XQZXYNRDCRIARQ-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "777.08530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.85410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I" xsd:string [Term] id: CHEBI:31725 name: isoamyl acetate namespace: chebi_ontology def: "The acetate ester of isoamylol." [] subset: 3_STAR synonym: "3-methyl-1-butanol acetate" RELATED [NIST_Chemistry_WebBook] synonym: "3-methyl-1-butyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "3-methyl-but-1-yl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "3-methylbutyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "3-methylbutyl acetate" RELATED [UniProt] synonym: "3-methylbutyl ethanoate" RELATED [ChemIDplus] synonym: "acetate d'isoamyle" RELATED [ChEBI] synonym: "acetate d'isopentyle" RELATED [ChEBI] synonym: "acetate de 3-methylbutyle" RELATED [ChEBI] synonym: "acetic acid, 3-methylbutyl ester" RELATED [ChemIDplus] synonym: "acetic acid, isopentyl ester" RELATED [ChemIDplus] synonym: "amylacetic ester" RELATED [ChemIDplus] synonym: "beta-methyl butyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "CH3C(O)O(CH2)2CH(CH3)2" RELATED [NIST_Chemistry_WebBook] synonym: "i-amyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "Isoamyl acetate" EXACT [KEGG_COMPOUND] synonym: "isoamyl ethanoate" RELATED [ChemIDplus] synonym: "Isoamylacetat" RELATED [ChEBI] synonym: "Isoamylazetat" RELATED [ChEBI] synonym: "isopentyl acetate" RELATED [ChemIDplus] synonym: "isopentyl ethanoate" RELATED [ChemIDplus] xref: Beilstein:1744750 {source="ChemIDplus"} xref: CAS:123-92-2 {source="ChemIDplus"} xref: CAS:123-92-2 {source="NIST Chemistry WebBook"} xref: CAS:123-92-2 {source="KEGG COMPOUND"} xref: Gmelin:101452 {source="Gmelin"} xref: KEGG:C12296 xref: PMID:15491859 {source="Europe PMC"} xref: PMID:25626919 {source="Europe PMC"} xref: Reaxys:1744750 {source="Reaxys"} is_a: CHEBI:47622 ! acetate ester relationship: has_functional_parent CHEBI:15837 ! isoamylol relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MLFHJEHSLIIPHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.18486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCOC(C)=O" xsd:string [Term] id: CHEBI:31746 name: kainic acid namespace: chebi_ontology subset: 3_STAR synonym: "(2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid" RELATED [ChemIDplus] synonym: "(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline" EXACT IUPAC_NAME [IUPAC] synonym: "acide kainique" RELATED INN [ChemIDplus] synonym: "acido kainico" RELATED INN [ChemIDplus] synonym: "acidum kainicum" RELATED INN [ChemIDplus] synonym: "alpha- Kainic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-Kainic acid" RELATED [KEGG_COMPOUND] synonym: "digenic acid" RELATED [ChemIDplus] synonym: "Digenin" RELATED [ChemIDplus] synonym: "Digensaeure" RELATED [ChEBI] synonym: "Helminal" RELATED [ChemIDplus] synonym: "Kainic acid" EXACT [KEGG_COMPOUND] synonym: "kainic acid" RELATED INN [ChemIDplus] synonym: "Kainsaeure" RELATED [ChEBI] synonym: "L-alpha-kainic acid" RELATED [ChemIDplus] xref: Beilstein:86660 {source="Beilstein"} xref: CAS:487-79-6 {source="KEGG COMPOUND"} xref: CAS:487-79-6 {source="ChemIDplus"} xref: Drug_Central:3201 {source="DrugCentral"} xref: KEGG:C12819 xref: Patent:GB795750 xref: Patent:US2902492 xref: Patent:US2954384 xref: PDBeChem:KAI is_a: CHEBI:35692 ! dicarboxylic acid is_a: CHEBI:46767 ! pyrrolidinecarboxylic acid is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid is_a: CHEBI:84186 ! L-proline derivative relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:50103 ! excitatory amino acid agonist relationship: is_conjugate_acid_of CHEBI:156548 ! kainate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLSMHEGGTFMBBZ-OOZYFLPDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.23040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.10011" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:3177 name: bromacil namespace: chebi_ontology def: "A racemate consisting of equimolar concentrations of (R)- and (S)-bromacil." [] subset: 3_STAR synonym: "(RS)-5-bromo-3-sec-butyl-6-methyluracil" RELATED [Alan_Wood's_Pesticides] synonym: "5-bromo-6-methyl-3-(1-methyl-N-propyl)" RELATED [ChEBI] synonym: "5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "bromazil" RELATED [ChemIDplus] synonym: "rac-5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] xref: CAS:314-40-9 {source="KEGG COMPOUND"} xref: CAS:314-40-9 {source="NIST Chemistry WebBook"} xref: CAS:314-40-9 {source="ChemIDplus"} xref: KEGG:C10911 xref: Patent:CN101597265 xref: Pesticides:bromacil {source="Alan Wood's Pesticides"} xref: PMID:19906401 {source="Europe PMC"} xref: PMID:21953966 {source="Europe PMC"} xref: PMID:25163558 {source="Europe PMC"} xref: Reaxys:647896 {source="Reaxys"} xref: Wikipedia:Bromacil is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83659 ! (R)-bromacil relationship: has_part CHEBI:83660 ! (S)-bromacil relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:31794 name: magnesium oxide comment: LanguaL term definition: Food additive; technological purpose(s): anticaking agent. xref: Codex:\:530 xref: Europe:\:530 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3141 is_a: CHEBI:25108 ! magnesium molecular entity is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "magnesium oxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:31835 name: methylparaben def: "A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. xref: Codex:\:218 xref: Europe:\:218 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3151 is_a: CHEBI:85122 ! paraben is_a: FOODON:03412972 ! food additive property_value: hasSynonym "methyl para-hydroxybenzoate" xsd:string property_value: IAO:0000118 "methyl p-hydroxybenzoate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3193 name: brucine namespace: chebi_ontology subset: 2_STAR synonym: "Brucine" EXACT [KEGG_COMPOUND] xref: CAS:357-57-3 {source="KEGG COMPOUND"} xref: KEGG:C09084 xref: KNApSAcK:C00001695 xref: LINCS:LSM-5758 xref: PPDB:3151 is_a: CHEBI:52157 ! organic heteroheptacyclic compound is_a: CHEBI:65323 ! monoterpenoid indole alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H26N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRKTZKIUPZVBMF-IBTVXLQLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "394.464" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC" xsd:string [Term] id: CHEBI:32028 name: poly(vinyl acetate) namespace: chebi_ontology def: "A polymer composed of repeating acetoxyethylene units." [] subset: 3_STAR synonym: "Ethenyl acetate homopolymer" RELATED [ChemIDplus] synonym: "poly(1-acetoxyethylene)" EXACT IUPAC_NAME [IUPAC] synonym: "poly(vinyl acetate)" EXACT IUPAC_NAME [IUPAC] synonym: "Poly(vinylacetate)" RELATED [ChemIDplus] synonym: "Polyvinyl acetate" RELATED [KEGG_COMPOUND] synonym: "PVAc" RELATED [ChEBI] synonym: "Vinyl acetate polymer" RELATED [ChemIDplus] xref: Beilstein:8192148 {source="Beilstein"} xref: Beilstein:8757101 {source="Beilstein"} xref: CAS:9003-20-7 {source="KEGG COMPOUND"} xref: CAS:9003-20-7 {source="NIST Chemistry WebBook"} xref: CAS:9003-20-7 {source="ChemIDplus"} xref: KEGG:C12282 is_a: CHEBI:53242 ! vinyl polymer macromolecule property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C4H6O2)n" xsd:string [Term] id: CHEBI:32035 name: potassium hydroxide comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator. xref: Codex:\:525 xref: Europe:\:525 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3212 is_a: CHEBI:33978 ! alkali metal hydroxide is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "potassium hydroxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32063 name: propylparaben def: "The benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. xref: Codex:\:216 xref: Europe:\:216 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3229 is_a: CHEBI:85122 ! paraben is_a: FOODON:03412972 ! food additive property_value: hasSynonym "propyl para-hydroxybenzoate" xsd:string property_value: IAO:0000118 "propyl p-hydroxybenzoate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32111 name: saccharin namespace: chebi_ontology alt_id: CHEBI:49717 def: "A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent." [] comment: LanguaL term definition: Food additive. subset: 3_STAR synonym: "1,1-Dioxo-1,2-benzisothiazol-3(2H)-one" RELATED [NIST_Chemistry_WebBook] synonym: "1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Benzisothiazol-3(2H)-one 1,1-dioxide" RELATED [ChemIDplus] synonym: "1,2-benzisothiazol-3(2H)-one 1,1-dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "1,2-Benzisothiazolin-3-one 1,1-dioxide" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dihydro-2-ketobenzisosulfonazole" RELATED [ChemIDplus] synonym: "1,2-Dihydro-2-ketobenzisosulphonazole" RELATED [ChemIDplus] synonym: "2,3-Dihydro-3-oxobenzisosulfonazole" RELATED [ChemIDplus] synonym: "2,3-Dihydro-3-oxobenzisosulphonazole" RELATED [ChemIDplus] synonym: "3-Hydroxybenzisothiazole-S,S-dioxide" RELATED [ChemIDplus] synonym: "Anhydro-o-sulfaminebenzoic acid" RELATED [ChemIDplus] synonym: "Benzo-2-sulphimide" RELATED [ChemIDplus] synonym: "Benzoic acid sulfimide" RELATED [ChemIDplus] synonym: "Benzoic sulfimide" RELATED [ChemIDplus] synonym: "Benzoic sulphimide" RELATED [ChemIDplus] synonym: "Benzosulfimide" RELATED [ChemIDplus] synonym: "Benzosulphimide" RELATED [ChemIDplus] synonym: "Benzoylsulfonic Imide" RELATED [ChemIDplus] synonym: "o-Benzoic sulfimide" RELATED [ChemIDplus] synonym: "o-Benzosulfimide" RELATED [ChemIDplus] synonym: "o-Sulfobenzimide" RELATED [ChemIDplus] synonym: "o-Sulfobenzoic acid imide" RELATED [ChemIDplus] synonym: "Saccharimide" RELATED [ChemIDplus] synonym: "Saccharin" EXACT [KEGG_DRUG] synonym: "Saccharine" RELATED [ChemIDplus] xref: Beilstein:6888 "Beilstein" xref: Beilstein:6888 {source="Beilstein"} xref: CAS:81-07-2 "KEGG DRUG" xref: CAS:81-07-2 {source="NIST Chemistry WebBook"} xref: CAS:81-07-2 {source="KEGG DRUG"} xref: CAS:81-07-2 {source="ChemIDplus"} xref: Codex:\:954(i) xref: Europe:\:954 xref: Gmelin:4203 "Gmelin" xref: Gmelin:4203 {source="Gmelin"} xref: HMDB:HMDB0029723 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3235 xref: KEGG:D01085 xref: MetaCyc:CPD-5581 xref: PDBeChem:LSA xref: PMID:24456165 "Europe PMC" xref: PMID:24456165 {source="Europe PMC"} xref: PMID:24549104 "Europe PMC" xref: PMID:24549104 {source="Europe PMC"} xref: PMID:24739358 "Europe PMC" xref: PMID:24739358 {source="Europe PMC"} xref: PMID:24780866 "Europe PMC" xref: PMID:24780866 {source="Europe PMC"} xref: Reaxys:6888 {source="Reaxys"} xref: Reaxys:6888 "Reaxys" xref: Wikipedia:Saccharin is_a: CHEBI:55505 ! 1,2-benzisothiazole is_a: CHEBI:90852 ! N-sulfonylcarboxamide is_a: FOODON:03315027 ! sweetener (nonnutritive) relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CVHZOJJKTDOEJC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.18500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.99901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1NS(=O)(=O)c2ccccc12" xsd:string property_value: IAO:0000118 "saccharin" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32145 name: sodium hydroxide namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator. subset: 3_STAR synonym: "Aetznatron" RELATED [] synonym: "caustic soda" RELATED [] synonym: "hydroxyde de sodium" RELATED [] synonym: "NaOH" RELATED [] synonym: "Natriumhydroxid" RELATED [] synonym: "soda lye" RELATED [] synonym: "sodium hydrate" RELATED [] synonym: "Sodium hydroxide" EXACT [] synonym: "sodium hydroxide" EXACT [] synonym: "soude caustique" RELATED [] xref: CAS:1310-73-2 xref: Codex:\:524 xref: Europe:\:524 xref: Gmelin:68430 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3260 xref: KEGG:C12569 xref: KEGG:D01169 is_a: CHEBI:33978 ! alkali metal hydroxide is_a: CHEBI:38702 ! inorganic sodium salt is_a: FOODON:03412972 ! food additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNaO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na.H2O/h;1H2/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEMHJVSKTPXQMS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.99711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99251" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[OH-].[Na+]" xsd:string property_value: IAO:0000118 "sodium hydroxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32146 name: sodium hypochlorite namespace: chebi_ontology def: "An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach." [] subset: 3_STAR synonym: "Hypochlorite sodium" RELATED [ChemIDplus] synonym: "Hypochlorous acid, sodium salt" RELATED [ChemIDplus] synonym: "NaClO" RELATED [ChemIDplus] synonym: "NaOCl" RELATED [ChemIDplus] synonym: "sodium hypochlorite" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium oxychloride" RELATED [ChemIDplus] synonym: "Texant" RELATED BRAND_NAME [KEGG_DRUG] xref: AGR:IND606841968 {source="Europe PMC"} xref: CAS:7681-52-9 {source="ChemIDplus"} xref: CAS:7681-52-9 {source="NIST Chemistry WebBook"} xref: DrugBank:DBSALT001517 xref: FooDB:FDB015395 xref: KEGG:D01711 xref: PMID:19707590 {source="Europe PMC"} xref: PMID:23011474 {source="Europe PMC"} xref: PMID:23355285 {source="Europe PMC"} xref: PMID:23701220 {source="Europe PMC"} xref: PMID:23710836 {source="Europe PMC"} xref: PMID:23892500 {source="Europe PMC"} xref: PMID:24308707 {source="Europe PMC"} xref: PMID:24331991 {source="Europe PMC"} xref: PMID:24417739 {source="Europe PMC"} xref: PMID:24554854 {source="Europe PMC"} xref: PMID:24554863 {source="Europe PMC"} xref: PMID:24701613 {source="Europe PMC"} xref: PMID:24717113 {source="Europe PMC"} xref: PMID:24784510 {source="Europe PMC"} xref: PMID:24862721 {source="Europe PMC"} xref: PMID:30689457 {source="Europe PMC"} xref: PMID:32336370 {source="Europe PMC"} xref: PMID:32414067 {source="Europe PMC"} xref: PPDB:1493 xref: Reaxys:11342986 {source="Reaxys"} xref: Wikipedia:Sodium_hypochlorite is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:29222 ! hypochlorite relationship: has_role CHEBI:132717 ! bleaching agent relationship: has_role CHEBI:48219 ! disinfectant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNaO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClO.Na/c1-2;/q-1;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SUKJFIGYRHOWBL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.44200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.95354" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-]Cl" xsd:string [Term] id: CHEBI:32149 name: sodium sulfate namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator. subset: 3_STAR synonym: "disodium sulfate" RELATED [] synonym: "disodium sulphate" RELATED [] synonym: "Na2SO4" RELATED [] synonym: "Natriumsulfat" RELATED [] synonym: "salt cake" RELATED [] synonym: "Sodium sulfate" EXACT [] synonym: "sodium sulfate" EXACT [] synonym: "sodium sulfate, anhydrous" RELATED [] synonym: "sodium sulphate" RELATED [] xref: CAS:7757-82-6 xref: Codex:\:514(i) xref: Europe:\:514 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3275 xref: KEGG:C13199 xref: KEGG:D01732 is_a: CHEBI:24840 ! inorganic sulfate salt is_a: CHEBI:38702 ! inorganic sodium salt is_a: FOODON:03412972 ! food additive property_value: hasSynonym "sodium sulfate" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S.2Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMZURENOXWZQFD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.04314" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.93127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-]S([O-])(=O)=O" xsd:string property_value: IAO:0000118 "sodium sulphate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32159 name: sucralose def: "A disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond." [] comment: LanguaL term definition: Food additive; technological purpose(s): sweetener.\n\n\nSucralose is an artificial sweetener. The majority of ingested sucralose is not broken down by the body and therefore it is non-caloric. In the European Union, it is also known under the E number (additive code) E955. Sucralose is approximately 600 times as sweet as sucrose (table sugar), twice as sweet as saccharin, and 3 times as sweet as aspartame. xref: Codex:\:955 xref: Europe:\:955 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4430 is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:63353 ! disaccharide derivative is_a: FOODON:03412972 ! food additive property_value: hasSynonym "sucralose (trichlorogalactosucrose)" xsd:string property_value: IAO:0000118 "sucralose" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32161 name: sulfadimethoxine namespace: chebi_ontology def: "A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position." [] subset: 3_STAR synonym: "2,4-dimethoxy-6-sulfanilamido-1,3-diazine" RELATED [ChemIDplus] synonym: "2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine" RELATED [ChemIDplus] synonym: "2,6-dimethoxy-4-sulfanilamidopyrimidine" RELATED [ChemIDplus] synonym: "4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide" RELATED [ChemIDplus] synonym: "4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "6-sulfanilamido-2,4-dimethoxypyrimidine" RELATED [ChemIDplus] synonym: "Abcid (TN)" RELATED [KEGG_DRUG] synonym: "Agribon (TN)" RELATED [KEGG_DRUG] synonym: "N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide" RELATED [ChemIDplus] synonym: "Sulfadimethoxine" EXACT [KEGG_DRUG] synonym: "sulfadimethoxinum" RELATED INN [ChemIDplus] synonym: "Sulfadimethoxydiazine" RELATED [ChemIDplus] synonym: "sulfadimetoxina" RELATED INN [ChemIDplus] synonym: "Sulphadimethoxine" RELATED [ChemIDplus] xref: Beilstein:306856 {source="Beilstein"} xref: CAS:122-11-2 {source="ChemIDplus"} xref: CAS:122-11-2 {source="KEGG DRUG"} xref: Drug_Central:2501 {source="DrugCentral"} xref: DrugBank:DB06150 xref: Gmelin:677830 {source="Gmelin"} xref: HMDB:HMDB0015621 xref: KEGG:D01142 xref: LINCS:LSM-5790 xref: PMID:11431418 {source="Europe PMC"} xref: PMID:12038137 {source="Europe PMC"} xref: PMID:13831481 {source="Europe PMC"} xref: PMID:13840927 {source="Europe PMC"} xref: PMID:14435331 {source="Europe PMC"} xref: PMID:14437387 {source="Europe PMC"} xref: PMID:16001847 {source="Europe PMC"} xref: PMID:16390193 {source="Europe PMC"} xref: PMID:18574183 {source="Europe PMC"} xref: PMID:19927815 {source="Europe PMC"} xref: Reaxys:306856 {source="Reaxys"} xref: VSDB:1833 xref: Wikipedia:Sulfadimethoxine is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14N4O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZZORFUFYDOWNEF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.33012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.07358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1" xsd:string [Term] id: CHEBI:32178 name: Talc namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): anticaking agent, coating agent, dusting agent, surface-finishing agent, texturizing agent. subset: 2_STAR synonym: "Talc" EXACT [KEGG_COMPOUND] xref: CAS:14807-96-6 {source="KEGG COMPOUND"} xref: Codex:\:553(iii) xref: Europe:\:553b xref: http://www.langual.org/langual_thesaurus.asp?termid=B3298 xref: KEGG:C12281 xref: KEGG:C19292 xref: KEGG:D01084 is_a: CHEBI:50860 ! organic molecular entity is_a: FOODON:03412972 ! food additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "3Mg.4O3Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "377.250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.80181" xsd:string property_value: IAO:0000118 "talc" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3219 name: bupropion namespace: chebi_ontology def: "An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring." [] subset: 3_STAR synonym: "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "Bupropion" EXACT [KEGG_COMPOUND] xref: Beilstein:2101062 {source="ChemIDplus"} xref: CAS:34841-39-9 {source="KEGG COMPOUND"} xref: CAS:34911-55-2 {source="ChemIDplus"} xref: Drug_Central:435 {source="DrugCentral"} xref: DrugBank:DB01156 xref: HMDB:HMDB0001510 xref: KEGG:C06860 xref: KEGG:D07591 xref: LINCS:LSM-1267 xref: MetaCyc:CPD-3481 xref: PMID:12826985 {source="Europe PMC"} xref: PMID:15876900 {source="Europe PMC"} xref: Reaxys:2101062 {source="Reaxys"} xref: Wikipedia:Bupropion is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:76224 ! aromatic ketone is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNPPWIUOZRMYNY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.74086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.10769" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1" xsd:string [Term] id: CHEBI:32234 name: titanium dioxide namespace: chebi_ontology def: "A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications." [] comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR synonym: "[TiO2]" RELATED [MolBase] synonym: "bis(oxido)titanium" EXACT IUPAC_NAME [IUPAC] synonym: "dioxido de titanio" RELATED [ChEBI] synonym: "dioxyde de titane" RELATED [ChEBI] synonym: "E 171" RELATED [ChEBI] synonym: "oxido de titanio(IV)" RELATED [ChEBI] synonym: "TiO2" RELATED [IUPAC] synonym: "Titandioxid" RELATED [ChemIDplus] synonym: "titania" RELATED [ChemIDplus] synonym: "Titanium dioxide" EXACT [KEGG_COMPOUND] synonym: "titanium dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "Titanium oxide" RELATED [KEGG_COMPOUND] synonym: "titanium(IV) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "titanium(IV) oxide" RELATED [ChemIDplus] xref: CAS:13463-67-7 {source="ChemIDplus"} xref: CAS:13463-67-7 {source="NIST Chemistry WebBook"} xref: CAS:13463-67-7 {source="KEGG COMPOUND"} xref: Codex:\:171 xref: Drug_Central:4237 {source="DrugCentral"} xref: Europe:\:171 xref: Gmelin:833511 {source="Gmelin"} xref: Gmelin:9354 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B3308 xref: KEGG:C13409 xref: KEGG:D01931 xref: MolBase:272 xref: PMID:29079364 {source="Europe PMC"} xref: PPDB:1311 xref: Wikipedia:Titanium_Dioxide is_a: CHEBI:134438 ! titanium oxides is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:77182 ! food colouring property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2O.Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWEVSGVZZGPLCZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.86580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.93777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Ti]=O" xsd:string property_value: IAO:0000118 "titanium dioxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32354 name: 4-hydroxybenzenesulfonic acid namespace: chebi_ontology def: "An arenesulfonic acid that is phenol substituted by a sulfo group at C-4." [] subset: 3_STAR synonym: "4-Sulfophenol" RELATED [KEGG_COMPOUND] synonym: "Hydroxybenzene-4-sulfonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-Hydroxybenzenesulfonic acid" RELATED [KEGG_COMPOUND] synonym: "p-hydroxybenzenesulfonic acid" RELATED [ChEBI] synonym: "p-Phenolsulfonic acid" RELATED [KEGG_COMPOUND] synonym: "p-Sulfophenol" RELATED [NIST_Chemistry_WebBook] synonym: "Phenolsulfonic acid" RELATED [KEGG_COMPOUND] synonym: "Sulfocarbolic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1869034 {source="Beilstein"} xref: CAS:98-67-9 {source="KEGG COMPOUND"} xref: CAS:98-67-9 {source="NIST Chemistry WebBook"} xref: CAS:98-67-9 {source="ChemIDplus"} xref: KEGG:C12849 xref: KEGG:D01403 xref: Reaxys:1869034 {source="Reaxys"} is_a: CHEBI:33555 ! arenesulfonic acid relationship: has_functional_parent CHEBI:15882 ! phenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FEPBITJSIHRMRT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.17544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.99868" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)S(O)(=O)=O" xsd:string [Term] id: CHEBI:32361 name: nonanoate namespace: chebi_ontology def: "A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity." [] subset: 3_STAR synonym: "1-nonanoate" RELATED [ChEBI] synonym: "1-octanecarboxylate" RELATED [ChEBI] synonym: "CH3-[CH2]7-COO(-)" RELATED [IUPAC] synonym: "n-nonanoate" RELATED [ChEBI] synonym: "nonanoate" EXACT [UniProt] synonym: "nonanoate" EXACT IUPAC_NAME [IUPAC] synonym: "nonoate" RELATED [ChEBI] synonym: "nonylate" RELATED [ChEBI] synonym: "pelargate" RELATED [ChEBI] synonym: "pelargonate" RELATED [ChEBI] synonym: "pergonate" RELATED [ChEBI] xref: Beilstein:3904165 {source="Beilstein"} xref: Gmelin:329987 {source="Gmelin"} is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:29019 ! nonanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBUKVWPVBMHYJY-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "157.23060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.12340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:32362 name: heptanoate namespace: chebi_ontology def: "A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates." [] subset: 3_STAR synonym: "(7:0)" RELATED [ChEBI] synonym: "1-hexanecarboxylate" RELATED [ChEBI] synonym: "CH3-[CH2]5-COO(-)" RELATED [IUPAC] synonym: "enanthate" RELATED [ChEBI] synonym: "enanthylate" RELATED [ChEBI] synonym: "heptanoate" EXACT [UniProt] synonym: "heptanoate" EXACT IUPAC_NAME [IUPAC] synonym: "heptanoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "heptoate" RELATED [ChEBI] synonym: "heptylate" RELATED [ChEBI] synonym: "n-heptanoate" RELATED [ChEBI] synonym: "n-heptoate" RELATED [ChEBI] synonym: "n-heptylate" RELATED [ChEBI] synonym: "oenanthate" RELATED [ChEBI] synonym: "oenanthylate" RELATED [ChEBI] xref: Beilstein:3903940 {source="Beilstein"} xref: CAS:7563-37-3 {source="ChemIDplus"} xref: Gmelin:327115 {source="Gmelin"} xref: MetaCyc:CPD-7619 xref: PMID:16141384 {source="Europe PMC"} xref: Reaxys:3903940 {source="Reaxys"} is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:45571 ! heptanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H13O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MNWFXJYAOYHMED-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.17692" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.09210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:32368 name: undecanoic acid namespace: chebi_ontology def: "A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series." [] subset: 3_STAR synonym: "1-decanecarboxylic acid" RELATED [ChEBI] synonym: "CH3-[CH2]9-COOH" RELATED [IUPAC] synonym: "Hendecanoic acid" RELATED [KEGG_COMPOUND] synonym: "hendecanoic acid" RELATED [ChEBI] synonym: "n-undecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-undecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-undecylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "UDA" RELATED [ChEBI] synonym: "undecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "undecoic acid" RELATED [ChEBI] synonym: "undecylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Undekansaeure" RELATED [ChEBI] xref: Beilstein:1759287 {source="Beilstein"} xref: CAS:112-37-8 {source="NIST Chemistry WebBook"} xref: CAS:112-37-8 {source="KEGG COMPOUND"} xref: CAS:112-37-8 {source="ChemIDplus"} xref: Gmelin:102992 {source="Gmelin"} xref: HMDB:HMDB0000947 xref: KEGG:C17715 xref: LIPID_MAPS_instance:LMFA01010011 {source="LIPID MAPS"} xref: PDBeChem:11A xref: PMID:16332663 {source="Europe PMC"} xref: PMID:1739406 {source="Europe PMC"} xref: PMID:18516670 {source="Europe PMC"} xref: Reaxys:1759287 {source="Reaxys"} xref: Wikipedia:Undecylic_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_parent_hydride CHEBI:46342 ! undecane relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:32369 ! undecanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H22O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDPHROOEEOARMN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.29120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.16198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:32369 name: undecanoate namespace: chebi_ontology def: "A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3." [] subset: 3_STAR synonym: "1-decanecarboxylate" RELATED [ChEBI] synonym: "CH3-[CH2]9-COO(-)" RELATED [IUPAC] synonym: "hendecanoate" RELATED [ChEBI] synonym: "n-undecanoate" RELATED [ChEBI] synonym: "n-undecoate" RELATED [ChEBI] synonym: "n-undecylate" RELATED [ChEBI] synonym: "undecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "undecanoate" EXACT [UniProt] synonym: "undecoate" RELATED [ChEBI] synonym: "undecylate" RELATED [ChEBI] xref: Beilstein:3904444 {source="Beilstein"} xref: Gmelin:331364 {source="Gmelin"} xref: PMID:1619029 {source="Europe PMC"} xref: PMID:18852533 {source="Europe PMC"} xref: PMID:7711892 {source="Europe PMC"} is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:32368 ! undecanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H21O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDPHROOEEOARMN-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "185.28324" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.15470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCC([O-])=O" xsd:string [Term] id: CHEBI:32395 name: arachidonate namespace: chebi_ontology alt_id: CHEBI:13852 alt_id: CHEBI:22607 def: "A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid." [] subset: 3_STAR synonym: "(20:4n6)" RELATED [ChEBI] synonym: "(5Z,8Z,11Z,14Z)-eicosatetraenoate" RELATED [UniProt] synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5439048 {source="Beilstein"} xref: Gmelin:419207 {source="Gmelin"} xref: MetaCyc:ARACHIDONIC_ACID xref: PMID:18772128 {source="Europe PMC"} is_a: CHEBI:62920 ! icosatetraenoate is_a: CHEBI:62937 ! icosanoid anion relationship: has_functional_parent CHEBI:146291 ! 11-HPETE(1-) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15843 ! arachidonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZXBAPSDXZZRGB-DOFZRALJSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.45894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.23295" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC([O-])=O" xsd:string [Term] id: CHEBI:32402 name: catecholate(2-) namespace: chebi_ontology def: "A phenolate anion that is the conjugate base of catecholate(1-)." [] subset: 3_STAR synonym: "benzene-1,2-diolate" EXACT IUPAC_NAME [IUPAC] synonym: "cat" RELATED [IUPAC] synonym: "catecholate" RELATED [IUPAC] xref: Beilstein:3904566 {source="Beilstein"} xref: Gmelin:325876 {source="Gmelin"} xref: Reaxys:3904566 {source="Reaxys"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:50524 ! catecholate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCIMNLLNPGFGHC-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.09476" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.02223" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1ccccc1[O-]" xsd:string [Term] id: CHEBI:32431 name: L-alaninate namespace: chebi_ontology def: "The L-enantiomer of alaninate." [] subset: 3_STAR synonym: "(2S)-2-aminopropanoate" RELATED [IUPAC] synonym: "L-alaninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-alanine anion" RELATED [JCBN] xref: Beilstein:4126899 {source="Beilstein"} xref: Gmelin:324350 {source="Gmelin"} is_a: CHEBI:32439 ! alaninate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16977 ! L-alanine relationship: is_enantiomer_of CHEBI:32435 ! D-alaninate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-REOHCLBHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.08528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32432 name: L-alaninium namespace: chebi_ontology def: "The L-enantiomer of alaninium." [] subset: 3_STAR synonym: "(1S)-1-carboxyethanaminium" RELATED [IUPAC] synonym: "L-alanine cation" RELATED [JCBN] synonym: "L-alaninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:362664 {source="Gmelin"} is_a: CHEBI:32440 ! alaninium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16977 ! L-alanine relationship: is_enantiomer_of CHEBI:32436 ! D-alaninium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-REOHCLBHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.10116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.05495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32435 name: D-alaninate namespace: chebi_ontology def: "The D-enantiomer of alaninate." [] subset: 3_STAR synonym: "(2R)-2-aminopropanoate" RELATED [IUPAC] synonym: "D-alaninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-alanine anion" RELATED [JCBN] xref: Beilstein:4781244 {source="Beilstein"} xref: Gmelin:745914 {source="Gmelin"} is_a: CHEBI:32439 ! alaninate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15570 ! D-alanine relationship: is_enantiomer_of CHEBI:32431 ! L-alaninate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UWTATZPHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.08528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32436 name: D-alaninium namespace: chebi_ontology def: "An alaninium that is the conjugate acid of D-alanine." [] subset: 3_STAR synonym: "(1R)-1-carboxyethanaminium" RELATED [IUPAC] synonym: "D-alanine cation" RELATED [JCBN] synonym: "D-alaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32440 ! alaninium relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15570 ! D-alanine relationship: is_enantiomer_of CHEBI:32432 ! L-alaninium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UWTATZPHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.10116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.05495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32439 name: alaninate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-aminopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "alaninate" EXACT [JCBN] synonym: "alanine anion" RELATED [JCBN] xref: Beilstein:3903719 {source="Beilstein"} xref: Gmelin:101040 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_base_of CHEBI:16449 ! alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.08528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32440 name: alaninium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of alanine." [] subset: 3_STAR synonym: "1-carboxyethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "alanine cation" RELATED [JCBN] synonym: "alaninium" EXACT [JCBN] xref: Gmelin:362663 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_acid_of CHEBI:16449 ! alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.10116" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.05495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32442 name: L-cysteinate(1-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "hydrogen L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinate(1-)" EXACT [JCBN] synonym: "L-cysteine anion" RELATED [NIST_Chemistry_WebBook] synonym: "L-cysteine monoanion" RELATED [JCBN] xref: Beilstein:4128886 {source="Beilstein"} xref: Gmelin:325857 {source="Gmelin"} xref: Reaxys:4128886 {source="Reaxys"} is_a: CHEBI:32456 ! cysteinate(1-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32443 ! L-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_base_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32449 ! D-cysteinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:32443 name: L-cysteinate(2-) namespace: chebi_ontology def: "The L-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "L-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinate(2-)" EXACT [JCBN] synonym: "L-cysteine dianion" RELATED [JCBN] xref: Beilstein:5921923 {source="Beilstein"} xref: Gmelin:325856 {source="Gmelin"} xref: Reaxys:5921923 {source="Reaxys"} is_a: CHEBI:32457 ! cysteinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32450 ! D-cysteinate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32445 name: L-cysteinium namespace: chebi_ontology def: "The L-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1R)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "L-cysteine cation" RELATED [JCBN] synonym: "L-cysteinium" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteinium(1+)" RELATED [ChEBI] xref: Gmelin:325860 {source="Gmelin"} is_a: CHEBI:32458 ! cysteinium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17561 ! L-cysteine relationship: is_conjugate_acid_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32451 ! D-cysteinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:32449 name: D-cysteinate(1-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(1-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "D-cysteinate(1-)" EXACT [JCBN] synonym: "D-cysteine monoanion" RELATED [JCBN] synonym: "hydrogen D-cysteinate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1006156 {source="Gmelin"} is_a: CHEBI:32456 ! cysteinate(1-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32450 ! D-cysteinate(2-) relationship: is_conjugate_base_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_base_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32442 ! L-cysteinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:3245 name: butyl acrylate namespace: chebi_ontology def: "An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid." [] subset: 3_STAR synonym: "Acrylic acid butyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Butyl acrylate" EXACT [KEGG_COMPOUND] synonym: "butyl acrylate" EXACT IUPAC_NAME [IUPAC] synonym: "butyl prop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "n-Butyl acrylate" RELATED [ChemIDplus] synonym: "n-Butyl propenoate" RELATED [ChemIDplus] xref: CAS:141-32-2 {source="NIST Chemistry WebBook"} xref: CAS:141-32-2 {source="KEGG COMPOUND"} xref: KEGG:C10921 xref: PMID:23970461 {source="Europe PMC"} xref: PMID:24415829 {source="Europe PMC"} xref: Reaxys:1749970 {source="Reaxys"} is_a: CHEBI:50424 ! acrylate ester relationship: has_functional_parent CHEBI:18308 ! acrylic acid relationship: has_functional_parent CHEBI:28885 ! butan-1-ol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CQEYYJKEWSMYFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.16898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOC(=O)C=C" xsd:string [Term] id: CHEBI:32450 name: D-cysteinate(2-) namespace: chebi_ontology def: "The D-enantiomer of cysteinate(2-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "D-cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-cysteinate(2-)" EXACT [JCBN] synonym: "D-cysteine dianion" RELATED [JCBN] xref: Gmelin:1342792 {source="Gmelin"} is_a: CHEBI:32457 ! cysteinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_enantiomer_of CHEBI:32443 ! L-cysteinate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32451 name: D-cysteinium namespace: chebi_ontology def: "The D-enantiomer of cysteinium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "(1S)-1-carboxy-2-sulfanylethanaminium" RELATED [IUPAC] synonym: "D-cysteine cation" RELATED [JCBN] synonym: "D-cysteinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:363237 {source="Gmelin"} is_a: CHEBI:32458 ! cysteinium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:16375 ! D-cysteine relationship: is_conjugate_acid_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_enantiomer_of CHEBI:32445 ! L-cysteinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CS)C(O)=O" xsd:string [Term] id: CHEBI:32456 name: cysteinate(1-) namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "cys(-)" RELATED [IUPAC] synonym: "cysteinate(1-)" EXACT [JCBN] synonym: "cysteine monoanion" RELATED [JCBN] synonym: "hydrogen cysteinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4128885 {source="Beilstein"} xref: Gmelin:363235 {source="Gmelin"} xref: Reaxys:4128885 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_acid_of CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:15356 ! cysteine relationship: is_conjugate_base_of CHEBI:35237 ! cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C([O-])=O" xsd:string [Term] id: CHEBI:32457 name: cysteinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-sulfidopropanoate" RELATED [IUPAC] synonym: "cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteinate(2-)" EXACT [JCBN] synonym: "cysteine dianion" RELATED [JCBN] xref: Gmelin:49990 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32456 ! cysteinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32458 name: cysteinium namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] synonym: "1-carboxy-2-sulfanylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine cation" RELATED [JCBN] synonym: "cysteinium" EXACT [JCBN] synonym: "H2cys(+)" RELATED [IUPAC] xref: Gmelin:325859 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:15356 ! cysteine relationship: is_conjugate_acid_of CHEBI:35237 ! cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C(O)=O" xsd:string [Term] id: CHEBI:32486 name: L-phenylalaninate namespace: chebi_ontology def: "An optically active form of phenylalaninate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-phenylpropanoate" RELATED [IUPAC] synonym: "L-phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-phenylalanine anion" RELATED [JCBN] xref: Beilstein:4136718 {source="Beilstein"} xref: Gmelin:329084 {source="Gmelin"} xref: PMID:21956539 {source="Europe PMC"} xref: Reaxys:4136718 {source="Reaxys"} is_a: CHEBI:32504 ! phenylalaninate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:17295 ! L-phenylalanine relationship: is_enantiomer_of CHEBI:32494 ! D-phenylalaninate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32487 name: L-phenylalaninium namespace: chebi_ontology def: "An optically active form of phenylalaninium having L-configuration." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "L-phenylalanine cation" RELATED [JCBN] synonym: "L-phenylalaninium" EXACT IUPAC_NAME [IUPAC] xref: PMID:21956539 {source="Europe PMC"} is_a: CHEBI:32505 ! phenylalaninium relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:17295 ! L-phenylalanine relationship: is_enantiomer_of CHEBI:32495 ! D-phenylalaninium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32494 name: D-phenylalaninate namespace: chebi_ontology def: "The D-enantiomer of phenylalaninate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-phenylpropanoate" RELATED [IUPAC] synonym: "D-phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-phenylalanine anion" RELATED [JCBN] xref: Beilstein:5740552 {source="Beilstein"} xref: Gmelin:746993 {source="Gmelin"} is_a: CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:16998 ! D-phenylalanine relationship: is_enantiomer_of CHEBI:32486 ! L-phenylalaninate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32495 name: D-phenylalaninium namespace: chebi_ontology def: "An optically active form of phenylalaninium having D-configuration." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "D-phenylalanine cation" RELATED [JCBN] synonym: "D-phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32505 ! phenylalaninium relationship: is_conjugate_acid_of CHEBI:16998 ! D-phenylalanine relationship: is_enantiomer_of CHEBI:32487 ! L-phenylalaninium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32497 name: thioacetamide namespace: chebi_ontology def: "A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur." [] subset: 3_STAR synonym: "acetic acid thioamide" RELATED [ChEBI] synonym: "Acetothioamide" RELATED [ChemIDplus] synonym: "ethanethioamide" EXACT IUPAC_NAME [IUPAC] synonym: "methylthioamide" RELATED [ChEBI] synonym: "TAA" RELATED [NIST_Chemistry_WebBook] synonym: "Thiacetamide" RELATED [ChemIDplus] synonym: "Thioacetimidic acid" RELATED [ChemIDplus] synonym: "Thioactamide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:506006 {source="Beilstein"} xref: CAS:62-55-5 {source="NIST Chemistry WebBook"} xref: CAS:62-55-5 {source="ChemIDplus"} xref: CAS:62-55-5 {source="KEGG COMPOUND"} xref: KEGG:C19302 xref: PMID:20138653 {source="Europe PMC"} xref: PMID:20534638 {source="Europe PMC"} xref: PMID:20931291 {source="Europe PMC"} xref: PMID:21182490 {source="Europe PMC"} xref: PMID:21455425 {source="Europe PMC"} xref: PMID:21489598 {source="Europe PMC"} xref: PMID:21647311 {source="Europe PMC"} xref: PMID:21699073 {source="Europe PMC"} xref: PMID:21733084 {source="Europe PMC"} xref: PMID:21733883 {source="Europe PMC"} xref: PMID:21749370 {source="Europe PMC"} xref: Reaxys:506006 {source="Reaxys"} xref: Wikipedia:Thioacetamide is_a: CHEBI:47956 ! thiocarboxamide relationship: has_functional_parent CHEBI:27856 ! acetamide relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YUKQRDCYNOVPGJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.13384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.01427" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(N)=S" xsd:string [Term] id: CHEBI:32504 name: phenylalaninate namespace: chebi_ontology def: "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoate" RELATED [IUPAC] synonym: "phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylalanine anion" RELATED [JCBN] xref: Gmelin:329083 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63473 ! aromatic amino-acid anion relationship: is_conjugate_base_of CHEBI:28044 ! phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32505 name: phenylalaninium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "phenylalanine cation" RELATED [JCBN] synonym: "phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28044 ! phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32506 name: 4,4'-diaminodiphenylmethane namespace: chebi_ontology alt_id: CHEBI:234513 def: "An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group." [] subset: 3_STAR synonym: "4,4'-Diaminodiphenylmethane" EXACT [KEGG_COMPOUND] synonym: "4,4'-Diaminodiphenylmethane" EXACT [ChemIDplus] synonym: "4,4'-Diphenylmethanediamine" RELATED [ChemIDplus] synonym: "4,4'-Methylenebis(benzeneamine)" RELATED [ChemIDplus] synonym: "4,4'-methylenedianiline" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-methylenedianiline" RELATED [ChEMBL] synonym: "4-(4-aminobenzyl)aniline" RELATED [ChEMBL] synonym: "alpha-(p-aminophenyl)-p-toluidine" RELATED [NIST_Chemistry_WebBook] synonym: "Bis(4-aminophenyl)methane" RELATED [ChemIDplus] synonym: "Bis(p-aminophenyl)methane" RELATED [ChemIDplus] synonym: "bis-p-aminophenylmethane" RELATED [ChEBI] synonym: "DADPM" RELATED [NIST_Chemistry_WebBook] synonym: "DAPM" RELATED [NIST_Chemistry_WebBook] synonym: "DDM" RELATED [NIST_Chemistry_WebBook] synonym: "di-(4-aminophenyl)methane" RELATED [ChEBI] synonym: "di-(p-aminophenyl)methane" RELATED [ChEBI] synonym: "Dianilinomethane" RELATED [ChemIDplus] synonym: "p,p'-Diaminodiphenylmethane" RELATED [ChemIDplus] synonym: "p,p'-Methylenedianiline" RELATED [ChemIDplus] xref: Beilstein:474706 {source="Beilstein"} xref: CAS:101-77-9 {source="KEGG COMPOUND"} xref: CAS:101-77-9 {source="ChemIDplus"} xref: CAS:101-77-9 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0041808 xref: KEGG:C14288 xref: PMID:17061110 {source="Europe PMC"} xref: PMID:17482318 {source="ChEMBL"} xref: PMID:18844695 {source="Europe PMC"} xref: PMID:22393703 {source="Europe PMC"} xref: PMID:2607764 {source="Europe PMC"} xref: PMID:7265110 {source="ChEMBL"} xref: PMID:9022650 {source="Europe PMC"} xref: PPDB:1640 xref: Reaxys:474706 {source="Reaxys"} xref: Wikipedia:4\,4'-Methylenedianiline is_a: CHEBI:33860 ! aromatic amine relationship: has_parent_hydride CHEBI:38884 ! diphenylmethane relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBRVSVVVWCFQMG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.26374" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.11570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(Cc2ccc(N)cc2)cc1" xsd:string [Term] id: CHEBI:32507 name: glycinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino." [] subset: 3_STAR synonym: "carboxymethanaminium" RELATED [IUPAC] synonym: "glycine cation" RELATED [JCBN] synonym: "glycinium" EXACT IUPAC_NAME [IUPAC] synonym: "H2gly(+)" RELATED [IUPAC] synonym: "NH3(+)-CH2-COOH" RELATED [IUPAC] xref: Gmelin:323509 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:15428 ! glycine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.07458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.03930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CC(O)=O" xsd:string [Term] id: CHEBI:32508 name: glycinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "aminoacetate" RELATED [IUPAC] synonym: "gly(-)" RELATED [IUPAC] synonym: "glycinate" EXACT IUPAC_NAME [IUPAC] synonym: "glycine anion" RELATED [JCBN] synonym: "H2N-CH2-COO(-)" RELATED [IUPAC] xref: Beilstein:1852023 {source="Beilstein"} xref: Gmelin:81890 {source="Gmelin"} xref: Reaxys:1852023 {source="Reaxys"} xref: UM-BBD_compID:c0559 {source="UM-BBD"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:15428 ! glycine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC([O-])=O" xsd:string [Term] id: CHEBI:32529 name: histidinate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-(1H-imidazol-4-yl)propanoate" RELATED [IUPAC] synonym: "histidinate(1-)" EXACT [JCBN] synonym: "histidine anion" RELATED [JCBN] synonym: "hydrogen histidinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3959092 {source="Beilstein"} xref: Gmelin:364417 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:32530 ! histidinate(2-) relationship: is_conjugate_base_of CHEBI:27570 ! histidine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNDVDQJCIGZPNO-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.14660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.06220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1c[nH]cn1)C([O-])=O" xsd:string [Term] id: CHEBI:32530 name: histidinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-imidazol-1-id-4-ylpropanoate" RELATED [IUPAC] synonym: "histidinate" EXACT IUPAC_NAME [IUPAC] synonym: "histidinate(2-)" EXACT [JCBN] synonym: "histidine dianion" RELATED [JCBN] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32529 ! histidinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWRZMXZXJKNOLO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.13880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.05492" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1c[n-]cn1)C([O-])=O" xsd:string [Term] id: CHEBI:32531 name: histidinium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate" RELATED [IUPAC] synonym: "histidine monocation" RELATED [JCBN] synonym: "histidinium" EXACT IUPAC_NAME [IUPAC] synonym: "histidinium(1+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:27570 ! histidine relationship: is_conjugate_base_of CHEBI:32532 ! histidinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNDVDQJCIGZPNO-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.16262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.07675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O" xsd:string [Term] id: CHEBI:32532 name: histidinium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium" RELATED [IUPAC] synonym: "histidine dication" RELATED [JCBN] synonym: "histidinediium" EXACT IUPAC_NAME [IUPAC] synonym: "histidinium(2+)" EXACT [JCBN] xref: Gmelin:1151904 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32531 ! histidinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNDVDQJCIGZPNO-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "157.17056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.08403" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O" xsd:string [Term] id: CHEBI:32544 name: nicotinate namespace: chebi_ontology alt_id: CHEBI:14650 alt_id: CHEBI:22851 alt_id: CHEBI:25530 def: "A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "3-pyridinecarboxylate" RELATED [ChEBI] synonym: "nicotinate" EXACT [UniProt] synonym: "pyridine-3-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3539722 {source="Beilstein"} xref: Gmelin:327384 {source="Gmelin"} xref: MetaCyc:NIACINE xref: PMID:17190852 {source="Europe PMC"} xref: PMID:21742010 {source="Europe PMC"} xref: PMID:21953179 {source="Europe PMC"} xref: Reaxys:3539722 {source="Reaxys"} is_a: CHEBI:176839 ! vitamin B3 is_a: CHEBI:38181 ! pyridinemonocarboxylate relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:15940 ! nicotinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.10150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1cccnc1" xsd:string [Term] id: CHEBI:32550 name: L-lysinate namespace: chebi_ontology def: "An optically active form of lysinate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,6-diaminohexanoate" RELATED [IUPAC] synonym: "L-lysinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-lysinate(1-)" RELATED [ChEBI] synonym: "L-lysine anion" RELATED [JCBN] xref: Beilstein:4383108 {source="Beilstein"} xref: Gmelin:327969 {source="Gmelin"} xref: Reaxys:4383108 {source="Reaxys"} is_a: CHEBI:32563 ! lysinate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:18019 ! L-lysine relationship: is_enantiomer_of CHEBI:32556 ! D-lysinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-YFKPBYRVSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.17970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.09825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC[C@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32551 name: L-lysinium(1+) namespace: chebi_ontology def: "An optically active form of lysinium having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,6-diammoniohexanoate" RELATED [IUPAC] synonym: "L-lysine" RELATED [UniProt] synonym: "L-lysine monocation" RELATED [JCBN] synonym: "L-lysinium" EXACT IUPAC_NAME [IUPAC] synonym: "L-lysinium(1+)" EXACT [JCBN] xref: Gmelin:1149956 {source="Gmelin"} xref: MetaCyc:LYS is_a: CHEBI:32564 ! lysinium(1+) is_a: CHEBI:62031 ! polar amino acid zwitterion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:133538 ! L-lysine zwitterion relationship: is_conjugate_acid_of CHEBI:18019 ! L-lysine relationship: is_conjugate_base_of CHEBI:32552 ! L-lysinium(2+) relationship: is_enantiomer_of CHEBI:32557 ! D-lysinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-YFKPBYRVSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.19558" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32552 name: L-lysinium(2+) namespace: chebi_ontology def: "The L-enantiomer of lysinium(2+)." [] subset: 3_STAR synonym: "(1S)-1-carboxypentane-1,5-diaminium" RELATED [IUPAC] synonym: "L-lysine dication" RELATED [JCBN] synonym: "L-lysinediium" EXACT IUPAC_NAME [IUPAC] synonym: "L-lysinium(2+)" EXACT [JCBN] xref: Gmelin:1068715 {source="Gmelin"} is_a: CHEBI:32565 ! lysinium(2+) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:32551 ! L-lysinium(1+) relationship: is_enantiomer_of CHEBI:32558 ! D-lysinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-YFKPBYRVSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.12008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32556 name: D-lysinate namespace: chebi_ontology def: "An optically active form of lysinate having D-configuration." [] subset: 3_STAR synonym: "(2R)-2,6-diaminohexanoate" RELATED [IUPAC] synonym: "D-lysinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-lysinate(1-)" RELATED [ChEBI] synonym: "D-lysine anion" RELATED [JCBN] xref: Gmelin:1484324 {source="Gmelin"} is_a: CHEBI:32563 ! lysinate relationship: has_role CHEBI:76946 ! fungal metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_base_of CHEBI:16855 ! D-lysine relationship: is_enantiomer_of CHEBI:32550 ! L-lysinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-RXMQYKEDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.17970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.09825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC[C@@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32557 name: D-lysinium(1+) namespace: chebi_ontology def: "An optically active form of lysinium having D-configuration." [] subset: 3_STAR synonym: "(2R)-2,6-diammoniohexanoate" RELATED [IUPAC] synonym: "D-lysine" RELATED [UniProt] synonym: "D-lysine monocation" RELATED [JCBN] synonym: "D-lysinium" EXACT IUPAC_NAME [IUPAC] synonym: "D-lysinium(1+)" EXACT [JCBN] is_a: CHEBI:32564 ! lysinium(1+) relationship: has_role CHEBI:76946 ! fungal metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:16855 ! D-lysine relationship: is_conjugate_base_of CHEBI:32558 ! D-lysinium(2+) relationship: is_enantiomer_of CHEBI:32551 ! L-lysinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-RXMQYKEDSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.19558" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32558 name: D-lysinium(2+) namespace: chebi_ontology def: "The D-enantiomer of lysinium(2+)." [] subset: 3_STAR synonym: "(1R)-1-carboxypentane-1,5-diaminium" RELATED [IUPAC] synonym: "D-lysine dication" RELATED [JCBN] synonym: "D-lysinediium" EXACT IUPAC_NAME [IUPAC] synonym: "D-lysinium(2+)" EXACT [JCBN] is_a: CHEBI:32565 ! lysinium(2+) relationship: has_role CHEBI:76946 ! fungal metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:32557 ! D-lysinium(1+) relationship: is_enantiomer_of CHEBI:32552 ! L-lysinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-RXMQYKEDSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.12008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32563 name: lysinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2,6-diaminohexanoate" RELATED [IUPAC] synonym: "lys(-)" RELATED [IUPAC] synonym: "lysinate" EXACT IUPAC_NAME [IUPAC] synonym: "lysinate(1-)" RELATED [ChEBI] synonym: "lysine anion" RELATED [JCBN] xref: Gmelin:815095 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:25094 ! lysine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.17970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.09825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32564 name: lysinium(1+) namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group." [] subset: 3_STAR synonym: "2,6-diammoniohexanoate" RELATED [IUPAC] synonym: "lysine monocation" RELATED [JCBN] synonym: "lysinium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(1+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25094 ! lysine relationship: is_conjugate_base_of CHEBI:32565 ! lysinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.19558" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32565 name: lysinium(2+) namespace: chebi_ontology def: "An alpha-amino-acid cation obtained by protonation of both amino groups of lysine." [] subset: 3_STAR synonym: "1-carboxypentane-1,5-diaminium" RELATED [IUPAC] synonym: "lysine dication" RELATED [JCBN] synonym: "lysinediium" EXACT IUPAC_NAME [IUPAC] synonym: "lysinium(2+)" EXACT [JCBN] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32564 ! lysinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.12008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32588 name: potassium chloride namespace: chebi_ontology def: "A metal chloride salt with a K(+) counterion." [] comment: LanguaL term definition: Food additive; technological purpose(s): gelling agent, flavour enhancer, stabilizer, thickener. subset: 3_STAR synonym: "[KCl]" RELATED [MolBase] synonym: "Kaliumchlorid" RELATED [ChEBI] synonym: "Kaon-Cl 10" RELATED BRAND_NAME [KEGG_DRUG] synonym: "KCl" RELATED [IUPAC] synonym: "Klor-con" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Klotrix" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Monopotassium chloride" RELATED [DrugBank] synonym: "muriate of potash" RELATED [NIST_Chemistry_WebBook] synonym: "potassium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "sylvite" RELATED [ChEBI] xref: CAS:7447-40-7 {source="NIST Chemistry WebBook"} xref: CAS:7447-40-7 {source="ChemIDplus"} xref: Codex:\:508 xref: DrugBank:DB00761 xref: Europe:\:508 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1653 xref: KEGG:D02060 xref: MetaCyc:KCL xref: MolBase:881 xref: Reaxys:3534978 {source="Reaxys"} xref: Wikipedia:Potassium_Chloride is_a: CHEBI:190303 ! inorganic potassium salt is_a: CHEBI:36093 ! inorganic chloride is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:33287 ! fertilizer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClK" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.55100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.93256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[K+]" xsd:string property_value: IAO:0000118 "potassium chloride" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3259 name: CCCP namespace: chebi_ontology def: "A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death." [] subset: 3_STAR synonym: "(3-chlorophenyl)hydrazonomalononitrile" RELATED [ChemIDplus] synonym: "[(3-chlorophenyl)hydrazono]malononitrile" RELATED [ChemIDplus] synonym: "[(3-chlorophenyl)hydrazono]propanedinitrile" RELATED [ChemIDplus] synonym: "Carbonyl cyanide m-chlorophenyl hydrazone" RELATED [KEGG_COMPOUND] synonym: "carbonylcyanide-3-chlorophenylhydrazone" RELATED [ChemIDplus] synonym: "CCCP" EXACT [KEGG_COMPOUND] synonym: "N'-(3-chlorophenyl)carbonohydrazonoyl dicyanide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1842102 {source="ChemIDplus"} xref: CAS:555-60-2 {source="ChemIDplus"} xref: CAS:555-60-2 {source="KEGG COMPOUND"} xref: Chemspider:2504 xref: KEGG:C11164 xref: LINCS:LSM-2341 xref: PMID:19442682 {source="Europe PMC"} xref: PMID:25557480 {source="Europe PMC"} xref: PMID:26208452 {source="Europe PMC"} xref: PMID:26351918 {source="Europe PMC"} xref: PMID:29241732 {source="Europe PMC"} xref: PMID:29277693 {source="Europe PMC"} xref: PMID:29734380 {source="Europe PMC"} xref: PMID:30123191 {source="Europe PMC"} xref: PMID:31346323 {source="Europe PMC"} xref: PMID:31956228 {source="Europe PMC"} xref: PMID:32936131 {source="Europe PMC"} xref: PMID:33096791 {source="Europe PMC"} xref: PMID:33790590 {source="Europe PMC"} xref: PMID:33837631 {source="Europe PMC"} xref: Wikipedia:Carbonyl_cyanide_m-chlorophenyl_hydrazone is_a: CHEBI:18379 ! nitrile is_a: CHEBI:38532 ! hydrazone is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:33189 ! hydrazonomalononitrile relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:24869 ! ionophore relationship: has_role CHEBI:33282 ! antibacterial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H5ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UGTJLJZQQFGTJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.61566" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.02027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(NN=C(C#N)C#N)c1" xsd:string [Term] id: CHEBI:32594 name: barium atom namespace: chebi_ontology subset: 3_STAR synonym: "56Ba" RELATED [IUPAC] synonym: "Ba" RELATED [IUPAC] synonym: "bario" RELATED [ChEBI] synonym: "Barium" RELATED [ChEBI] synonym: "barium" EXACT IUPAC_NAME [IUPAC] synonym: "barium" RELATED [ChEBI] synonym: "baryum" RELATED [ChEBI] xref: WebElements:Ba is_a: CHEBI:22313 ! alkaline earth metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ba" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ba" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DSAJWYNOEDNPEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.32700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.90525" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ba]" xsd:string [Term] id: CHEBI:32600 name: tetracene namespace: chebi_ontology def: "An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "2,3-benzanthracene" RELATED [NIST_Chemistry_WebBook] synonym: "benz[b]anthracene" RELATED [NIST_Chemistry_WebBook] synonym: "naphthacene" RELATED [IUPAC] synonym: "tetracene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1909299 {source="Beilstein"} xref: CAS:92-24-0 {source="NIST Chemistry WebBook"} xref: CAS:92-24-0 {source="ChemIDplus"} xref: Gmelin:306993 {source="Gmelin"} xref: PMID:11493061 {source="Europe PMC"} xref: PMID:24655187 {source="Europe PMC"} xref: Reaxys:1909299 {source="Reaxys"} xref: Wikipedia:Tetracene is_a: CHEBI:35297 ! acene is_a: CHEBI:51270 ! tetracenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IFLREYGFSNHWGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.28788" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2cc3cc4ccccc4cc3cc2c1" xsd:string [Term] id: CHEBI:326268 name: 1,4-butanediammonium namespace: chebi_ontology def: "An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3." [] subset: 3_STAR synonym: "butane-1,4-bis(aminium)" EXACT IUPAC_NAME [IUPAC] synonym: "butane-1,4-diaminium" RELATED [IUPAC] synonym: "putrescine" RELATED [UniProt] synonym: "putrescinium dication" RELATED [ChEBI] synonym: "putrescinium(2+)" RELATED [ChEBI] xref: Gmelin:323413 {source="Gmelin"} xref: MetaCyc:PUTRESCINE is_a: CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17148 ! putrescine property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KIDHWZJUCRJVML-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.16740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.11460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC[NH3+]" xsd:string [Term] id: CHEBI:32627 name: leucinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-4-methylpentanoate" RELATED [IUPAC] synonym: "leu(-)" RELATED [IUPAC] synonym: "leucinate" EXACT IUPAC_NAME [IUPAC] synonym: "leucine anion" RELATED [JCBN] xref: Reaxys:5245805 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63471 ! branched-chain amino-acid anion relationship: is_conjugate_base_of CHEBI:25017 ! leucine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.16502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.08735" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32628 name: leucinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-3-methylbutan-1-aminium" RELATED [IUPAC] synonym: "H2leu(+)" RELATED [IUPAC] synonym: "leucine cation" RELATED [JCBN] synonym: "leucinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1651836 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:25017 ! leucine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.18090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.10191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32644 name: methioninate namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "met(-)" RELATED [IUPAC] synonym: "methioninate" EXACT IUPAC_NAME [IUPAC] synonym: "methionine anion" RELATED [JCBN] xref: Beilstein:3937270 {source="Beilstein"} xref: Gmelin:326565 {source="Gmelin"} xref: Reaxys:3937270 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_base_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.20444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.04377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC(N)C([O-])=O" xsd:string [Term] id: CHEBI:32646 name: methioninium namespace: chebi_ontology def: "A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-3-(methylsulfanyl)propan-1-aminium" RELATED [IUPAC] synonym: "H2met(+)" RELATED [IUPAC] synonym: "methionine cation" RELATED [JCBN] synonym: "methioninium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:326567 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.22032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05833" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32665 name: L-glutaminate namespace: chebi_ontology def: "An optically active form of glutaminate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "L-glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamine anion" RELATED [JCBN] xref: Gmelin:327924 {source="Gmelin"} is_a: CHEBI:32678 ! glutaminate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:18050 ! L-glutamine relationship: is_enantiomer_of CHEBI:32672 ! D-glutaminate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-VKHMYHEASA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.13664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.06187" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(N)=O)C([O-])=O" xsd:string [Term] id: CHEBI:32666 name: L-glutaminium namespace: chebi_ontology def: "An optically active form of glutaminium having L-configuration." [] subset: 3_STAR synonym: "(1S)-4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "L-glutamine cation" RELATED [JCBN] synonym: "L-glutaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32679 ! glutaminium relationship: is_conjugate_acid_of CHEBI:18050 ! L-glutamine relationship: is_enantiomer_of CHEBI:32673 ! D-glutaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-VKHMYHEASA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.15252" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.07642" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)CC[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32672 name: D-glutaminate namespace: chebi_ontology def: "An optically active form of glutaminate having D-configuration." [] subset: 3_STAR synonym: "(2R)-2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "D-glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamine anion" RELATED [JCBN] xref: Gmelin:1342585 {source="Gmelin"} is_a: CHEBI:32678 ! glutaminate relationship: is_conjugate_base_of CHEBI:17061 ! D-glutamine relationship: is_enantiomer_of CHEBI:32665 ! L-glutaminate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-GSVOUGTGSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.13664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.06187" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC(N)=O)C([O-])=O" xsd:string [Term] id: CHEBI:32673 name: D-glutaminium namespace: chebi_ontology def: "An optically active form of glutaminium having D-configuration." [] subset: 3_STAR synonym: "(1R)-4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "D-glutamine cation" RELATED [JCBN] synonym: "D-glutaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32679 ! glutaminium relationship: is_conjugate_acid_of CHEBI:17061 ! D-glutamine relationship: is_enantiomer_of CHEBI:32666 ! L-glutaminium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-GSVOUGTGSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.15252" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.07642" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)CC[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32678 name: glutaminate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2,5-diamino-5-oxopentanoate" RELATED [IUPAC] synonym: "gln(-)" RELATED [IUPAC] synonym: "glutaminate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamine anion" RELATED [JCBN] xref: Gmelin:464703 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:28300 ! glutamine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.13664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.06187" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(N)=O)C([O-])=O" xsd:string [Term] id: CHEBI:32679 name: glutaminium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "4-amino-1-carboxy-4-oxobutan-1-aminium" RELATED [IUPAC] synonym: "glutamine cation" RELATED [JCBN] synonym: "glutaminium" EXACT IUPAC_NAME [IUPAC] synonym: "H2gln(+)" RELATED [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28300 ! glutamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.15252" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.07642" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)CCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32681 name: L-argininate namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "(2S)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "L-argininate" EXACT IUPAC_NAME [IUPAC] synonym: "L-arginine anion" RELATED [JCBN] xref: Beilstein:4745004 {source="Beilstein"} xref: Gmelin:329320 {source="Gmelin"} is_a: CHEBI:32695 ! argininate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:16467 ! L-arginine relationship: is_enantiomer_of CHEBI:32688 ! D-argininate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.19318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.10440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCCNC(N)=N)C([O-])=O" xsd:string [Term] id: CHEBI:32682 name: L-argininium(1+) namespace: chebi_ontology alt_id: CHEBI:133495 def: "The L-enantiomer of argininium(1+)." [] subset: 3_STAR synonym: "(2S)-2-amino-5-(carbamimidamido)pentanoate" RELATED [ChEBI] synonym: "(2S)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "(2S)-2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "arginine(1+)" RELATED [ChEBI] synonym: "L-arginine" RELATED [ChEBI] synonym: "L-arginine" RELATED [UniProt] synonym: "L-arginine cation" RELATED [ChEBI] synonym: "L-arginine monocation" RELATED [JCBN] synonym: "L-argininium" EXACT IUPAC_NAME [IUPAC] synonym: "L-argininium(1+)" EXACT [JCBN] xref: Gmelin:1345601 {source="Gmelin"} is_a: CHEBI:32696 ! argininium(1+) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16467 ! L-arginine relationship: is_conjugate_base_of CHEBI:32683 ! L-argininium(2+) relationship: is_enantiomer_of CHEBI:32689 ! D-argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-BYPYZUCNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.20906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.11895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32683 name: L-argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "[(1S)-1-carboxy-4-guanidiniobutyl]ammonium" RELATED [ChEBI] synonym: "L-arginine dication" RELATED [JCBN] synonym: "L-argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "L-argininium(2+)" EXACT [JCBN] xref: Beilstein:4745613 {source="Beilstein"} is_a: CHEBI:32697 ! argininium(2+) relationship: is_conjugate_acid_of CHEBI:32682 ! L-argininium(1+) relationship: is_enantiomer_of CHEBI:32690 ! D-argininium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-BYPYZUCNSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.12623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCC[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32687 name: piperonyl butoxide namespace: chebi_ontology subset: 3_STAR synonym: "(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether" RELATED [NIST_Chemistry_WebBook] synonym: "(butylcarbityl)(6-propylpiperonyl)ether" RELATED [ChemIDplus] synonym: "2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether" RELATED [ChemIDplus] synonym: "5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole" RELATED [NIST_Chemistry_WebBook] synonym: "5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole" EXACT IUPAC_NAME [IUPAC] synonym: "6-propylpiperonyl butyl diethylene glycol ether" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-(2-(2-n-butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "butyl carbitol 6-propylpiperonyl ether" RELATED [ChemIDplus] xref: Beilstein:288063 {source="Beilstein"} xref: CAS:51-03-6 {source="ChemIDplus"} xref: CAS:51-03-6 {source="KEGG COMPOUND"} xref: CAS:51-03-6 {source="NIST Chemistry WebBook"} xref: Drug_Central:4276 {source="DrugCentral"} xref: KEGG:C18880 xref: KEGG:D08383 xref: PPDB:529 xref: VSDB:529 xref: Wikipedia:Piperonyl_Butoxide is_a: CHEBI:38298 ! benzodioxoles relationship: has_role CHEBI:25943 ! pesticide synergist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H30O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIPWRIJSWJWJAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "338.43850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "338.20932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOCCOCCOCc1cc2OCOc2cc1CCC" xsd:string [Term] id: CHEBI:32688 name: D-argininate namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "(2R)-2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "D-argininate" EXACT IUPAC_NAME [IUPAC] synonym: "D-arginine anion" RELATED [JCBN] is_a: CHEBI:32695 ! argininate relationship: is_conjugate_base_of CHEBI:15816 ! D-arginine relationship: is_enantiomer_of CHEBI:32681 ! L-argininate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-SCSAIBSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.19318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.10440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCCNC(N)=N)C([O-])=O" xsd:string [Term] id: CHEBI:32689 name: D-argininium(1+) namespace: chebi_ontology def: "The D-enantiomer of argininium(1+)." [] subset: 3_STAR synonym: "(2R)-2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "D-arginine" RELATED [UniProt] synonym: "D-arginine monocation" RELATED [JCBN] synonym: "D-argininium" EXACT IUPAC_NAME [IUPAC] synonym: "D-argininium(1+)" EXACT [JCBN] xref: Gmelin:1345600 {source="Gmelin"} xref: MetaCyc:CPD-220 is_a: CHEBI:32696 ! argininium(1+) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:15816 ! D-arginine relationship: is_conjugate_base_of CHEBI:32690 ! D-argininium(2+) relationship: is_enantiomer_of CHEBI:32682 ! L-argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-SCSAIBSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.20906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.11895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCC[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32690 name: D-argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "[(1R)-1-carboxy-4-guanidiniobutyl]ammonium" RELATED [ChEBI] synonym: "D-arginine dication" RELATED [JCBN] synonym: "D-argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "D-argininium(2+)" EXACT [JCBN] is_a: CHEBI:32697 ! argininium(2+) relationship: is_conjugate_acid_of CHEBI:32689 ! D-argininium(1+) relationship: is_enantiomer_of CHEBI:32683 ! L-argininium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-SCSAIBSYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.12623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCC[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32695 name: argininate namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-5-(carbamimidamido)pentanoate" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoate" RELATED [JCBN] synonym: "arg(-)" RELATED [IUPAC] synonym: "argininate" EXACT IUPAC_NAME [IUPAC] synonym: "arginine anion" RELATED [JCBN] xref: Gmelin:603497 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:29016 ! arginine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.19318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.10440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C([O-])=O" xsd:string [Term] id: CHEBI:32696 name: argininium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "2-ammonio-5-guanidiniopentanoate" RELATED [JCBN] synonym: "arginine" RELATED [UniProt] synonym: "arginine monocation" RELATED [JCBN] synonym: "argininium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(1+)" EXACT [JCBN] synonym: "H2arg(+)" RELATED [IUPAC] xref: Gmelin:1345599 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:29016 ! arginine relationship: is_conjugate_base_of CHEBI:32697 ! argininium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.20906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.11895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:32697 name: argininium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "(1-carboxy-4-guanidiniobutyl)ammonium" RELATED [ChEBI] synonym: "arginine dication" RELATED [JCBN] synonym: "argininediium" EXACT IUPAC_NAME [IUPAC] synonym: "argininium(2+)" EXACT [JCBN] synonym: "H3arg(2+)" RELATED [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:32696 ! argininium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.12623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NCCCC([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32760 name: L-tyrosinate(1-) namespace: chebi_ontology def: "An optically active form of tyrosinate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "hydrogen L-tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-tyrosinate(1-)" EXACT [JCBN] synonym: "L-tyrosine anion" RELATED [NIST_Chemistry_WebBook] synonym: "L-tyrosine monoanion" RELATED [JCBN] xref: Beilstein:4784244 {source="Beilstein"} xref: Gmelin:329373 {source="Gmelin"} xref: Reaxys:4784244 {source="Reaxys"} is_a: CHEBI:32784 ! tyrosinate(1-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:32761 ! L-tyrosinate(2-) relationship: is_conjugate_base_of CHEBI:17895 ! L-tyrosine relationship: is_conjugate_base_of CHEBI:58315 ! L-tyrosine zwitterion relationship: is_enantiomer_of CHEBI:32773 ! D-tyrosinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-QMMMGPOBSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.18064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32761 name: L-tyrosinate(2-) namespace: chebi_ontology def: "The L-enantiomer of tyrosinate(2-)." [] subset: 3_STAR synonym: "(2S)-2-amino-3-(4-oxidophenyl)propanoate" RELATED [IUPAC] synonym: "L-tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-tyrosinate(2-)" EXACT [JCBN] synonym: "L-tyrosine dianion" RELATED [JCBN] xref: Beilstein:5339596 {source="Beilstein"} xref: Gmelin:364975 {source="Gmelin"} xref: Reaxys:5339596 {source="Reaxys"} is_a: CHEBI:32785 ! tyrosinate(2-) relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:32760 ! L-tyrosinate(1-) relationship: is_enantiomer_of CHEBI:32774 ! D-tyrosinate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-QMMMGPOBSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.17270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05934" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc([O-])cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32762 name: L-tyrosinium namespace: chebi_ontology def: "An optically active form of tyrosinium having L-configuration." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium" RELATED [IUPAC] synonym: "L-tyrosine cation" RELATED [JCBN] synonym: "L-tyrosinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1150138 {source="Gmelin"} is_a: CHEBI:32786 ! tyrosinium relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:17895 ! L-tyrosine relationship: is_conjugate_acid_of CHEBI:58315 ! L-tyrosine zwitterion relationship: is_enantiomer_of CHEBI:32775 ! D-tyrosinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-QMMMGPOBSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.19652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:32773 name: D-tyrosinate(1-) namespace: chebi_ontology def: "An optically active form of tyrosinate(1-) having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "D-tyrosinate(1-)" EXACT [JCBN] synonym: "D-tyrosine monoanion" RELATED [JCBN] synonym: "hydrogen D-tyrosinate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1484464 {source="Gmelin"} is_a: CHEBI:32784 ! tyrosinate(1-) relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:32774 ! D-tyrosinate(2-) relationship: is_conjugate_base_of CHEBI:28479 ! D-tyrosine relationship: is_enantiomer_of CHEBI:32760 ! L-tyrosinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-MRVPVSSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.18064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32774 name: D-tyrosinate(2-) namespace: chebi_ontology def: "The D-enantiomer of tyrosinate(2-)." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(4-oxidophenyl)propanoate" RELATED [IUPAC] synonym: "D-tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-tyrosinate(2-)" EXACT [JCBN] synonym: "D-tyrosine dianion" RELATED [JCBN] is_a: CHEBI:32785 ! tyrosinate(2-) relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_base_of CHEBI:32773 ! D-tyrosinate(1-) relationship: is_enantiomer_of CHEBI:32761 ! L-tyrosinate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-MRVPVSSYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.17270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05934" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccc([O-])cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32775 name: D-tyrosinium namespace: chebi_ontology def: "An optically active form of tyrosinium having D-configuration." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium" RELATED [IUPAC] synonym: "D-tyrosine cation" RELATED [JCBN] synonym: "D-tyrosinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:364976 {source="Gmelin"} is_a: CHEBI:32786 ! tyrosinium relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: is_conjugate_acid_of CHEBI:28479 ! D-tyrosine relationship: is_enantiomer_of CHEBI:32762 ! L-tyrosinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-MRVPVSSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.19652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:32784 name: tyrosinate(1-) namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "hydrogen tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosinate(1-)" EXACT [JCBN] synonym: "tyrosine anion" RELATED [JCBN] xref: Beilstein:3548387 {source="Beilstein"} xref: Beilstein:4139515 {source="Beilstein"} xref: Gmelin:329372 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:32785 ! tyrosinate(2-) relationship: is_conjugate_base_of CHEBI:18186 ! tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.18064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32785 name: tyrosinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-(4-oxidophenyl)propanoate" RELATED [IUPAC] synonym: "tyrosinate" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosinate(2-)" EXACT [JCBN] synonym: "tyrosine dianion" RELATED [JCBN] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32784 ! tyrosinate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.17270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05934" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc([O-])cc1)C([O-])=O" xsd:string [Term] id: CHEBI:32786 name: tyrosinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group." [] subset: 3_STAR synonym: "1-carboxy-2-(4-hydroxyphenyl)ethanaminium" RELATED [IUPAC] synonym: "tyrosine cation" RELATED [JCBN] synonym: "tyrosinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:18186 ! tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.19652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:32807 name: o-orsellinic acid namespace: chebi_ontology alt_id: CHEBI:25621 alt_id: CHEBI:7791 def: "A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group." [] subset: 3_STAR synonym: "2,4-Dihydroxy-6-methylbenzoic acid" RELATED [KEGG_COMPOUND] synonym: "2,4-dihydroxy-6-methylbenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4,6-Dihydroxy-o-toluic acid" RELATED [KEGG_COMPOUND] synonym: "o-Orsellinic acid" EXACT [KEGG_COMPOUND] synonym: "orsellic acid" RELATED [ChemIDplus] synonym: "orsellinic acid" RELATED [ChEBI] synonym: "Orsellinsaeure" RELATED [ChEBI] xref: Beilstein:2211027 {source="Beilstein"} xref: CAS:480-64-8 {source="KEGG COMPOUND"} xref: CAS:480-64-8 {source="ChemIDplus"} xref: KEGG:C01839 xref: KNApSAcK:C00000487 xref: LINCS:LSM-20972 xref: LIPID_MAPS_instance:LMPK13010001 {source="LIPID MAPS"} xref: MetaCyc:CPD-47 xref: PDBeChem:6X7 xref: PMID:13869400 {source="Europe PMC"} xref: PMID:19666480 {source="Europe PMC"} xref: PMID:20174687 {source="Europe PMC"} xref: PMID:20630753 {source="Europe PMC"} xref: PMID:21879714 {source="Europe PMC"} xref: PMID:25537370 {source="Europe PMC"} xref: PMID:4399350 {source="Europe PMC"} xref: PMID:5311576 {source="Europe PMC"} xref: Reaxys:2211027 {source="Reaxys"} xref: Wikipedia:Orsellinic_acid is_a: CHEBI:23778 ! dihydroxybenzoic acid is_a: CHEBI:33572 ! resorcinols relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:76946 ! fungal metabolite relationship: is_conjugate_acid_of CHEBI:16162 ! o-orsellinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMKYESDOVDKZKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C(O)=O)C(O)=CC(O)=C1" xsd:string [Term] id: CHEBI:32851 name: L-valinate namespace: chebi_ontology def: "The L-enantiomer of valinate." [] subset: 3_STAR synonym: "(2S)-2-amino-3-methylbutanoate" RELATED [IUPAC] synonym: "L-valinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-valine anion" RELATED [JCBN] xref: Beilstein:3933569 {source="Beilstein"} xref: Gmelin:325409 {source="Gmelin"} is_a: CHEBI:32859 ! valinate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:16414 ! L-valine relationship: is_enantiomer_of CHEBI:32855 ! D-valinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32852 name: L-valinium namespace: chebi_ontology def: "The L-enantiomer of valinium." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-methylpropan-1-aminium" RELATED [IUPAC] synonym: "L-valine cation" RELATED [JCBN] synonym: "L-valinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32860 ! valinium relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:16414 ! L-valine relationship: is_enantiomer_of CHEBI:32856 ! D-valinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-BYPYZUCNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.15432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32855 name: D-valinate namespace: chebi_ontology def: "The D-enantiomer of valinate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-methylbutanoate" RELATED [IUPAC] synonym: "D-valinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-valine anion" RELATED [JCBN] xref: Gmelin:325408 {source="Gmelin"} is_a: CHEBI:32859 ! valinate relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:27477 ! D-valine relationship: is_enantiomer_of CHEBI:32851 ! L-valinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-SCSAIBSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:32856 name: D-valinium namespace: chebi_ontology def: "The D-enantiomer of valinium." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-methylpropan-1-aminium" RELATED [IUPAC] synonym: "D-valine cation" RELATED [JCBN] synonym: "D-valinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32860 ! valinium relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:27477 ! D-valine relationship: is_enantiomer_of CHEBI:32852 ! L-valinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-SCSAIBSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.15432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@@H]([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32859 name: valinate namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-methylbutanoate" RELATED [IUPAC] synonym: "val(-)" RELATED [IUPAC] synonym: "valinate" EXACT IUPAC_NAME [IUPAC] synonym: "valine anion" RELATED [JCBN] xref: Gmelin:49876 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63471 ! branched-chain amino-acid anion relationship: is_conjugate_base_of CHEBI:27266 ! valine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(N)C([O-])=O" xsd:string [Term] id: CHEBI:32860 name: valinium namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxy-2-methylpropan-1-aminium" RELATED [IUPAC] synonym: "H2val(+)" RELATED [IUPAC] synonym: "valine cation" RELATED [JCBN] synonym: "valinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1651060 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:27266 ! valine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.15432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C([NH3+])C(O)=O" xsd:string [Term] id: CHEBI:32862 name: L-prolinate namespace: chebi_ontology def: "An optically active form of prolinate having L-configuration." [] subset: 3_STAR synonym: "(2S)-pyrrolidine-2-carboxylate" RELATED [IUPAC] synonym: "L-prolinate" EXACT IUPAC_NAME [IUPAC] synonym: "L-proline anion" RELATED [JCBN] xref: Beilstein:4307988 {source="Beilstein"} xref: Gmelin:82610 {source="Gmelin"} xref: Reaxys:4307988 {source="Reaxys"} is_a: CHEBI:32871 ! prolinate is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17203 ! L-proline relationship: is_enantiomer_of CHEBI:32867 ! D-prolinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-BYPYZUCNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.12250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.05605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]1CCCN1" xsd:string [Term] id: CHEBI:32863 name: secondary amine namespace: chebi_ontology alt_id: CHEBI:26618 alt_id: CHEBI:9078 def: "A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "R2NH" RELATED [IUPAC] synonym: "Secondary amine" EXACT [KEGG_COMPOUND] synonym: "secondary amines" EXACT IUPAC_NAME [IUPAC] synonym: "sekundaeres Amin" RELATED [ChEBI] xref: KEGG:C02324 is_a: CHEBI:32952 ! amine is_a: CHEBI:50995 ! secondary amino compound relationship: is_conjugate_base_of CHEBI:137419 ! secondary ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.01460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([*])[*]" xsd:string [Term] id: CHEBI:32864 name: L-prolinium namespace: chebi_ontology def: "An optically active form of prolinium having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-carboxypyrrolidinium" RELATED [IUPAC] synonym: "L-proline cation" RELATED [JCBN] synonym: "L-prolinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:363493 {source="Gmelin"} is_a: CHEBI:32872 ! prolinium relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:17203 ! L-proline relationship: is_enantiomer_of CHEBI:32868 ! D-prolinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-BYPYZUCNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@@H]1CCC[NH2+]1" xsd:string [Term] id: CHEBI:32867 name: D-prolinate namespace: chebi_ontology def: "An optically active form of prolinate having D-configuration." [] subset: 3_STAR synonym: "(2R)-pyrrolidine-2-carboxylate" RELATED [IUPAC] synonym: "D-prolinate" EXACT IUPAC_NAME [IUPAC] synonym: "D-proline anion" RELATED [JCBN] xref: Gmelin:533350 {source="Gmelin"} is_a: CHEBI:32871 ! prolinate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16313 ! D-proline relationship: is_enantiomer_of CHEBI:32862 ! L-prolinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-SCSAIBSYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.12250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.05605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@H]1CCCN1" xsd:string [Term] id: CHEBI:32868 name: D-prolinium namespace: chebi_ontology def: "An optically active form of prolinium having D-configuration." [] subset: 3_STAR synonym: "(2R)-2-carboxypyrrolidinium" RELATED [IUPAC] synonym: "D-proline cation" RELATED [JCBN] synonym: "D-prolinium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:363492 {source="Gmelin"} is_a: CHEBI:32872 ! prolinium relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16313 ! D-proline relationship: is_enantiomer_of CHEBI:32864 ! L-prolinium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-SCSAIBSYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@H]1CCC[NH2+]1" xsd:string [Term] id: CHEBI:32871 name: prolinate namespace: chebi_ontology def: "An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "pro(-)" RELATED [IUPAC] synonym: "prolinate" EXACT IUPAC_NAME [IUPAC] synonym: "proline anion" RELATED [JCBN] synonym: "pyrrolidine-2-carboxylate" RELATED [IUPAC] xref: Beilstein:5387795 {source="Beilstein"} xref: Gmelin:50151 {source="Gmelin"} xref: Reaxys:5387795 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:26271 ! proline property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.12256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.05605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C1CCCN1" xsd:string [Term] id: CHEBI:32872 name: prolinium namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group." [] subset: 3_STAR synonym: "2-carboxypyrrolidinium" RELATED [IUPAC] synonym: "H2pro(+)" RELATED [IUPAC] synonym: "proline cation" RELATED [JCBN] synonym: "prolinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:26271 ! proline property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.13840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1CCC[NH2+]1" xsd:string [Term] id: CHEBI:32876 name: tertiary amine namespace: chebi_ontology alt_id: CHEBI:26879 alt_id: CHEBI:9458 def: "A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "R3N" RELATED [IUPAC] synonym: "tertiaeres Amin" RELATED [ChEBI] synonym: "Tertiary amine" EXACT [KEGG_COMPOUND] synonym: "tertiary amines" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02196 is_a: CHEBI:32952 ! amine is_a: CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])[*]" xsd:string [Term] id: CHEBI:32877 name: primary amine namespace: chebi_ontology alt_id: CHEBI:26263 alt_id: CHEBI:26265 alt_id: CHEBI:8407 alt_id: CHEBI:8409 def: "A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group." [] subset: 3_STAR synonym: "primaeres Amin" RELATED [ChEBI] synonym: "Primary amine" EXACT [KEGG_COMPOUND] synonym: "primary amines" EXACT IUPAC_NAME [IUPAC] synonym: "Primary monoamine" RELATED [KEGG_COMPOUND] synonym: "R-NH2" RELATED [IUPAC] synonym: "RCH2NH2" RELATED [KEGG_COMPOUND] xref: KEGG:C00375 xref: KEGG:C00893 xref: KEGG:C02580 is_a: CHEBI:32952 ! amine is_a: CHEBI:50994 ! primary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.02260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[*]" xsd:string [Term] id: CHEBI:32878 name: alkene namespace: chebi_ontology alt_id: CHEBI:22320 alt_id: CHEBI:2581 def: "An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc." [] subset: 3_STAR synonym: "Alkene" EXACT [KEGG_COMPOUND] synonym: "alkenes" RELATED [ChEBI] synonym: "olefin" RELATED [ChEBI] xref: KEGG:C01372 is_a: CHEBI:33645 ! acyclic olefin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.037" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.01565" xsd:string [Term] id: CHEBI:32879 name: propane namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): propellant. subset: 3_STAR synonym: "CH3-CH2-CH3" RELATED [IUPAC] synonym: "E944" RELATED [ChEBI] synonym: "Propan" RELATED [ChEBI] synonym: "propane" EXACT IUPAC_NAME [IUPAC] synonym: "propane" EXACT [UniProt] xref: Beilstein:1730718 {source="Beilstein"} xref: CAS:74-98-6 {source="NIST Chemistry WebBook"} xref: CAS:74-98-6 {source="ChemIDplus"} xref: Codex:\:944 xref: Europe:\:944 xref: Gmelin:25044 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B4446 is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:78017 ! food propellant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATUOYWHBWRKTHZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.09562" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC" xsd:string property_value: IAO:0000118 "propane" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:32881 name: pentan-3-yl group namespace: chebi_ontology subset: 3_STAR synonym: "(CH3-CH2)2CH-" RELATED [IUPAC] synonym: "1-ethylpropyl" RELATED [IUPAC] synonym: "pentan-3-yl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22323 ! alkyl group relationship: is_substituent_group_from CHEBI:37830 ! pentane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.14084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.08608" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(CC)*" xsd:string [Term] id: CHEBI:32888 name: gamma-hexachlorocyclohexane namespace: chebi_ontology alt_id: CHEBI:10567 alt_id: CHEBI:24184 alt_id: CHEBI:6473 subset: 3_STAR synonym: "(1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [NIST_Chemistry_WebBook] synonym: "(1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [IUPAC] synonym: "(1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,3,4,5,6-Hexachlorocyclohexane" RELATED [KEGG_COMPOUND] synonym: "Benzene hexachloride" RELATED [KEGG_COMPOUND] synonym: "gamma-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-benzene hexachloride" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-BHC" RELATED [KEGG_COMPOUND] synonym: "gamma-BHC" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-HCH" RELATED [NIST_Chemistry_WebBook] synonym: "gamma-HCH" RELATED [ChEBI] synonym: "gamma-Hexachlorocyclohexane" EXACT [KEGG_COMPOUND] synonym: "gamma-hexachlorocyclohexane" EXACT [NIST_Chemistry_WebBook] synonym: "gamma-hexachlorocyclohexane" EXACT [UniProt] synonym: "gamma-Hexachlorzyklohexan" RELATED [ChEBI] synonym: "gamma-lindane" RELATED [NIST_Chemistry_WebBook] synonym: "Kwell" RELATED [NIST_Chemistry_WebBook] synonym: "Lindan" RELATED [ChEBI] synonym: "Lindane" RELATED [KEGG_COMPOUND] xref: Beilstein:1907337 {source="Beilstein"} xref: CAS:55963-79-6 {source="NIST Chemistry WebBook"} xref: CAS:58-89-9 {source="ChemIDplus"} xref: CAS:58-89-9 {source="KEGG COMPOUND"} xref: CAS:58-89-9 {source="NIST Chemistry WebBook"} xref: Drug_Central:1583 {source="DrugCentral"} xref: DrugBank:DB00431 xref: Gmelin:2179629 {source="Gmelin"} xref: KEGG:C06595 xref: KEGG:C07075 xref: KEGG:D00360 xref: PPDB:370 xref: UM-BBD_compID:c0141 {source="UM-BBD"} xref: VSDB:370 xref: Wikipedia:Lindane is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide is_a: CHEBI:24536 ! hexachlorocyclohexane relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33288 ! rodenticide relationship: has_role CHEBI:38706 ! pediculicide relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYXXMFPNIAWKQ-GNIYUCBRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.82804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.86007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl" xsd:string [Term] id: CHEBI:32892 name: nonane namespace: chebi_ontology def: "A straight chain alkane composed of 9 carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]7-CH3" RELATED [IUPAC] synonym: "n-nonane" RELATED [NIST_Chemistry_WebBook] synonym: "Nonan" RELATED [ChEBI] synonym: "nonane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1696917 {source="Beilstein"} xref: CAS:111-84-2 {source="ChemIDplus"} xref: CAS:111-84-2 {source="NIST Chemistry WebBook"} xref: Gmelin:240576 {source="Gmelin"} xref: HMDB:HMDB0029595 xref: KNApSAcK:C00034882 xref: LIPID_MAPS_instance:LMFA11000579 {source="LIPID MAPS"} xref: PMID:23822267 {source="Europe PMC"} xref: Reaxys:1696917 {source="Reaxys"} is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:27311 ! volatile oil component property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H20" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKIMMITUMNQMOS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.25510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.15650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCC" xsd:string [Term] id: CHEBI:32898 name: baccatin III namespace: chebi_ontology alt_id: CHEBI:13870 alt_id: CHEBI:29546 def: "A tetracyclic diterpenoid isolated from plant species of the genus Taxus." [] subset: 3_STAR synonym: "5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "[2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one" RELATED [ChemIDplus] synonym: "Baccatin III" EXACT [KEGG_COMPOUND] synonym: "baccatin III" EXACT [UniProt] xref: Beilstein:1445625 {source="Beilstein"} xref: CAS:27548-93-2 {source="ChemIDplus"} xref: CAS:27548-93-2 {source="KEGG COMPOUND"} xref: KEGG:C11900 xref: PMID:23265441 {source="Europe PMC"} xref: PMID:24403190 {source="Europe PMC"} xref: PMID:24696551 {source="Europe PMC"} xref: Reaxys:1445625 {source="Reaxys"} xref: Wikipedia:Baccatin_III is_a: CHEBI:36054 ! benzoate ester is_a: CHEBI:47622 ! acetate ester is_a: CHEBI:52557 ! tetracyclic diterpenoid relationship: has_parent_hydride CHEBI:36064 ! taxane relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C31H38O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVMSOCFBDVBLFW-VHLOTGQHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "586.62682" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "586.24141" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C" xsd:string [Term] id: CHEBI:32952 name: amine namespace: chebi_ontology alt_id: CHEBI:13814 alt_id: CHEBI:22474 alt_id: CHEBI:2641 def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups." [] subset: 3_STAR synonym: "Amin" RELATED [ChEBI] synonym: "Amine" EXACT [KEGG_COMPOUND] synonym: "amines" EXACT IUPAC_NAME [IUPAC] synonym: "Substituted amine" RELATED [KEGG_COMPOUND] xref: KEGG:C00706 is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:32955 name: epoxide namespace: chebi_ontology alt_id: CHEBI:13828 alt_id: CHEBI:23930 alt_id: CHEBI:4812 def: "Any cyclic ether in which the oxygen atom forms part of a 3-membered ring." [] subset: 3_STAR synonym: "Alkene oxide" RELATED [KEGG_COMPOUND] synonym: "an epoxide" RELATED [UniProt] synonym: "Epoxide" EXACT [KEGG_COMPOUND] synonym: "epoxides" EXACT IUPAC_NAME [IUPAC] synonym: "epoxides" RELATED [ChEBI] synonym: "Olefin oxide" RELATED [KEGG_COMPOUND] xref: KEGG:C00722 xref: PMID:10891060 {source="Europe PMC"} xref: Wikipedia:Epoxide is_a: CHEBI:37407 ! cyclic ether relationship: has_parent_hydride CHEBI:27561 ! oxirane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2OR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.02080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C1([*])OC1([*])[*]" xsd:string [Term] id: CHEBI:32957 name: lysophosphatidic acids namespace: chebi_ontology def: "Any monoacylglycerol phosphate obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid or derivatives therein." [] subset: 3_STAR xref: Wikipedia:Lysophosphatidic_acid is_a: CHEBI:16961 ! monoacylglycerol phosphate [Term] id: CHEBI:32988 name: amide namespace: chebi_ontology alt_id: CHEBI:22473 alt_id: CHEBI:2633 def: "An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "Amide" EXACT [KEGG_COMPOUND] synonym: "amides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00241 is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33017 name: diphosphate(1-) namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid." [] subset: 3_STAR synonym: "H3P2O7(-)" RELATED [IUPAC] synonym: "trihydrogen diphosphate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:185086 {source="Gmelin"} is_a: CHEBI:35782 ! diphosphate ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:45212 ! diphosphate(2-) relationship: is_conjugate_base_of CHEBI:29888 ! diphosphoric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPPKVPWEQAFLFU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.96714" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.93595" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)OP(O)([O-])=O" xsd:string [Term] id: CHEBI:33019 name: diphosphate(3-) namespace: chebi_ontology def: "A trivalent inorganic anion obtained by removal of all three protons from diphosphoric acid." [] subset: 3_STAR synonym: "diphosphate" RELATED [UniProt] synonym: "HP2O7(3-)" RELATED [IUPAC] synonym: "hydrogen diphosphate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:185088 {source="Beilstein"} is_a: CHEBI:35782 ! diphosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:18361 ! diphosphate(4-) relationship: is_conjugate_base_of CHEBI:45212 ! diphosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPPKVPWEQAFLFU-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.95126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.92140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])(=O)OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:33038 name: chromyl dichloride namespace: chebi_ontology subset: 3_STAR synonym: "(T-4)-dichlorodioxochromium" RELATED [ChemIDplus] synonym: "[CrCl2O2]" RELATED [MolBase] synonym: "chromium dichloride dioxide" RELATED [IUPAC] synonym: "chromium(VI) dioxychloride" RELATED [ChemIDplus] synonym: "chromyl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "chromyl dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "dichloridodioxidochromium" EXACT IUPAC_NAME [IUPAC] synonym: "dichlorodioxochromium" RELATED [NIST_Chemistry_WebBook] synonym: "dioxodichlorochromium" RELATED [NIST_Chemistry_WebBook] xref: CAS:14977-61-8 {source="NIST Chemistry WebBook"} xref: CAS:14977-61-8 {source="ChemIDplus"} xref: Gmelin:2231 {source="Gmelin"} xref: MolBase:620 is_a: CHEBI:35403 ! chromium coordination entity relationship: has_functional_parent CHEBI:33143 ! chromic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2CrO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHXGRMIPHCAXFP-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.90030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.86804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[Cr](Cl)(=O)=O" xsd:string [Term] id: CHEBI:33070 name: indole-3-butyric acid namespace: chebi_ontology alt_id: CHEBI:24806 alt_id: CHEBI:39986 alt_id: CHEBI:5914 def: "A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1." [] subset: 3_STAR synonym: "1H-indole-3-butanoic acid" RELATED [ChemIDplus] synonym: "3-INDOLEBUTYRIC ACID" RELATED [PDBeChem] synonym: "3-indolyl-gamma-butyric acid" RELATED [ChemIDplus] synonym: "4-(1H-indol-3-yl)butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-(indol-3-yl)butyric acid" RELATED [ChemIDplus] synonym: "4-indol-3-ylbutyric acid" RELATED [ChemIDplus] synonym: "IBA" RELATED [ChemIDplus] synonym: "IBA" RELATED [KEGG_COMPOUND] synonym: "indole-3-butanoic acid" RELATED [ChemIDplus] synonym: "Indole-3-butyric acid" EXACT [KEGG_COMPOUND] synonym: "indole-3-butyric acid" EXACT [ChemIDplus] synonym: "Indolebutyric acid" RELATED [KEGG_COMPOUND] synonym: "Seradix" RELATED [ChemIDplus] xref: Beilstein:171120 {source="Beilstein"} xref: BPDB:1465 xref: CAS:133-32-4 {source="KEGG COMPOUND"} xref: CAS:133-32-4 {source="ChemIDplus"} xref: DrugBank:DB02740 xref: Gmelin:143637 {source="Gmelin"} xref: HMDB:HMDB0002096 xref: KEGG:C11284 xref: KNApSAcK:C00000116 xref: PDBeChem:3IB xref: PMID:23201417 {source="Europe PMC"} xref: PMID:23795714 {source="Europe PMC"} xref: Reaxys:171120 {source="Reaxys"} xref: Wikipedia:Indole-3-butyric_acid is_a: CHEBI:24810 ! indol-3-yl carboxylic acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: has_role CHEBI:22676 ! auxin relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:143274 ! indole-3-butyrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JTEDVYBZBROSJT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "203.23710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "203.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCc1c[nH]c2ccccc12" xsd:string [Term] id: CHEBI:33093 name: boron trifluoride namespace: chebi_ontology subset: 3_STAR synonym: "[BF3]" RELATED [IUPAC] synonym: "BF3" RELATED [IUPAC] synonym: "boron fluoride" RELATED [NIST_Chemistry_WebBook] synonym: "boron trifluoride" EXACT IUPAC_NAME [IUPAC] synonym: "Bortrifluorid" RELATED [ChEBI] synonym: "trifluoridoboron" EXACT IUPAC_NAME [IUPAC] synonym: "trifluoroborane" EXACT IUPAC_NAME [IUPAC] synonym: "trifluoroboron" RELATED [NIST_Chemistry_WebBook] xref: CAS:7637-07-2 {source="ChemIDplus"} xref: CAS:7637-07-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1519 {source="Gmelin"} is_a: CHEBI:38901 ! boron fluoride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BF3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BF3/c2-1(3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTEOIRVLGSZEPR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.80621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.00451" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FB(F)F" xsd:string [Term] id: CHEBI:33098 name: 2-nitrotoluene namespace: chebi_ontology def: "A mononitrotoluene that is toluene carrying a nitro substituent at position 2." [] subset: 3_STAR synonym: "1-methyl-2-nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2-methyl-1-nitrobenzene" RELATED [ChemIDplus] synonym: "2-nitrotoluene" EXACT [UniProt] synonym: "2-Nitrotoluol" RELATED [ChemIDplus] synonym: "o-methylnitrobenzene" RELATED [ChemIDplus] synonym: "o-nitrotoluene" RELATED [ChemIDplus] synonym: "o-Nitrotoluol" RELATED [ChEBI] synonym: "ONT" RELATED [NIST_Chemistry_WebBook] synonym: "ortho-Nitrotoluol" RELATED [ChemIDplus] xref: CAS:88-72-2 {source="ChemIDplus"} xref: CAS:88-72-2 {source="NIST Chemistry WebBook"} xref: CAS:88-72-2 {source="KEGG COMPOUND"} xref: KEGG:C19597 xref: MetaCyc:2-NITROTOLUENE xref: PMID:20582618 {source="Europe PMC"} xref: PMID:21432561 {source="Europe PMC"} xref: PMID:23153775 {source="Europe PMC"} xref: PMID:7944378 {source="Europe PMC"} xref: Reaxys:1907580 {source="Reaxys"} xref: Wikipedia:2-Nitrotoluene is_a: CHEBI:63171 ! mononitrotoluene relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PLAZTCDQAHEYBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.13600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:33101 name: nitrogen dioxide namespace: chebi_ontology alt_id: CHEBI:29332 alt_id: CHEBI:29784 alt_id: CHEBI:39851 subset: 3_STAR synonym: "(NO2)(.)" RELATED [IUPAC] synonym: "[NO2]" RELATED [MolBase] synonym: "dioxidonitrogen(.)" EXACT IUPAC_NAME [IUPAC] synonym: "NITROGEN DIOXIDE" EXACT [PDBeChem] synonym: "nitrogen dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen(IV) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "nitrosooxidanyl" EXACT IUPAC_NAME [IUPAC] synonym: "nitryl" RELATED [IUPAC] synonym: "NO2" RELATED [ChEBI] synonym: "NO2(.)" RELATED [IUPAC] synonym: "ONO(.)" RELATED [IUPAC] synonym: "Stickstoffdioxid" RELATED [NIST_Chemistry_WebBook] xref: CAS:10102-44-0 {source="ChemIDplus"} xref: CAS:10102-44-0 {source="NIST Chemistry WebBook"} xref: Gmelin:976 {source="Gmelin"} xref: MolBase:939 xref: PDBeChem:2NO is_a: CHEBI:35196 ! nitrogen oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO2/c2-1-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JCXJVPUVTGWSNB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.00554" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.99290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[N]=O" xsd:string [Term] id: CHEBI:3311 name: calcium carbonate namespace: chebi_ontology def: "A calcium salt with formula CCaO3." [] comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, anticaking agent, stabilizer, surface colourant. subset: 3_STAR synonym: "CaCO3" RELATED [IUPAC] synonym: "Calcium carbonate" EXACT [KEGG_COMPOUND] synonym: "calcium carbonate" EXACT IUPAC_NAME [IUPAC] synonym: "calcium carbonate (1:1)" RELATED [ChemIDplus] synonym: "calcium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "Calciumcarbonat" RELATED [ChEBI] synonym: "carbonate de calcium" RELATED [ChEBI] synonym: "carbonato de calcio" RELATED [ChEBI] synonym: "carbonic acid calcium salt (1:1)" RELATED [ChemIDplus] synonym: "E 170" RELATED [ChEBI] synonym: "Kalziumkarbonat" RELATED [ChEBI] synonym: "kohlensaurer Kalk" RELATED [ChEBI] synonym: "Precipitated calcium carbonate" RELATED [KEGG_COMPOUND] xref: BPDB:108 xref: CAS:471-34-1 {source="ChemIDplus"} xref: CAS:471-34-1 {source="NIST Chemistry WebBook"} xref: CAS:471-34-1 {source="KEGG COMPOUND"} xref: Codex:\:170(i) xref: DrugBank:DB06724 xref: Europe:\:170 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3031 xref: KEGG:C08129 xref: KEGG:D00932 xref: PPDB:108 xref: Reaxys:8008338 {source="Reaxys"} xref: Wikipedia:Calcium_carbonate is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:35156 ! calcium salt is_a: CHEBI:46721 ! carbonate salt is_a: CHEBI:64708 ! one-carbon compound is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:33287 ! fertilizer relationship: has_role CHEBI:65265 ! antacid relationship: has_role CHEBI:77182 ! food colouring relationship: has_role CHEBI:77960 ! food firming agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTYYLEPIZMXCLO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.087" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.94733" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca+2].C(=O)([O-])[O-]" xsd:string property_value: IAO:0000118 "calcium carbonate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33127 name: sulfadiazinate namespace: chebi_ontology subset: 3_STAR synonym: "[(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4148387 {source="Beilstein"} xref: Gmelin:332468 {source="Gmelin"} is_a: CHEBI:50335 ! organic nitrogen anion relationship: is_conjugate_base_of CHEBI:9328 ! sulfadiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9N4O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SEJJCMKIFGUACV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.26900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.04517" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1" xsd:string [Term] id: CHEBI:33135 name: pyrrolidine namespace: chebi_ontology def: "A cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compound of the pyrrolidine family." [] subset: 3_STAR synonym: "1-azacyclopentane" RELATED [ChemIDplus] synonym: "azacyclopentane" RELATED [ChemIDplus] synonym: "azolidine" RELATED [ChemIDplus] synonym: "butylenimine" RELATED [ChemIDplus] synonym: "perhydropyrrole" RELATED [ChemIDplus] synonym: "prolamine" RELATED [ChemIDplus] synonym: "pyrrolidine" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydropyrrole" RELATED [ChemIDplus] synonym: "tetramethylenimine" RELATED [ChemIDplus] xref: Beilstein:102395 {source="Beilstein"} xref: CAS:123-75-1 {source="ChemIDplus"} xref: CAS:123-75-1 {source="NIST Chemistry WebBook"} xref: Chemspider:29008 xref: FooDB:FDB007401 xref: Gmelin:1704 {source="Gmelin"} xref: HMDB:HMDB0031641 xref: PDBeChem:VES xref: PMID:1221030 {source="Europe PMC"} xref: PMID:18838771 {source="Europe PMC"} xref: PMID:20024446 {source="Europe PMC"} is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37949 ! azacycloalkane is_a: CHEBI:38260 ! pyrrolidines relationship: is_conjugate_base_of CHEBI:52145 ! pyrrolidinium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWRDLPDLKQPQOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCNC1" xsd:string [Term] id: CHEBI:33140 name: pyrazolium namespace: chebi_ontology subset: 3_STAR synonym: "1H-pyrazol-2-ium" EXACT IUPAC_NAME [IUPAC] synonym: "H2pz(+)" RELATED [IUPAC] xref: Beilstein:1560992 {source="Beilstein"} xref: Beilstein:6917432 {source="Beilstein"} xref: Gmelin:323116 {source="Gmelin"} is_a: CHEBI:38179 ! monocyclic heteroarene relationship: is_conjugate_acid_of CHEBI:17241 ! 1H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTKZEGDFNFYCGP-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.08528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.04472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1c[nH][nH+]c1" xsd:string [Term] id: CHEBI:33143 name: chromic acid namespace: chebi_ontology subset: 3_STAR synonym: "[CrO2(OH)2]" RELATED [ChEBI] synonym: "chromic acid" EXACT [ChemIDplus] synonym: "chromic(VI) acid" RELATED [ChemIDplus] synonym: "dihydrogen(tetraaoxidochromate)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidochromium" EXACT IUPAC_NAME [IUPAC] synonym: "H2CrO4" RELATED [IUPAC] synonym: "tetraoxochromic acid" RELATED [IUPAC] xref: CAS:7738-94-5 {source="ChemIDplus"} xref: Gmelin:25982 {source="Gmelin"} is_a: CHEBI:35401 ! chromium oxoacid relationship: has_role CHEBI:63248 ! oxidising agent relationship: is_conjugate_acid_of CHEBI:33144 ! hydrogenchromate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CrH2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRVSOGSZCMJSLX-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.00958" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.93582" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[Cr](=O)(=O)O[H]" xsd:string [Term] id: CHEBI:33144 name: hydrogenchromate namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in chromic acid." [] subset: 3_STAR synonym: "[CrO3(OH)](-)" RELATED [ChEBI] synonym: "HCrO4(-)" RELATED [IUPAC] synonym: "hydrogen chromate" RELATED [IUPAC] synonym: "hydrogen(tetraoxidochromate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidochromate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:81997 {source="Gmelin"} is_a: CHEBI:35402 ! chromium oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:35404 ! chromate(2-) relationship: is_conjugate_base_of CHEBI:33143 ! chromic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CrHO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr.H2O.3O/h;1H2;;;/q+1;;;;-1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNQOSLDJBAESSM-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.00164" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.92854" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[Cr]([O-])(=O)=O" xsd:string [Term] id: CHEBI:33173 name: benzimidazolide namespace: chebi_ontology subset: 3_STAR synonym: "benzimidazol-1-ide" EXACT IUPAC_NAME [IUPAC] synonym: "bim" RELATED [IUPAC] synonym: "bzim" RELATED [IUPAC] xref: Beilstein:3904522 {source="Beilstein"} xref: Gmelin:326519 {source="Gmelin"} is_a: CHEBI:50335 ! organic nitrogen anion relationship: is_conjugate_base_of CHEBI:41275 ! 1H-benzimidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLTWGRFNJPLFDA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.12808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.04582" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2[n-]cnc2c1" xsd:string [Term] id: CHEBI:33186 name: malononitrile namespace: chebi_ontology def: "A dinitrile that is methane substituted by two cyano groups." [] subset: 3_STAR synonym: "dicyanmethane" RELATED [ChemIDplus] synonym: "dicyanomethane" RELATED [NIST_Chemistry_WebBook] synonym: "malononitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Malonsaeuredinitril" RELATED [ChEBI] synonym: "propanedinitrile" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:773697 {source="Beilstein"} xref: CAS:109-77-3 {source="ChemIDplus"} xref: CAS:109-77-3 {source="NIST Chemistry WebBook"} xref: Gmelin:1303 {source="Gmelin"} xref: PMID:24683341 {source="Europe PMC"} xref: Reaxys:773697 {source="Reaxys"} xref: Wikipedia:Malononitrile is_a: CHEBI:51308 ! dinitrile is_a: CHEBI:80291 ! aliphatic nitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CUONGYYJJVDODC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "66.06140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "66.02180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#CCC#N" xsd:string [Term] id: CHEBI:33187 name: oxomalononitrile namespace: chebi_ontology subset: 3_STAR synonym: "carbonyl dicyanide" EXACT IUPAC_NAME [IUPAC] synonym: "mesoxalonitrile" RELATED [ChemIDplus] synonym: "NC-CO-CN" RELATED [IUPAC] synonym: "oxomalononitrile" EXACT [IUPAC] synonym: "oxopropanedinitrile" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1699394 {source="Beilstein"} xref: CAS:1115-12-4 {source="ChemIDplus"} xref: CAS:1115-12-4 {source="NIST Chemistry WebBook"} xref: Gmelin:217598 {source="Gmelin"} is_a: CHEBI:51852 ! alpha-ketonitrile relationship: has_functional_parent CHEBI:33186 ! malononitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3N2O/c4-1-3(6)2-5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JSGHQDAEHDRLOI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.04498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.00106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(C#N)C#N" xsd:string [Term] id: CHEBI:33189 name: hydrazonomalononitrile namespace: chebi_ontology subset: 3_STAR synonym: "carbonohydrazonoyl dicyanide" EXACT IUPAC_NAME [IUPAC] synonym: "NC-C(=NNH2)-CN" RELATED [IUPAC] xref: Beilstein:1903731 {source="Beilstein"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:38532 ! hydrazone relationship: has_functional_parent CHEBI:33187 ! oxomalononitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2N4/c4-1-3(2-5)7-6/h6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NYVGCXQGEYONIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.07494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.02795" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NN=C(C#N)C#N" xsd:string [Term] id: CHEBI:33202 name: 2-thiobarbituric acid namespace: chebi_ontology def: "A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur." [] subset: 3_STAR synonym: "2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-thioxodihydropyrimidine-4,6(1H,5H)-dione" RELATED [IUPAC] synonym: "dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione" RELATED [ChemIDplus] synonym: "thiobarbituric acid" RELATED [ChemIDplus] xref: Beilstein:120663 {source="Beilstein"} xref: CAS:504-17-6 {source="ChemIDplus"} xref: Gmelin:101333 {source="Gmelin"} xref: PMID:18401456 {source="Europe PMC"} xref: PMID:22467201 {source="Europe PMC"} xref: PMID:22506924 {source="Europe PMC"} xref: PMID:23411186 {source="Europe PMC"} xref: PMID:23523734 {source="Europe PMC"} xref: PMID:23792287 {source="Europe PMC"} xref: PMID:23832025 {source="Europe PMC"} xref: PMID:23896130 {source="Europe PMC"} xref: PMID:3654008 {source="Europe PMC"} xref: Reaxys:120663 {source="Reaxys"} xref: Wikipedia:Thiobarbituric_acid is_a: CHEBI:22693 ! barbiturates relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RVBUGGBMJDPOST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.15284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.99935" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CC(=O)NC(=S)N1" xsd:string [Term] id: CHEBI:33216 name: bisphenol A namespace: chebi_ontology alt_id: CHEBI:22900 alt_id: CHEBI:31295 alt_id: CHEBI:47094 def: "A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups." [] subset: 3_STAR synonym: "2, 2-Bis(4-hydroxyphenyl)propane" RELATED [HMDB] synonym: "2,2-Bis(4'-hydroxyphenyl)propane" RELATED [HMDB] synonym: "2,2-Bis(4-Hydroxyphenyl)propane" RELATED [KEGG_COMPOUND] synonym: "2,2-Bis(p-hydroxyphenyl)propane" RELATED [ChemIDplus] synonym: "2,2-Di(4-hydroxyphenyl)propane" RELATED [ChemIDplus] synonym: "2,2-Di(4-phenylol)propane" RELATED [ChemIDplus] synonym: "4,4'-(1-Methylethane-1,1-diyl)diphenol" RELATED [HMDB] synonym: "4,4'-(1-Methylethylidene)bisphenol" RELATED [ChemIDplus] synonym: "4,4'-(Propane-2,2-diyl)diphenol" RELATED [HMDB] synonym: "4,4'-(propane-2,2-diyl)diphenol" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Bisphenol A" RELATED [ChemIDplus] synonym: "4,4'-Isopropylidenediphenol" RELATED [ChemIDplus] synonym: "Bisphenol A" EXACT [KEGG_COMPOUND] synonym: "bisphenol A" EXACT [UniProt] synonym: "bisphenol-A" RELATED [ChEBI] synonym: "BPA" RELATED [HMDB] synonym: "Dianin's compound" RELATED [ChEBI] xref: CAS:80-05-7 {source="NIST Chemistry WebBook"} xref: CAS:80-05-7 {source="ChemIDplus"} xref: CAS:80-05-7 {source="KEGG COMPOUND"} xref: DrugBank:DB06973 xref: HMDB:HMDB0032133 xref: KEGG:C13624 xref: LINCS:LSM-37080 xref: PDBeChem:2OH xref: PMID:10593191 {source="Europe PMC"} xref: PMID:11361040 {source="Europe PMC"} xref: PMID:12860292 {source="Europe PMC"} xref: PMID:15936980 {source="Europe PMC"} xref: PMID:16904728 {source="Europe PMC"} xref: PMID:24471646 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PMID:25148994 {source="Europe PMC"} xref: PMID:25524584 {source="Europe PMC"} xref: PMID:25569640 {source="Europe PMC"} xref: PMID:25637671 {source="Europe PMC"} xref: PMID:25663485 {source="Europe PMC"} xref: Reaxys:1107700 {source="Reaxys"} xref: UM-BBD_compID:c0764 {source="UM-BBD"} xref: Wikipedia:Bisphenol_A is_a: CHEBI:22901 ! bisphenol relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:76988 ! xenoestrogen relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IISBACLAFKSPIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.291" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1" xsd:string [Term] id: CHEBI:33217 name: 3,3',5,5'-tetrabromobisphenol A namespace: chebi_ontology alt_id: CHEBI:19864 alt_id: CHEBI:32196 def: "A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant." [] subset: 3_STAR synonym: "2,2',6,6'-Tetrabromobisphenol A" RELATED [ChemIDplus] synonym: "2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane" RELATED [ChemIDplus] synonym: "3,3',5,5'-Tetrabromobisphenol A" EXACT [KEGG_COMPOUND] synonym: "4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)" RELATED [ChemIDplus] synonym: "4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol" RELATED [NIST_Chemistry_WebBook] synonym: "4,4'-(propane-2,2-diyl)bis(2,6-dibromophenol)" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Isopropylidenebis(2,6-dibromophenol)" RELATED [ChemIDplus] synonym: "Tetrabromobisphenol A" RELATED [KEGG_COMPOUND] synonym: "tetrabromobisphenol-A" RELATED [ChEBI] xref: CAS:79-94-7 {source="ChemIDplus"} xref: CAS:79-94-7 {source="KEGG COMPOUND"} xref: KEGG:C13620 xref: PMID:17784851 {source="Europe PMC"} xref: PMID:24060738 {source="Europe PMC"} xref: PMID:24709479 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: Reaxys:1889048 {source="Reaxys"} xref: UM-BBD_compID:c0763 {source="UM-BBD"} xref: Wikipedia:Tetrabromobisphenol_A is_a: CHEBI:172368 ! brominated flame retardant is_a: CHEBI:22931 ! bromobisphenol relationship: has_functional_parent CHEBI:33216 ! bisphenol A property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12Br4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEORPZCZECFIRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "543.87058" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "539.75708" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1" xsd:string [Term] id: CHEBI:33224 name: chromane namespace: chebi_ontology def: "A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3." [] subset: 3_STAR synonym: "3,4-dihydro-2H-1-benzopyran" RELATED [NIST_Chemistry_WebBook] synonym: "3,4-dihydro-2H-chromene" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-dihydrobenzo[b]pyran" RELATED [ChEBI] synonym: "Chroman" RELATED [NIST_Chemistry_WebBook] synonym: "chromane" EXACT [IUPAC] xref: Beilstein:116150 {source="Beilstein"} xref: CAS:493-08-3 {source="ChemIDplus"} xref: CAS:493-08-3 {source="NIST Chemistry WebBook"} xref: Gmelin:122981 {source="Gmelin"} xref: Reaxys:116150 {source="Reaxys"} is_a: CHEBI:23230 ! chromanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZWXIQHBIQLMPN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.17510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COc2ccccc2C1" xsd:string [Term] id: CHEBI:33229 name: vitamin (role) namespace: chebi_ontology alt_id: CHEBI:10004 alt_id: CHEBI:27305 def: "A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term \"vitamines\" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines." [] subset: 3_STAR synonym: "vitamin" RELATED [ChEBI] synonym: "vitamina" RELATED [ChEBI] synonym: "vitaminas" RELATED [ChEBI] synonym: "vitamine" RELATED [ChEBI] synonym: "vitamines" RELATED [ChEBI] synonym: "vitamins" RELATED [ChEBI] synonym: "vitaminum" RELATED [ChEBI] xref: Wikipedia:Vitamin is_a: CHEBI:27027 ! micronutrient is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:33231 name: antitubercular agent namespace: chebi_ontology def: "A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis." [] subset: 3_STAR synonym: "antitubercular" RELATED [ChEBI] synonym: "antitubercular agents" RELATED [ChEBI] synonym: "antitubercular drug" RELATED [ChEBI] synonym: "antitubercular drugs" RELATED [ChEBI] synonym: "tuberculostatic agent" RELATED [ChEBI] is_a: CHEBI:64912 ! antimycobacterial drug [Term] id: CHEBI:33232 name: application namespace: chebi_ontology def: "Intended use of the molecular entity or part thereof by humans." [] subset: 3_STAR is_a: BFO:0000023 ! role is_a: CHEBI:50906 ! role [Term] id: CHEBI:33233 name: fundamental particle namespace: chebi_ontology def: "A particle not known to have substructure." [] subset: 3_STAR synonym: "elementary particle" EXACT IUPAC_NAME [IUPAC] synonym: "elementary particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:33234 name: vitamin E namespace: chebi_ontology def: "Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen." [] subset: 3_STAR synonym: "vitamin E" EXACT [ChemIDplus] synonym: "vitamin E vitamer" RELATED [ChEBI] synonym: "vitamin E vitamers" RELATED [ChEBI] synonym: "vitamin-E" RELATED [ChEBI] synonym: "vitamins E" RELATED [ChEBI] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3753 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3784 xref: MetaCyc:Vitamin-E xref: PMID:33684201 {source="Europe PMC"} xref: PMID:33847203 {source="Europe PMC"} xref: PMID:33896432 {source="Europe PMC"} xref: PMID:34277234 {source="Europe PMC"} xref: PMID:34278890 {source="Europe PMC"} xref: PMID:7898412 {source="Europe PMC"} xref: PMID:7901680 {source="Europe PMC"} xref: Wikipedia:Vitamin_E is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:23229 ! chromanol is_a: FOODON:03413751 ! food supplements, vitamin substances (ec) relationship: has_functional_parent CHEBI:78631 ! chroman-6-ol relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:24020 ! fat-soluble vitamin (role) property_value: IAO:0000118 "d-alpha-tocopherol" xsd:string property_value: IAO:0000118 "vitamin e" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33238 name: monoatomic entity namespace: chebi_ontology def: "A monoatomic entity is a molecular entity consisting of a single atom." [] subset: 3_STAR synonym: "atomic entity" RELATED [ChEBI] synonym: "monoatomic entities" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33240 name: coordination entity namespace: chebi_ontology def: "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands)." [] subset: 3_STAR synonym: "coordination compounds" RELATED [ChEBI] synonym: "coordination entities" EXACT IUPAC_NAME [IUPAC] synonym: "coordination entity" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:33241 name: oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity relationship: has_functional_parent CHEBI:24833 ! oxoacid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33242 name: inorganic hydride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic hydrides" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33692 ! hydrides [Term] id: CHEBI:33245 name: organic fundamental parent namespace: chebi_ontology def: "An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system." [] subset: 3_STAR synonym: "organic fundamental parents" RELATED [ChEBI] synonym: "organic parent hydrides" RELATED [ChEBI] is_a: CHEBI:37175 ! organic hydride is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33246 name: inorganic group namespace: chebi_ontology def: "Any substituent group which does not contain carbon." [] subset: 3_STAR synonym: "inorganic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group [Term] id: CHEBI:33247 name: organic group namespace: chebi_ontology def: "Any substituent group or skeleton containing carbon." [] subset: 3_STAR synonym: "organic groups" RELATED [ChEBI] is_a: CHEBI:24433 ! group relationship: is_substituent_group_from CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33248 name: hydrocarbyl group namespace: chebi_ontology def: "A univalent group formed by removing a hydrogen atom from a hydrocarbon." [] subset: 3_STAR synonym: "groupe hydrocarbyle" RELATED [IUPAC] synonym: "grupo hidrocarbilo" RELATED [IUPAC] synonym: "grupos hidrocarbilo" RELATED [IUPAC] synonym: "hydrocarbyl group" EXACT [IUPAC] synonym: "hydrocarbyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33249 ! organyl group relationship: is_substituent_group_from CHEBI:24632 ! hydrocarbon [Term] id: CHEBI:33249 name: organyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom." [] subset: 3_STAR synonym: "groupe organyle" RELATED [IUPAC] synonym: "grupo organilo" RELATED [IUPAC] synonym: "grupos organilo" RELATED [IUPAC] synonym: "organyl group" EXACT IUPAC_NAME [IUPAC] synonym: "organyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51447 ! organic univalent group [Term] id: CHEBI:33250 name: atom namespace: chebi_ontology alt_id: CHEBI:22671 alt_id: CHEBI:23907 def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] subset: 3_STAR synonym: "atom" EXACT IUPAC_NAME [IUPAC] synonym: "atome" RELATED [IUPAC] synonym: "atomo" RELATED [IUPAC] synonym: "atoms" RELATED [ChEBI] synonym: "atomus" RELATED [ChEBI] synonym: "element" RELATED [ChEBI] synonym: "elements" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity relationship: has_part CHEBI:10545 ! electron relationship: has_part CHEBI:33252 ! atomic nucleus property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33252 name: atomic nucleus namespace: chebi_ontology def: "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." [] subset: 3_STAR synonym: "Atomkern" RELATED [ChEBI] synonym: "Kern" RELATED [ChEBI] synonym: "noyau" RELATED [IUPAC] synonym: "noyau atomique" RELATED [ChEBI] synonym: "nuclei" RELATED [ChEBI] synonym: "nucleo" RELATED [IUPAC] synonym: "nucleo atomico" RELATED [ChEBI] synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] synonym: "nucleus atomi" RELATED [ChEBI] is_a: CHEBI:36347 ! nuclear particle relationship: has_part CHEBI:33253 ! nucleon [Term] id: CHEBI:33253 name: nucleon namespace: chebi_ontology def: "Heavy nuclear particle: proton or neutron." [] subset: 3_STAR synonym: "nucleon" EXACT [IUPAC] synonym: "nucleon" EXACT IUPAC_NAME [IUPAC] synonym: "nucleons" RELATED [ChEBI] synonym: "Nukleon" RELATED [ChEBI] synonym: "Nukleonen" RELATED [ChEBI] is_a: CHEBI:36339 ! baryon is_a: CHEBI:36347 ! nuclear particle [Term] id: CHEBI:33255 name: alkylmercury compound namespace: chebi_ontology alt_id: CHEBI:22336 alt_id: CHEBI:2589 subset: 3_STAR synonym: "Alkylmercury" RELATED [KEGG_COMPOUND] synonym: "alkylmercury compounds" RELATED [ChEBI] synonym: "Alkylmercury ion" RELATED [KEGG_COMPOUND] synonym: "RHg+" RELATED [KEGG_COMPOUND] xref: KEGG:C01343 xref: KEGG:C01886 is_a: CHEBI:25706 ! organomercury compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HgR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.97064" xsd:string [Term] id: CHEBI:33256 name: primary amide namespace: chebi_ontology def: "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "primary amide" EXACT [IUPAC] synonym: "primary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33257 name: secondary amide namespace: chebi_ontology def: "A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group." [] subset: 3_STAR synonym: "secondary amide" EXACT IUPAC_NAME [IUPAC] synonym: "secondary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33259 name: elemental molecular entity namespace: chebi_ontology def: "A molecular entity all atoms of which have the same atomic number." [] subset: 3_STAR synonym: "homoatomic entity" RELATED [ChEBI] synonym: "homoatomic molecular entities" RELATED [ChEBI] synonym: "homoatomic molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity is_a: CHEBI:46662 ! mineral property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33260 name: elemental hydrogen is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33259 ! elemental molecular entity is_a: CHEBI:33608 ! hydrogen molecular entity [Term] id: CHEBI:33261 name: organosulfur compound namespace: chebi_ontology alt_id: CHEBI:23010 alt_id: CHEBI:25714 def: "An organosulfur compound is a compound containing at least one carbon-sulfur bond." [] subset: 3_STAR synonym: "organosulfur compound" EXACT [ChEBI] synonym: "organosulfur compounds" RELATED [ChEBI] xref: Wikipedia:Organosulfur_compounds is_a: CDNO:0000021 ! dietary sulfur is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36962 ! organochalcogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33262 name: elemental oxygen namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33263 name: diatomic oxygen namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33262 ! elemental oxygen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string [Term] id: CHEBI:33265 name: triatomic oxygen is_a: CHEBI:33262 ! elemental oxygen [Term] id: CHEBI:33266 name: diatomic nitrogen namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33267 ! elemental nitrogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "28.013" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00615" xsd:string [Term] id: CHEBI:33267 name: elemental nitrogen namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33465 ! elemental pnictogen is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:33273 name: polyatomic anion namespace: chebi_ontology def: "An anion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36358 ! polyatomic ion [Term] id: CHEBI:33280 name: molecular messenger namespace: chebi_ontology subset: 3_STAR synonym: "chemical messenger" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33281 name: antimicrobial agent namespace: chebi_ontology alt_id: CHEBI:22582 def: "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans." [] subset: 3_STAR synonym: "antibiotic" RELATED [ChEBI] synonym: "antibiotics" RELATED [ChEBI] synonym: "Antibiotika" RELATED [ChEBI] synonym: "Antibiotikum" RELATED [ChEBI] synonym: "antibiotique" RELATED [IUPAC] synonym: "antimicrobial" RELATED [ChEBI] synonym: "antimicrobial agents" RELATED [ChEBI] synonym: "antimicrobials" RELATED [ChEBI] synonym: "microbicide" RELATED [ChEBI] synonym: "microbicides" RELATED [ChEBI] xref: PMID:12964249 "Europe PMC" xref: PMID:12964249 {source="Europe PMC"} xref: PMID:22117953 "Europe PMC" xref: PMID:22117953 {source="Europe PMC"} xref: PMID:22439833 "Europe PMC" xref: PMID:22439833 {source="Europe PMC"} xref: PMID:22849268 "Europe PMC" xref: PMID:22849268 {source="Europe PMC"} xref: PMID:22849276 "Europe PMC" xref: PMID:22849276 {source="Europe PMC"} xref: PMID:22958833 "Europe PMC" xref: PMID:22958833 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:33282 name: antibacterial agent namespace: chebi_ontology def: "A substance (or active part thereof) that kills or slows the growth of bacteria." [] subset: 3_STAR synonym: "antibacterial agents" RELATED [ChEBI] synonym: "antibacterials" RELATED [ChEBI] synonym: "bactericide" RELATED [ChEBI] synonym: "bactericides" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:33284 name: nutrient namespace: chebi_ontology def: "A nutrient is a food component that an organism uses to survive and grow." [] subset: 3_STAR synonym: "nutrients" RELATED [ChEBI] is_a: CHEBI:78295 ! food component [Term] id: CHEBI:33285 name: heteroorganic entity namespace: chebi_ontology def: "A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms." [] subset: 3_STAR synonym: "heteroorganic entities" RELATED [ChEBI] synonym: "organoelement compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33286 name: agrochemical namespace: chebi_ontology def: "An agrochemical is a substance that is used in agriculture or horticulture." [] subset: 3_STAR synonym: "agrichemical" RELATED [ChEBI] synonym: "agrichemicals" RELATED [ChEBI] synonym: "agricultural chemicals" RELATED [ChEBI] synonym: "agrochemicals" RELATED [ChEBI] xref: Wikipedia:Agrochemical is_a: CHEBI:33232 ! application [Term] id: CHEBI:33287 name: fertilizer namespace: chebi_ontology def: "A fertilizer is any substance that is added to soil or water to assist the growth of plants." [] subset: 3_STAR synonym: "fertiliser" RELATED [ChEBI] synonym: "fertilizers" RELATED [ChEBI] is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:33288 name: rodenticide namespace: chebi_ontology def: "A substance used to destroy rodent pests." [] subset: 3_STAR synonym: "rodenticides" RELATED [ChEBI] xref: Wikipedia:Rodenticide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:33289 name: avicide namespace: chebi_ontology def: "A substance used to destroy bird pests (class Aves)." [] subset: 3_STAR synonym: "avicides" RELATED [ChEBI] xref: Wikipedia:Avicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:33290 name: food namespace: chebi_ontology def: "A physiological role played by any substance of either plant, animal or artificial origin which contains essential body nutrients that can be ingested by an organism to provide energy, promote growth, and maintain the processes of life." [] def: "Any material that can be ingested by an organism." [] subset: 3_STAR synonym: "food material" RELATED [ChEBI] synonym: "food materials" RELATED [ChEBI] synonym: "food role" RELATED [ChEBI] synonym: "foods" RELATED [ChEBI] synonym: "foodstuff" RELATED [ChEBI] synonym: "foodstuffs" RELATED [ChEBI] is_a: CHEBI:52211 ! physiological role relationship: has_part CHEBI:78295 ! food component property_value: GENEPIO:0000006 "food role" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33292 name: fuel namespace: chebi_ontology def: "An energy-rich substance that can be transformed with release of usable energy." [] subset: 3_STAR is_a: CHEBI:33232 ! application [Term] id: CHEBI:33295 name: diagnostic agent namespace: chebi_ontology def: "A substance administered to aid diagnosis of a disease." [] subset: 3_STAR synonym: "diagnostic aid" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:33296 name: alkali metal molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of an alkali metal." [] subset: 3_STAR synonym: "alkali metal molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22314 ! alkali metal atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33298 name: lithium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "lithium compounds" RELATED [ChEBI] synonym: "lithium molecular entities" RELATED [ChEBI] synonym: "lithium molecular entity" EXACT [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:30145 ! lithium atom [Term] id: CHEBI:33299 name: alkaline earth molecular entity namespace: chebi_ontology def: "An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal." [] subset: 3_STAR synonym: "alkaline earth compounds" RELATED [ChEBI] synonym: "alkaline earth molecular entities" RELATED [ChEBI] synonym: "alkaline earth molecular entity" EXACT [ChEBI] synonym: "alkaline-earth compounds" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:22313 ! alkaline earth metal atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33300 name: pnictogen namespace: chebi_ontology def: "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth." [] subset: 3_STAR synonym: "group 15 elements" RELATED [ChEBI] synonym: "group V elements" RELATED [ChEBI] synonym: "nitrogenoideos" RELATED [ChEBI] synonym: "nitrogenoides" RELATED [ChEBI] synonym: "pnictogene" RELATED [ChEBI] synonym: "pnictogenes" RELATED [ChEBI] synonym: "pnictogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33301 name: bismuth atom namespace: chebi_ontology subset: 3_STAR synonym: "83Bi" RELATED [IUPAC] synonym: "Bi" RELATED [IUPAC] synonym: "Bismut" RELATED [ChEBI] synonym: "bismuth" EXACT IUPAC_NAME [IUPAC] synonym: "bismuth" RELATED [ChEBI] synonym: "bismuto" RELATED [ChEBI] synonym: "Wismut" RELATED [ChEBI] xref: CAS:7440-69-9 {source="ChemIDplus"} xref: WebElements:Bi is_a: CHEBI:33300 ! pnictogen is_a: CHEBI:33521 ! metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Bi" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Bi" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JCXGWMGPZLAOME-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "208.98038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "208.98040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Bi]" xsd:string [Term] id: CHEBI:33302 name: pnictogen molecular entity namespace: chebi_ontology def: "A p-block molecular entity containing any pnictogen." [] subset: 3_STAR synonym: "pnictogen molecular entities" RELATED [ChEBI] synonym: "pnictogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33300 ! pnictogen property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33303 name: chalcogen namespace: chebi_ontology def: "Any p-block element belonging to the group 16 family of the periodic table." [] subset: 3_STAR synonym: "anfigeno" RELATED [ChEBI] synonym: "anfigenos" RELATED [ChEBI] synonym: "calcogeno" RELATED [ChEBI] synonym: "calcogenos" RELATED [ChEBI] synonym: "chalcogen" EXACT IUPAC_NAME [IUPAC] synonym: "chalcogene" RELATED [ChEBI] synonym: "chalcogenes" RELATED [ChEBI] synonym: "chalcogens" EXACT IUPAC_NAME [IUPAC] synonym: "Chalkogen" RELATED [ChEBI] synonym: "Chalkogene" RELATED [ChEBI] synonym: "group 16 elements" RELATED [ChEBI] synonym: "group VI elements" RELATED [ChEBI] xref: PMID:17084588 "Europe PMC" xref: PMID:17084588 {source="Europe PMC"} is_a: CHEBI:33560 ! p-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33304 name: chalcogen molecular entity namespace: chebi_ontology def: "Any p-block molecular entity containing a chalcogen." [] subset: 3_STAR synonym: "chalcogen compounds" RELATED [ChEBI] synonym: "chalcogen molecular entities" RELATED [ChEBI] synonym: "chalcogen molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33303 ! chalcogen property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33305 name: tellurium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "tellurium compounds" RELATED [ChEBI] synonym: "tellurium molecular entities" RELATED [ChEBI] synonym: "tellurium molecular entity" EXACT [ChEBI] is_a: CHEBI:33304 ! chalcogen molecular entity relationship: has_part CHEBI:30452 ! tellurium atom [Term] id: CHEBI:33306 name: carbon group element atom namespace: chebi_ontology subset: 3_STAR synonym: "carbon group element" RELATED [ChEBI] synonym: "carbon group elements" RELATED [ChEBI] synonym: "carbonoides" RELATED [ChEBI] synonym: "cristallogene" RELATED [ChEBI] synonym: "cristallogenes" RELATED [ChEBI] synonym: "group 14 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group IV elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33307 name: thiocarboxylic acid namespace: chebi_ontology def: "An organic acid in which one or both oxygens of a carboxy group have been replaced by divalent sulfur." [] subset: 3_STAR synonym: "carbothioic acids" EXACT IUPAC_NAME [IUPAC] synonym: "thiocarboxylic acid" EXACT [IUPAC] synonym: "thiocarboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "thiocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:64709 ! organic acid [Term] id: CHEBI:33308 name: carboxylic ester namespace: chebi_ontology alt_id: CHEBI:13204 alt_id: CHEBI:23028 alt_id: CHEBI:3408 def: "An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl." [] subset: 3_STAR synonym: "a carboxylic ester" RELATED [UniProt] synonym: "carboxylic acid esters" RELATED [ChEBI] synonym: "Carboxylic ester" EXACT [KEGG_COMPOUND] synonym: "carboxylic esters" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02391 xref: Wikipedia:Ester is_a: CHEBI:35701 ! ester is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)O[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33309 name: noble gas atom namespace: chebi_ontology subset: 3_STAR synonym: "Edelgas" RELATED [ChEBI] synonym: "Edelgase" RELATED [ChEBI] synonym: "gas noble" RELATED [ChEBI] synonym: "gases nobles" RELATED [ChEBI] synonym: "gaz noble" RELATED [ChEBI] synonym: "gaz nobles" RELATED [ChEBI] synonym: "group 18 elements" RELATED [IUPAC] synonym: "group VIII elements" RELATED [ChEBI] synonym: "inert gases" RELATED [ChEBI] synonym: "noble gas" EXACT IUPAC_NAME [IUPAC] synonym: "noble gas" RELATED [ChEBI] synonym: "noble gases" EXACT IUPAC_NAME [IUPAC] synonym: "rare gases" RELATED [ChEBI] is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33318 ! main group element atom [Term] id: CHEBI:33314 name: radon atom namespace: chebi_ontology subset: 3_STAR synonym: "86Rn" RELATED [IUPAC] synonym: "niton" RELATED [ChemIDplus] synonym: "radium emanation" RELATED [ChemIDplus] synonym: "radon" EXACT IUPAC_NAME [IUPAC] synonym: "radon" RELATED [ChEBI] synonym: "Rn" RELATED [IUPAC] xref: CAS:10043-92-2 {source="NIST Chemistry WebBook"} xref: CAS:10043-92-2 {source="ChemIDplus"} xref: Gmelin:16242 {source="Gmelin"} xref: WebElements:Rn is_a: CHEBI:33309 ! noble gas atom is_a: CHEBI:33560 ! p-block element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Rn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SYUHGPGVQRZVTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Rn]" xsd:string [Term] id: CHEBI:33317 name: boron group element atom namespace: chebi_ontology subset: 3_STAR synonym: "boron group element" RELATED [ChEBI] synonym: "boron group elements" RELATED [ChEBI] synonym: "Element der Borgruppe" RELATED [ChEBI] synonym: "group 13 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group III elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom [Term] id: CHEBI:33318 name: main group element atom namespace: chebi_ontology def: "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table." [] subset: 3_STAR synonym: "Hauptgruppenelement" RELATED [ChEBI] synonym: "Hauptgruppenelemente" RELATED [ChEBI] synonym: "main group element" RELATED [ChEBI] synonym: "main group elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33250 ! atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33320 name: actinoid atom namespace: chebi_ontology subset: 3_STAR synonym: "actinide" RELATED [ChEBI] synonym: "actinides" RELATED [ChEBI] synonym: "Actinoid" RELATED [ChEBI] synonym: "actinoid" RELATED [ChEBI] synonym: "Actinoide" RELATED [ChEBI] synonym: "Actinoidenelemente" RELATED [ChEBI] synonym: "Actinoidengruppe" RELATED [ChEBI] synonym: "actinoids" EXACT IUPAC_NAME [IUPAC] synonym: "Aktinoide" RELATED [ChEBI] synonym: "Aktinoidenelemente" RELATED [ChEBI] synonym: "An" RELATED [ChEBI] is_a: CHEBI:33562 ! f-block element atom [Term] id: CHEBI:33324 name: strontium atom namespace: chebi_ontology subset: 3_STAR synonym: "38Sr" RELATED [IUPAC] synonym: "estroncio" RELATED [ChEBI] synonym: "Sr" RELATED [IUPAC] synonym: "strontium" EXACT IUPAC_NAME [IUPAC] synonym: "strontium" RELATED [ChEBI] xref: CAS:7440-24-6 {source="NIST Chemistry WebBook"} xref: CAS:7440-24-6 {source="ChemIDplus"} xref: WebElements:Sr is_a: CHEBI:22313 ! alkaline earth metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIOAGBVUUVVLOB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.62000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.90561" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sr]" xsd:string [Term] id: CHEBI:33327 name: silicon oxide namespace: chebi_ontology subset: 3_STAR synonym: "oxides of silicon" RELATED [ChEBI] synonym: "silicon oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:26677 ! silicon molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33329 name: silicon hydride namespace: chebi_ontology subset: 3_STAR synonym: "silicon hydride" EXACT [ChEBI] synonym: "silicon hydrides" RELATED [ChEBI] is_a: CHEBI:26677 ! silicon molecular entity is_a: CHEBI:33242 ! inorganic hydride [Term] id: CHEBI:33338 name: aryl group namespace: chebi_ontology def: "A group derived from an arene by removal of a hydrogen atom from a ring carbon atom." [] subset: 3_STAR synonym: "aryl groups" EXACT IUPAC_NAME [IUPAC] synonym: "Arylgruppe" RELATED [ChEBI] synonym: "groupe aryle" RELATED [IUPAC] synonym: "grupos arilo" RELATED [IUPAC] is_a: CHEBI:33248 ! hydrocarbyl group relationship: is_substituent_group_from CHEBI:33658 ! arene [Term] id: CHEBI:33340 name: zinc group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 12 elements" EXACT IUPAC_NAME [IUPAC] synonym: "zinc group element" RELATED [ChEBI] synonym: "zinc group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33341 name: titanium atom namespace: chebi_ontology subset: 3_STAR synonym: "22Ti" RELATED [IUPAC] synonym: "Ti" RELATED [IUPAC] synonym: "Titan" RELATED [ChEBI] synonym: "titane" RELATED [ChEBI] synonym: "titanio" RELATED [ChEBI] synonym: "titanium" EXACT IUPAC_NAME [IUPAC] synonym: "titanium" RELATED [ChEBI] xref: CAS:7440-32-6 {source="NIST Chemistry WebBook"} xref: CAS:7440-32-6 {source="ChemIDplus"} xref: WebElements:Ti is_a: CHEBI:33345 ! titanium group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTAQQCXQSZGOHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.86700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.94794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ti]" xsd:string [Term] id: CHEBI:33342 name: zirconium atom namespace: chebi_ontology subset: 3_STAR synonym: "40Zr" RELATED [IUPAC] synonym: "circonio" RELATED [ChEBI] synonym: "zirconio" RELATED [ChEBI] synonym: "zirconium" EXACT IUPAC_NAME [IUPAC] synonym: "zirconium" RELATED [ChEBI] synonym: "Zirkonium" RELATED [ChEBI] synonym: "Zr" RELATED [IUPAC] xref: CAS:7440-67-7 {source="ChemIDplus"} xref: CAS:7440-67-7 {source="NIST Chemistry WebBook"} xref: WebElements:Zr is_a: CHEBI:33345 ! titanium group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Zr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Zr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QCWXUUIWCKQGHC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "91.22400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.90470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zr]" xsd:string [Term] id: CHEBI:33343 name: hafnium atom namespace: chebi_ontology subset: 3_STAR synonym: "72Hf" RELATED [IUPAC] synonym: "hafnio" RELATED [ChEBI] synonym: "hafnium" EXACT IUPAC_NAME [IUPAC] synonym: "hafnium" RELATED [ChEBI] synonym: "Hf" RELATED [IUPAC] xref: CAS:7440-58-6 {source="NIST Chemistry WebBook"} xref: CAS:7440-58-6 {source="ChemIDplus"} xref: WebElements:Hf is_a: CHEBI:33345 ! titanium group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Hf" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Hf" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBJZVLUMGGDVMO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.49000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.94656" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Hf]" xsd:string [Term] id: CHEBI:33345 name: titanium group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 4 elements" EXACT IUPAC_NAME [IUPAC] synonym: "titanium group element" RELATED [ChEBI] synonym: "titanium group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33347 name: vanadium group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 5 elements" EXACT IUPAC_NAME [IUPAC] synonym: "vanadium group element" RELATED [ChEBI] synonym: "vanadium group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33348 name: tantalum atom namespace: chebi_ontology subset: 3_STAR synonym: "73Ta" RELATED [IUPAC] synonym: "Ta" RELATED [IUPAC] synonym: "Tantal" RELATED [ChEBI] synonym: "tantale" RELATED [ChEBI] synonym: "tantalo" RELATED [ChEBI] synonym: "tantalum" EXACT IUPAC_NAME [IUPAC] synonym: "tantalum" RELATED [ChEBI] xref: CAS:7440-25-7 {source="NIST Chemistry WebBook"} xref: CAS:7440-25-7 {source="ChemIDplus"} xref: WebElements:Ta is_a: CHEBI:33347 ! vanadium group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ta" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ta" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUVRBAGPIYLISA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.94790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.94800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ta]" xsd:string [Term] id: CHEBI:33350 name: chromium group element atom namespace: chebi_ontology subset: 3_STAR synonym: "chromium group element" RELATED [ChEBI] synonym: "chromium group elements" RELATED [ChEBI] synonym: "group 6 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33352 name: manganese group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 7 elements" EXACT IUPAC_NAME [IUPAC] synonym: "manganese group element" RELATED [ChEBI] synonym: "manganese group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33353 name: technetium atom namespace: chebi_ontology subset: 3_STAR synonym: "43Tc" RELATED [IUPAC] synonym: "Tc" RELATED [IUPAC] synonym: "Technetium" RELATED [ChEBI] synonym: "technetium" EXACT IUPAC_NAME [IUPAC] synonym: "technetium" RELATED [ChEBI] synonym: "tecnecio" RELATED [ChEBI] xref: CAS:7440-26-8 {source="NIST Chemistry WebBook"} xref: CAS:7440-26-8 {source="ChemIDplus"} xref: Gmelin:16310 {source="Gmelin"} xref: WebElements:Tc is_a: CHEBI:33352 ! manganese group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Tc" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Tc" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKLVYJBZJHMRIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tc]" xsd:string [Term] id: CHEBI:33356 name: iron group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 8 elements" EXACT IUPAC_NAME [IUPAC] synonym: "iron group element" RELATED [ChEBI] synonym: "iron group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33358 name: cobalt group element atom namespace: chebi_ontology subset: 3_STAR synonym: "cobalt group element" RELATED [ChEBI] synonym: "cobalt group elements" RELATED [ChEBI] synonym: "group 9 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33359 name: rhodium atom namespace: chebi_ontology def: "A cobalt group element atom of atomic number 45." [] subset: 3_STAR synonym: "45Rh" RELATED [IUPAC] synonym: "Rh" RELATED [ChEBI] synonym: "rhodium" EXACT IUPAC_NAME [IUPAC] synonym: "rhodium" RELATED [ChEBI] synonym: "rodio" RELATED [ChEBI] xref: CAS:7440-16-6 {source="NIST Chemistry WebBook"} xref: CAS:7440-16-6 {source="ChemIDplus"} xref: PMID:2936374 {source="Europe PMC"} xref: WebElements:Rh xref: Wikipedia:Rhodium is_a: CHEBI:33358 ! cobalt group element atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Rh" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rh" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MHOVAHRLVXNVSD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.90550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.90550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Rh]" xsd:string [Term] id: CHEBI:33362 name: nickel group element atom namespace: chebi_ontology subset: 3_STAR synonym: "group 10 elements" EXACT IUPAC_NAME [IUPAC] synonym: "nickel group element" RELATED [ChEBI] synonym: "nickel group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33364 name: platinum namespace: chebi_ontology subset: 3_STAR synonym: "78Pt" RELATED [IUPAC] synonym: "Platin" RELATED [ChEBI] synonym: "platine" RELATED [ChEBI] synonym: "platino" RELATED [ChEBI] synonym: "platinum" EXACT IUPAC_NAME [IUPAC] synonym: "Pt" RELATED [IUPAC] xref: CAS:7440-06-4 {source="NIST Chemistry WebBook"} xref: CAS:7440-06-4 {source="ChemIDplus"} xref: WebElements:Pt is_a: CHEBI:33362 ! nickel group element atom is_a: CHEBI:33365 ! platinum group metal atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BASFCYQUMIYNBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "195.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.96479" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pt]" xsd:string [Term] id: CHEBI:33365 name: platinum group metal atom namespace: chebi_ontology subset: 3_STAR synonym: "PGM" RELATED [ChEBI] synonym: "Platinmetalle" RELATED [ChEBI] synonym: "platinoid" RELATED [ChEBI] synonym: "Platinoide" RELATED [ChEBI] synonym: "platinum group metal" RELATED [ChEBI] synonym: "platinum group metals" RELATED [ChEBI] synonym: "platinum metals" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33366 name: copper group element atom namespace: chebi_ontology subset: 3_STAR synonym: "coinage metals" RELATED [ChEBI] synonym: "copper group element" RELATED [ChEBI] synonym: "copper group elements" RELATED [ChEBI] synonym: "group 11 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] id: CHEBI:33371 name: technetium-99 namespace: chebi_ontology subset: 3_STAR synonym: "(99)43Tc" RELATED [IUPAC] synonym: "(99)Tc" RELATED [IUPAC] synonym: "technetium, isotope of mass 99" RELATED [ChemIDplus] synonym: "technetium-99" EXACT IUPAC_NAME [IUPAC] xref: CAS:14133-76-7 {source="ChemIDplus"} xref: Gmelin:41657 {source="Gmelin"} is_a: CHEBI:33353 ! technetium atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "[99Tc]" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Tc/i1+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.90625" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[99Tc]" xsd:string [Term] id: CHEBI:33385 name: thorium namespace: chebi_ontology subset: 3_STAR synonym: "90Th" RELATED [IUPAC] synonym: "Th" RELATED [IUPAC] synonym: "thorium" EXACT IUPAC_NAME [IUPAC] synonym: "torio" RELATED [ChEBI] xref: CAS:7440-29-1 {source="NIST Chemistry WebBook"} xref: CAS:7440-29-1 {source="ChemIDplus"} xref: CAS:7440-29-1 {source="KEGG COMPOUND"} xref: KEGG:C19157 xref: WebElements:Th is_a: CHEBI:33320 ! actinoid atom property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Th" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Th" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSLUVFAKFWKJRC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.03810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.03806" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Th]" xsd:string [Term] id: CHEBI:33402 name: sulfur oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "oxoacids of sulfur" RELATED [ChEBI] synonym: "sulfur oxoacids" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33484 ! chalcogen oxoacid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33404 name: 3-hydroxypropionic acid namespace: chebi_ontology alt_id: CHEBI:1553 alt_id: CHEBI:20071 alt_id: CHEBI:40000 def: "A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group." [] subset: 3_STAR synonym: "3-HYDROXY-PROPANOIC ACID" RELATED [PDBeChem] synonym: "3-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "3-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-Hydroxypropionic acid" EXACT [KEGG_COMPOUND] synonym: "beta-hydroxypropionic acid" RELATED [ChemIDplus] synonym: "Hydracrylic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:773806 {source="Beilstein"} xref: CAS:503-66-2 {source="ChemIDplus"} xref: CAS:503-66-2 {source="KEGG COMPOUND"} xref: DrugBank:DB03688 xref: Gmelin:26307 {source="Gmelin"} xref: HMDB:HMDB0000700 xref: KEGG:C01013 xref: LIPID_MAPS_instance:LMFA01050003 {source="LIPID MAPS"} xref: PDBeChem:3OH xref: PMID:21723339 {source="Europe PMC"} xref: PMID:23022570 {source="Europe PMC"} xref: PMID:23192305 {source="Europe PMC"} xref: PMID:23473969 {source="Europe PMC"} xref: PMID:8155818 {source="Europe PMC"} xref: Reaxys:773806 {source="Reaxys"} is_a: CHEBI:194306 ! omega-hydroxy-short-chain fatty acid is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16510 ! 3-hydroxypropionate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ALRHLSYJTWAHJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCC(O)=O" xsd:string [Term] id: CHEBI:33405 name: hydracid namespace: chebi_ontology def: "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR synonym: "hydracid" EXACT IUPAC_NAME [IUPAC] synonym: "hydracids" RELATED [ChEBI] is_a: CHEBI:33608 ! hydrogen molecular entity relationship: has_role CHEBI:39141 ! Bronsted acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33406 name: organoarsenic compound namespace: chebi_ontology subset: 3_STAR synonym: "organoarsenic compound" EXACT [ChEBI] synonym: "organoarsenic compounds" RELATED [ChEBI] is_a: CHEBI:143084 ! organometalloidal compound is_a: CHEBI:22632 ! arsenic molecular entity [Term] id: CHEBI:33407 name: arsenic oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "arsenic oxoacid" EXACT [ChEBI] synonym: "arsenic oxoacids" RELATED [ChEBI] synonym: "oxoacids of arsenic" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:33408 ! pnictogen oxoacid [Term] id: CHEBI:33408 name: pnictogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_role CHEBI:138103 ! inorganic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33409 name: methylarsonate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "[As(CH3)O2(OH)](-)" RELATED [ChEBI] synonym: "hydrogen methylarsonate" EXACT IUPAC_NAME [IUPAC] synonym: "MeAsO2(OH)(-)" RELATED [ChEBI] synonym: "methylarsonate" RELATED [UniProt] is_a: CHEBI:50956 ! organoarsonic acid anion relationship: is_conjugate_acid_of CHEBI:16005 ! methylarsonate(2-) relationship: is_conjugate_base_of CHEBI:29852 ! methylarsonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4AsO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYPPRTNMGCREIM-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.96226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.93819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As](O)([O-])=O" xsd:string [Term] id: CHEBI:33415 name: elemental carbon namespace: chebi_ontology subset: 3_STAR synonym: "carbon" RELATED [ChemIDplus] xref: CAS:7440-44-0 {source="ChemIDplus"} xref: CAS:7440-44-0 {source="NIST Chemistry WebBook"} xref: CAS:82600-58-6 {source="NIST Chemistry WebBook"} xref: Gmelin:8868 {source="Gmelin"} is_a: CHEBI:33259 ! elemental molecular entity is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33424 name: sulfur oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfur oxoacid derivative" EXACT [ChEBI] synonym: "sulfur oxoacid derivatives" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33241 ! oxoacid derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33425 name: halogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxoacid" EXACT [ChEBI] synonym: "halogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24833 ! oxoacid relationship: has_role CHEBI:138103 ! inorganic acid [Term] id: CHEBI:33426 name: chlorine oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxoacid" EXACT [ChEBI] synonym: "chlorine oxoacids" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33425 ! halogen oxoacid relationship: is_conjugate_acid_of CHEBI:33437 ! chlorine oxoanion [Term] id: CHEBI:33427 name: bromine oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "bromine oxoacid" EXACT [ChEBI] synonym: "bromine oxoacids" RELATED [ChEBI] is_a: CHEBI:22928 ! bromine molecular entity is_a: CHEBI:33425 ! halogen oxoacid [Term] id: CHEBI:33429 name: monoatomic monoanion namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic monoanions" RELATED [ChEBI] is_a: CHEBI:23905 ! monoatomic anion is_a: CHEBI:36830 ! monoanion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:33431 name: elemental chlorine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:33432 name: monoatomic chlorine namespace: chebi_ontology subset: 3_STAR synonym: "atomic chlorine" RELATED [ChEBI] is_a: CHEBI:33431 ! elemental chlorine is_a: CHEBI:33433 ! monoatomic halogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string [Term] id: CHEBI:33433 name: monoatomic halogen namespace: chebi_ontology subset: 3_STAR synonym: "monoatomic halogens" RELATED [ChEBI] is_a: CHEBI:33238 ! monoatomic entity [Term] id: CHEBI:33434 name: elemental halogen namespace: chebi_ontology subset: 3_STAR synonym: "elemental halogen" EXACT [ChEBI] synonym: "elemental halogens" RELATED [ChEBI] is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33437 name: chlorine oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxoanion" EXACT [ChEBI] synonym: "chlorine oxoanions" RELATED [ChEBI] is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:33443 ! halogen oxoanion relationship: is_conjugate_base_of CHEBI:33426 ! chlorine oxoacid [Term] id: CHEBI:33443 name: halogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxoanion" EXACT [ChEBI] synonym: "halogen oxoanions" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33444 name: bromine oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "bromine oxoanion" EXACT [ChEBI] synonym: "bromine oxoanions" RELATED [ChEBI] is_a: CHEBI:22928 ! bromine molecular entity is_a: CHEBI:33443 ! halogen oxoanion [Term] id: CHEBI:33447 name: phospho sugar namespace: chebi_ontology alt_id: CHEBI:15132 alt_id: CHEBI:25406 alt_id: CHEBI:26086 alt_id: CHEBI:9320 def: "Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid." [] subset: 3_STAR synonym: "monosaccharide phosphates" RELATED [ChEBI] synonym: "phospho sugar" EXACT [ChEBI] synonym: "phospho sugars" RELATED [ChEBI] synonym: "phosphorylated sugar" RELATED [ChEBI] synonym: "phosphorylated sugars" RELATED [ChEBI] synonym: "phosphosugar" RELATED [ChEBI] synonym: "phosphosugars" RELATED [ChEBI] xref: KEGG:C00934 xref: PMID:18186488 {source="Europe PMC"} is_a: CHEBI:26816 ! carbohydrate phosphate is_a: CHEBI:63367 ! monosaccharide derivative [Term] id: CHEBI:33452 name: benzylic group namespace: chebi_ontology def: "Arylmethyl groups and derivatives formed by substitution: ArCR2-." [] subset: 3_STAR synonym: "benzylic group" EXACT [IUPAC] synonym: "benzylic groups" EXACT IUPAC_NAME [IUPAC] synonym: "benzylic groups" RELATED [ChEBI] synonym: "groupe benzylique" RELATED [IUPAC] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:33455 name: nitrogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxoacids" RELATED [ChEBI] synonym: "oxoacids of nitrogen" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:33456 name: organoheteryl group namespace: chebi_ontology def: "A univalent group containing carbon which has its free valence at an atom other than carbon." [] subset: 3_STAR synonym: "groupe organoheteryle" RELATED [IUPAC] synonym: "grupo organoheterilo" RELATED [IUPAC] synonym: "grupos organoheterilo" RELATED [IUPAC] synonym: "organoelement group" RELATED [IUPAC] synonym: "organoheteryl group" EXACT [IUPAC] synonym: "organoheteryl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51447 ! organic univalent group [Term] id: CHEBI:33457 name: phosphorus oxoacid namespace: chebi_ontology def: "A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons." [] subset: 3_STAR synonym: "oxoacids of phosphorus" RELATED [ChEBI] synonym: "Oxosaeure des Phosphors" RELATED [ChEBI] synonym: "phosphorus oxoacid" EXACT [ChEBI] synonym: "phosphorus oxoacids" RELATED [ChEBI] is_a: CHEBI:33408 ! pnictogen oxoacid is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33458 name: nitrogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxoanion" EXACT [ChEBI] synonym: "nitrogen oxoanions" RELATED [ChEBI] synonym: "oxoanions of nitrogen" RELATED [ChEBI] is_a: CHEBI:33459 ! pnictogen oxoanion is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:33459 name: pnictogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen oxoanion" EXACT [ChEBI] synonym: "pnictogen oxoanions" RELATED [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33461 name: phosphorus oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of phosphorus" RELATED [ChEBI] synonym: "phosphorus oxoanion" EXACT [ChEBI] synonym: "phosphorus oxoanions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:33459 ! pnictogen oxoanion [Term] id: CHEBI:33462 name: phosphonate(1-) namespace: chebi_ontology def: "A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid." [] subset: 3_STAR synonym: "[PHO2(OH)](-)" RELATED [IUPAC] synonym: "hydridohydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen phosphonate" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphonate" RELATED [IUPAC] xref: PDBeChem:78T is_a: CHEBI:33461 ! phosphorus oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:16215 ! phosphonate(2-) relationship: is_conjugate_base_of CHEBI:44976 ! phosphonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABLZXFCXXLZCGV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.987" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.97470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]P([O-])(O[H])=O" xsd:string [Term] id: CHEBI:33465 name: elemental pnictogen namespace: chebi_ontology subset: 3_STAR synonym: "elemental pnictogen" EXACT [ChEBI] synonym: "elemental pnictogens" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33259 ! elemental molecular entity is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:3347 name: candesartan namespace: chebi_ontology def: "A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension." [] subset: 3_STAR synonym: "2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid" RELATED [ChemIDplus] synonym: "2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid" RELATED [IUPAC] synonym: "2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid" RELATED [IUPHAR] synonym: "Blopress" RELATED BRAND_NAME [KEGG_DRUG] synonym: "CV-11974" RELATED [ChemIDplus] xref: Beilstein:6377719 {source="Beilstein"} xref: CAS:139481-59-7 {source="ChemIDplus"} xref: CAS:139481-59-7 {source="KEGG COMPOUND"} xref: DrugBank:DB00796 xref: HMDB:HMDB0014934 xref: KEGG:C07468 xref: KEGG:D00522 xref: LINCS:LSM-5903 xref: Patent:EP459136 xref: Patent:US5196444 xref: PMID:23713902 {source="Europe PMC"} xref: PMID:24464858 {source="Europe PMC"} xref: Reaxys:6377719 {source="Reaxys"} xref: Wikipedia:Candesartan is_a: CHEBI:35688 ! benzimidazolecarboxylic acid is_a: CHEBI:48420 ! biphenylyltetrazole relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:149509 ! candesartan(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H20N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HTQMVQVXFRQIKW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "440.45424" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "440.15969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1" xsd:string [Term] id: CHEBI:33482 name: sulfur oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "oxoanions of sulfur" RELATED [ChEBI] synonym: "sulfur oxoanion" EXACT [ChEBI] synonym: "sulfur oxoanions" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:33485 ! chalcogen oxoanion [Term] id: CHEBI:33484 name: chalcogen oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoacid" EXACT [ChEBI] synonym: "chalcogen oxoacids" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid relationship: has_role CHEBI:138103 ! inorganic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33485 name: chalcogen oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen oxoanion" EXACT [ChEBI] synonym: "chalcogen oxoanions" RELATED [ChEBI] is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:33497 name: transition element molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of a transition element." [] subset: 3_STAR synonym: "transition element molecular entities" RELATED [ChEBI] synonym: "transition metal molecular entity" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:27081 ! transition element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33498 name: actinoid molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "actinoid compounds" RELATED [ChEBI] synonym: "actinoid molecular entities" RELATED [ChEBI] is_a: CHEBI:33677 ! f-block molecular entity relationship: has_part CHEBI:33320 ! actinoid atom [Term] id: CHEBI:33499 name: uranium molecular entity is_a: CHEBI:33498 ! actinoid molecular entity [Term] id: CHEBI:33504 name: alkali metal cation namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33513 name: alkaline earth cation namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth cations" RELATED [ChEBI] synonym: "alkaline earth metal cation" RELATED [ChEBI] synonym: "alkaline-earth metal cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:33299 ! alkaline earth molecular entity [Term] id: CHEBI:33515 name: transition element cation namespace: chebi_ontology subset: 3_STAR synonym: "transition element cations" RELATED [ChEBI] synonym: "transition metal cation" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation [Term] id: CHEBI:33521 name: metal atom namespace: chebi_ontology alt_id: CHEBI:25217 alt_id: CHEBI:6788 def: "An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity." [] subset: 3_STAR synonym: "elemental metal" RELATED [ChEBI] synonym: "elemental metals" RELATED [ChEBI] synonym: "metal element" RELATED [ChEBI] synonym: "metal elements" RELATED [ChEBI] synonym: "metals" RELATED [ChEBI] xref: KEGG:C00050 xref: PMID:21784043 {source="Europe PMC"} xref: Wikipedia:Metal is_a: CHEBI:33250 ! atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33535 name: sulfur hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of sulfur" RELATED [ChEBI] synonym: "sulfur hydride" EXACT [ChEBI] synonym: "sulfur hydrides" RELATED [ChEBI] synonym: "sulphur hydrides" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity is_a: CHEBI:36902 ! chalcogen hydride [Term] id: CHEBI:33543 name: sulfonate namespace: chebi_ontology def: "The sulfur oxoanion formed by deprotonation of sulfonic acid." [] subset: 3_STAR synonym: "[SHO3](-)" RELATED [IUPAC] synonym: "hydridotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "SHO3(-)" RELATED [IUPAC] synonym: "sulfonates" RELATED [ChEBI] xref: Gmelin:971569 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_base_of CHEBI:29214 ! sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:33551 name: organosulfonic acid namespace: chebi_ontology def: "An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon." [] subset: 3_STAR synonym: "organosulfonic acids" RELATED [ChEBI] synonym: "sulfonic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33552 ! sulfonic acid derivative is_a: CHEBI:64709 ! organic acid relationship: has_part CHEBI:29922 ! sulfo group relationship: has_part CHEBI:33249 ! organyl group relationship: is_conjugate_acid_of CHEBI:33554 ! organosulfonate oxoanion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96464" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS([*])(=O)=O" xsd:string [Term] id: CHEBI:33552 name: sulfonic acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "derivatives of sulfonic acid" RELATED [ChEBI] synonym: "sulfonic acid derivative" EXACT [ChEBI] synonym: "sulfonic acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:29214 ! sulfonic acid [Term] id: CHEBI:33554 name: organosulfonate oxoanion namespace: chebi_ontology def: "An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid." [] subset: 3_STAR synonym: "organosulfonate" RELATED [ChEBI] synonym: "organosulfonate oxoanions" RELATED [ChEBI] synonym: "organosulfonates" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: has_functional_parent CHEBI:33543 ! sulfonate relationship: is_conjugate_base_of CHEBI:33551 ! organosulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95681" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*S([O-])(=O)=O" xsd:string [Term] id: CHEBI:33555 name: arenesulfonic acid namespace: chebi_ontology def: "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group." [] subset: 3_STAR synonym: "arenesulfonic acids" RELATED [ChEBI] synonym: "arylsulfonic acid" RELATED [ChEBI] synonym: "arylsulfonic acids" RELATED [ChEBI] is_a: CHEBI:33551 ! organosulfonic acid relationship: has_part CHEBI:33338 ! aryl group relationship: is_conjugate_acid_of CHEBI:22713 ! arenesulfonate oxoanion [Term] id: CHEBI:33557 name: aminobenzenesulfonic acid namespace: chebi_ontology def: "Any arenesulfonic acid that is benzenesulfonic acid substituted by at least one amino group at unspecified position." [] subset: 3_STAR synonym: "aminobenzenesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "aminobenzenesulfonic acids" RELATED [ChEBI] is_a: CHEBI:33555 ! arenesulfonic acid is_a: CHEBI:37793 ! amino sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.01466" xsd:string [Term] id: CHEBI:33558 name: alpha-amino-acid anion namespace: chebi_ontology def: "An amino-acid anion obtained by deprotonation of any alpha-amino acid." [] subset: 3_STAR synonym: "alpha-amino acid anions" RELATED [ChEBI] synonym: "alpha-amino-acid anion" EXACT [ChEBI] synonym: "alpha-amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:33559 name: s-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "s-block element" RELATED [ChEBI] synonym: "s-block elements" RELATED [ChEBI] is_a: CHEBI:33250 ! atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33560 name: p-block element atom namespace: chebi_ontology def: "Any main group element atom belonging to the p-block of the periodic table." [] subset: 3_STAR synonym: "p-block element" RELATED [ChEBI] synonym: "p-block elements" RELATED [ChEBI] is_a: CHEBI:33318 ! main group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33561 name: d-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "d-block element" RELATED [ChEBI] synonym: "d-block elements" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33562 name: f-block element atom namespace: chebi_ontology subset: 3_STAR synonym: "f-block element" RELATED [ChEBI] synonym: "f-block elements" RELATED [ChEBI] is_a: CHEBI:27081 ! transition element atom [Term] id: CHEBI:33566 name: catechols namespace: chebi_ontology alt_id: CHEBI:134187 alt_id: CHEBI:13628 alt_id: CHEBI:18862 def: "Any compound containing an o-diphenol component." [] subset: 3_STAR synonym: "1,2-benzenediols" RELATED [ChEBI] synonym: "a catechol" RELATED [UniProt] synonym: "benzene-1,2-diols" RELATED [ChEBI] xref: KEGG:C15571 is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H2O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.079" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=C(O)C(*)=C(*)C(*)=C1*" xsd:string [Term] id: CHEBI:33567 name: catecholamine namespace: chebi_ontology alt_id: CHEBI:23056 alt_id: CHEBI:3468 def: "4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution." [] subset: 3_STAR synonym: "Catecholamine" EXACT [KEGG_COMPOUND] synonym: "catecholamines" EXACT IUPAC_NAME [IUPAC] synonym: "catecholamines" RELATED [ChEBI] xref: KEGG:C02012 is_a: CHEBI:25375 ! monoamine molecular messenger is_a: CHEBI:33566 ! catechols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H9NO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.163" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.06333" xsd:string [Term] id: CHEBI:33568 name: adrenaline namespace: chebi_ontology def: "A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen." [] subset: 3_STAR synonym: "(+-)-adrenaline" RELATED [IUPHAR] synonym: "(+-)-epinephrine" RELATED [ChemIDplus] synonym: "2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol" RELATED [ChemIDplus] synonym: "4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "dl-adrenaline" RELATED [ChemIDplus] synonym: "epinephrine racemic" RELATED [ChemIDplus] synonym: "racepinefrina" RELATED INN [ChemIDplus] synonym: "racepinefrine" RELATED INN [ChemIDplus] synonym: "racepinefrinum" RELATED INN [ChemIDplus] xref: Beilstein:2212160 {source="ChemIDplus"} xref: CAS:329-65-7 {source="ChemIDplus"} xref: Drug_Central:4508 {source="DrugCentral"} xref: Gmelin:51559 {source="Gmelin"} xref: LINCS:LSM-4958 xref: PMID:10052027 {source="Europe PMC"} xref: PMID:24252294 {source="Europe PMC"} xref: PMID:24719616 {source="Europe PMC"} xref: Reaxys:2212160 {source="Reaxys"} is_a: CHEBI:33567 ! catecholamine relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCTWMZQNUQWSLP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.20446" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.08954" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCC(O)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:33569 name: noradrenaline namespace: chebi_ontology def: "A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted." [] subset: 3_STAR synonym: "4-(2-amino-1-hydroxyethyl)benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "noradrenalina" RELATED [ChEBI] synonym: "norepinephrine" RELATED [ChEBI] xref: Beilstein:2210994 {source="Beilstein"} xref: CAS:138-65-8 {source="NIST Chemistry WebBook"} xref: CAS:138-65-8 {source="ChemIDplus"} xref: Gmelin:863925 {source="Gmelin"} xref: LINCS:LSM-5181 is_a: CHEBI:33567 ! catecholamine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:166902 ! noradrenaline(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFLSHLFXELFNJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.17788" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:33570 name: benzenediols namespace: chebi_ontology alt_id: CHEBI:22705 alt_id: CHEBI:22711 subset: 3_STAR is_a: CHEBI:33853 ! phenols property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33572 name: resorcinols namespace: chebi_ontology def: "Any benzenediol in which the two hydroxy groups are meta to one another." [] subset: 3_STAR is_a: CHEBI:33570 ! benzenediols property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33575 name: carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13428 alt_id: CHEBI:13627 alt_id: CHEBI:23027 def: "A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid." [] subset: 3_STAR synonym: "acide carboxylique" RELATED [IUPAC] synonym: "acides carboxyliques" RELATED [IUPAC] synonym: "acido carboxilico" RELATED [IUPAC] synonym: "acidos carboxilicos" RELATED [IUPAC] synonym: "Carbonsaeure" RELATED [ChEBI] synonym: "Carbonsaeuren" RELATED [ChEBI] synonym: "carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "Karbonsaeure" RELATED [ChEBI] synonym: "RC(=O)OH" RELATED [IUPAC] xref: PMID:17147560 "Europe PMC" xref: PMID:17147560 {source="Europe PMC"} xref: PMID:18433345 "Europe PMC" xref: PMID:18433345 {source="Europe PMC"} xref: Wikipedia:Carboxylic_acid is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:64709 ! organic acid relationship: has_part CHEBI:46883 ! carboxy group relationship: is_conjugate_acid_of CHEBI:29067 ! carboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33576 name: sulfur-containing carboxylic acid namespace: chebi_ontology def: "Any carboxylic acid having a sulfur substituent." [] subset: 3_STAR synonym: "S-containing carboxylic acid" RELATED [ChEBI] synonym: "S-containing carboxylic acids" RELATED [ChEBI] synonym: "sulfur-containing carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33575 ! carboxylic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33579 name: main group molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." [] subset: 3_STAR synonym: "main group compounds" RELATED [ChEBI] synonym: "main group molecular entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:33318 ! main group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33581 name: boron group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "boron group molecular entities" RELATED [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33317 ! boron group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33582 name: carbon group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "carbon group molecular entities" RELATED [ChEBI] synonym: "carbon group molecular entity" EXACT [ChEBI] is_a: CHEBI:33675 ! p-block molecular entity relationship: has_part CHEBI:33306 ! carbon group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33583 name: noble gas molecular entity namespace: chebi_ontology def: "A main group molecular entity containing one or more atoms of any noble gas." [] subset: 3_STAR synonym: "noble gas compounds" RELATED [ChEBI] synonym: "noble gas molecular entities" RELATED [ChEBI] synonym: "noble gas molecular entity" EXACT [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33309 ! noble gas atom [Term] id: CHEBI:33584 name: germanium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "germanium compounds" RELATED [ChEBI] synonym: "germanium molecular entities" RELATED [ChEBI] synonym: "germanium molecular entity" EXACT [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:30441 ! germanium atom [Term] id: CHEBI:33585 name: lead molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "lead compounds" RELATED [ChEBI] synonym: "lead molecular entities" RELATED [ChEBI] synonym: "lead molecular entity" EXACT [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:25016 ! lead atom [Term] id: CHEBI:33586 name: organolead compound namespace: chebi_ontology def: "A compound containing at least one carbon-lead bond." [] subset: 3_STAR synonym: "organolead compounds" RELATED [ChEBI] is_a: CHEBI:25707 ! organometallic compound is_a: CHEBI:33585 ! lead molecular entity [Term] id: CHEBI:33587 name: germanium hydride namespace: chebi_ontology subset: 3_STAR synonym: "germanium hydride" EXACT [ChEBI] synonym: "germanium hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33584 ! germanium molecular entity [Term] id: CHEBI:33588 name: boron hydride namespace: chebi_ontology subset: 3_STAR synonym: "boron hydride" EXACT [ChEBI] synonym: "boron hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "boron hydrides" RELATED [ChEBI] is_a: CHEBI:22916 ! boron molecular entity is_a: CHEBI:33242 ! inorganic hydride [Term] id: CHEBI:33589 name: boranes namespace: chebi_ontology def: "The molecular hydrides of boron." [] subset: 3_STAR xref: Wikipedia:Borane is_a: CHEBI:33588 ! boron hydride [Term] id: CHEBI:33590 name: diborane(6) namespace: chebi_ontology subset: 3_STAR synonym: "B2H6" RELATED [IUPAC] synonym: "diborane" RELATED [ChemIDplus] synonym: "diborane(6)" EXACT IUPAC_NAME [IUPAC] synonym: "diboron hexahydride" RELATED [NIST_Chemistry_WebBook] xref: CAS:19287-45-7 {source="ChemIDplus"} xref: CAS:19287-45-7 {source="NIST Chemistry WebBook"} xref: Gmelin:1295 {source="Gmelin"} is_a: CHEBI:33734 ! polyboron hydride is_a: CHEBI:51685 ! diborane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "B2H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/B2H6/c1-3-2-4-1/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLDBIFITUCWVCC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "27.66964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.06556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][B]1([H])[H][B]([H])([H])[H]1" xsd:string [Term] id: CHEBI:33595 name: cyclic compound namespace: chebi_ontology def: "Any molecule that consists of a series of atoms joined together to form a ring." [] subset: 3_STAR synonym: "cyclic compounds" RELATED [ChEBI] xref: Wikipedia:Cyclic_compound is_a: CHEBI:25367 ! molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33597 name: homocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of the same element only." [] subset: 3_STAR synonym: "homocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "homocyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "isocyclic compounds" RELATED [IUPAC] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33598 name: carbocyclic compound namespace: chebi_ontology def: "A homocyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbocycle" RELATED [ChEBI] synonym: "carbocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "carbocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33832 ! organic cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33599 name: spiro compound namespace: chebi_ontology def: "A compound having one atom as the only common member of two rings." [] subset: 3_STAR synonym: "spiro compound" EXACT IUPAC_NAME [IUPAC] synonym: "spiro compounds" EXACT IUPAC_NAME [IUPAC] synonym: "spiro-fused compounds" RELATED [IUPAC] synonym: "spirocycle" RELATED [ChEBI] synonym: "spirocycles" RELATED [ChEBI] synonym: "spirocyclic compound" RELATED [ChEBI] synonym: "spirocyclic compounds" RELATED [ChEBI] synonym: "spirofused compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:33608 name: hydrogen molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "hydrogen compounds" RELATED [ChEBI] synonym: "hydrogen molecular entities" RELATED [ChEBI] is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:49637 ! hydrogen atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33609 name: elemental boron namespace: chebi_ontology subset: 3_STAR synonym: "boron" RELATED [NIST_Chemistry_WebBook] synonym: "trona elemental boron" RELATED [NIST_Chemistry_WebBook] xref: CAS:7440-42-8 {source="NIST Chemistry WebBook"} is_a: CHEBI:22916 ! boron molecular entity is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:33620 name: aluminium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "aluminium compounds" RELATED [ChEBI] synonym: "aluminium molecular entities" RELATED [ChEBI] synonym: "aluminium molecular entity" EXACT [ChEBI] synonym: "aluminum compounds" RELATED [ChEBI] is_a: CHEBI:33581 ! boron group molecular entity relationship: has_part CHEBI:28984 ! aluminium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33623 name: aluminium oxides is_a: CHEBI:133331 ! metal oxide is_a: CHEBI:33620 ! aluminium molecular entity [Term] id: CHEBI:33624 name: bromophenol namespace: chebi_ontology def: "A halophenol that is any phenol containing one or more covalently bonded bromine atoms." [] subset: 3_STAR is_a: CHEBI:37149 ! bromobenzenes is_a: CHEBI:38856 ! halophenol [Term] id: CHEBI:33625 name: dibromophenol namespace: chebi_ontology def: "A bromophenol that consists of phenol bearing two bromo substituents at unspecified positions." [] subset: 3_STAR is_a: CHEBI:33624 ! bromophenol relationship: has_functional_parent CHEBI:37147 ! dibromobenzene [Term] id: CHEBI:33628 name: elemental aluminium namespace: chebi_ontology subset: 3_STAR synonym: "elemental aluminum" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33259 ! elemental molecular entity is_a: CHEBI:33620 ! aluminium molecular entity [Term] id: CHEBI:33629 name: aluminium(0) namespace: chebi_ontology subset: 3_STAR synonym: "Al(0)" RELATED [ChEBI] synonym: "Aln" RELATED [IUPAC] synonym: "aluminium(0)" EXACT [IUPAC] synonym: "aluminum metal" RELATED [NIST_Chemistry_WebBook] xref: CAS:7429-90-5 {source="NIST Chemistry WebBook"} is_a: CHEBI:33628 ! elemental aluminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Al" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XAGFODPZIPBFFR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.98154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.98154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Al]" xsd:string [Term] id: CHEBI:33635 name: polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33636 name: bicyclic compound namespace: chebi_ontology def: "A molecule that features two fused rings." [] subset: 3_STAR synonym: "bicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33637 name: ortho-fused compound namespace: chebi_ontology def: "A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms." [] subset: 3_STAR synonym: "ortho-fused compounds" RELATED [ChEBI] synonym: "ortho-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] id: CHEBI:33639 name: ortho- and peri-fused compound namespace: chebi_ontology def: "A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms." [] subset: 3_STAR synonym: "ortho- and peri-fused compounds" RELATED [ChEBI] synonym: "ortho- and peri-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] id: CHEBI:33640 name: polycyclic cage namespace: chebi_ontology def: "A polycyclic compound having the shape of a cage." [] subset: 3_STAR synonym: "cage compound" EXACT IUPAC_NAME [IUPAC] synonym: "polycyclic cages" RELATED [ChEBI] is_a: CHEBI:35990 ! bridged compound [Term] id: CHEBI:33641 name: olefin namespace: chebi_ontology def: "Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes." [] subset: 3_STAR synonym: "olefin" EXACT IUPAC_NAME [IUPAC] synonym: "olefins" EXACT IUPAC_NAME [IUPAC] synonym: "olefins" RELATED [ChEBI] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:33642 name: cyclic olefin namespace: chebi_ontology def: "The inclusive term for any cyclic hydrocarbon having any number of double bonds." [] subset: 3_STAR synonym: "cyclic olefin" EXACT IUPAC_NAME [IUPAC] synonym: "cyclic olefins" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33641 ! olefin is_a: CHEBI:33654 ! alicyclic compound [Term] id: CHEBI:33643 name: cycloalkene namespace: chebi_ontology def: "An unsaturated monocyclic hydrocarbon having at least one endocyclic double bond." [] subset: 3_STAR synonym: "cycloalkene" EXACT IUPAC_NAME [IUPAC] synonym: "cycloalkenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33664 ! monocyclic hydrocarbon is_a: CHEBI:36403 ! monocyclic olefin [Term] id: CHEBI:33644 name: acetylenes namespace: chebi_ontology def: "Acyclic (branched or unbranched) and cyclic (with or without side chain) hydrocarbons having one or more carbon-carbon triple bonds." [] subset: 3_STAR synonym: "acetylenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:73474 ! acetylenic compound [Term] id: CHEBI:33645 name: acyclic olefin namespace: chebi_ontology def: "Acyclic branched or unbranched hydrocarbons having one or more carbon-carbon double bond." [] subset: 3_STAR synonym: "acyclic olefins" RELATED [ChEBI] is_a: CHEBI:33641 ! olefin [Term] id: CHEBI:33646 name: alkadiene namespace: chebi_ontology def: "Acyclic branched or unbranched hydrocarbons having two carbon-carbon double bonds." [] subset: 3_STAR synonym: "alkadiene" EXACT IUPAC_NAME [IUPAC] synonym: "alkadienes" EXACT IUPAC_NAME [IUPAC] synonym: "alkadienes" RELATED [ChEBI] is_a: CHEBI:33645 ! acyclic olefin [Term] id: CHEBI:33650 name: acyclic acetylene namespace: chebi_ontology def: "Acyclic (branched or unbranched) hydrocarbons having one or more carbon-carbon triple bonds." [] subset: 3_STAR synonym: "acyclic acetylenes" RELATED [ChEBI] is_a: CHEBI:33644 ! acetylenes [Term] id: CHEBI:33653 name: aliphatic compound namespace: chebi_ontology def: "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds." [] subset: 3_STAR synonym: "aliphatic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33654 name: alicyclic compound namespace: chebi_ontology def: "An aliphatic compound having a carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system." [] subset: 3_STAR synonym: "alicyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:33653 ! aliphatic compound [Term] id: CHEBI:33655 name: aromatic compound namespace: chebi_ontology def: "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character." [] subset: 3_STAR synonym: "aromatic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "aromatics" RELATED [ChEBI] synonym: "aromatische Verbindungen" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33658 name: arene namespace: chebi_ontology def: "Any monocyclic or polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "arene" EXACT IUPAC_NAME [IUPAC] synonym: "arenes" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic hydrocarbons" RELATED [IUPAC] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33659 name: organic aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic aromatic compounds" RELATED [ChEBI] is_a: CHEBI:33655 ! aromatic compound is_a: CHEBI:33832 ! organic cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33661 name: monocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33662 name: annulene namespace: chebi_ontology def: "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms." [] subset: 3_STAR synonym: "annulene" EXACT IUPAC_NAME [IUPAC] synonym: "annulenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33664 ! monocyclic hydrocarbon [Term] id: CHEBI:33663 name: cyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "cyclic hydrocarbon" EXACT [ChEBI] synonym: "cyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:33664 name: monocyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic hydrocarbon" EXACT [ChEBI] synonym: "monocyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "monocyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33663 ! cyclic hydrocarbon [Term] id: CHEBI:33666 name: polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic hydrocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "polycyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33663 ! cyclic hydrocarbon is_a: CHEBI:35294 ! carbopolycyclic compound [Term] id: CHEBI:33670 name: heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heteromonocyclic compound" EXACT IUPAC_NAME [IUPAC] synonym: "heteromonocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33661 ! monocyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33671 name: heteropolycyclic compound namespace: chebi_ontology def: "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom." [] subset: 3_STAR synonym: "heteropolycyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "polyheterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33672 name: heterobicyclic compound namespace: chebi_ontology def: "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom." [] subset: 3_STAR synonym: "heterobicyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33636 ! bicyclic compound is_a: CHEBI:5686 ! heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33673 name: zinc group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc group molecular entities" RELATED [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33340 ! zinc group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33674 name: s-block molecular entity namespace: chebi_ontology def: "An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element." [] subset: 3_STAR synonym: "s-block compounds" RELATED [ChEBI] synonym: "s-block molecular entities" RELATED [ChEBI] synonym: "s-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33559 ! s-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33675 name: p-block molecular entity namespace: chebi_ontology def: "A main group molecular entity that contains one or more atoms of a p-block element." [] subset: 3_STAR synonym: "p-block compounds" RELATED [ChEBI] synonym: "p-block molecular entities" RELATED [ChEBI] synonym: "p-block molecular entitiy" RELATED [ChEBI] is_a: CHEBI:33579 ! main group molecular entity relationship: has_part CHEBI:33560 ! p-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33676 name: d-block molecular entity namespace: chebi_ontology def: "A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element." [] subset: 3_STAR synonym: "d-block compounds" RELATED [ChEBI] synonym: "d-block molecular entities" RELATED [ChEBI] synonym: "d-block molecular entity" EXACT [ChEBI] is_a: CHEBI:33497 ! transition element molecular entity relationship: has_part CHEBI:33561 ! d-block element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33677 name: f-block molecular entity namespace: chebi_ontology def: "A molecular entity containing one or more atoms of an f-block element." [] subset: 3_STAR synonym: "f-block compounds" RELATED [ChEBI] synonym: "f-block molecular entities" RELATED [ChEBI] is_a: CHEBI:33497 ! transition element molecular entity relationship: has_part CHEBI:33562 ! f-block element atom [Term] id: CHEBI:33679 name: helium molecular entity is_a: CHEBI:33583 ! noble gas molecular entity is_a: CHEBI:33674 ! s-block molecular entity [Term] id: CHEBI:33692 name: hydrides namespace: chebi_ontology def: "Hydrides are chemical compounds of hydrogen with other chemical elements." [] subset: 3_STAR is_a: CHEBI:33608 ! hydrogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33693 name: oxygen hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of oxygen" RELATED [ChEBI] synonym: "oxygen hydride" EXACT [ChEBI] synonym: "oxygen hydrides" RELATED [ChEBI] is_a: CHEBI:36902 ! chalcogen hydride [Term] id: CHEBI:33694 name: biomacromolecule namespace: chebi_ontology def: "A macromolecule formed by a living organism." [] subset: 3_STAR synonym: "biomacromolecules" RELATED [ChEBI] synonym: "biopolymer" EXACT IUPAC_NAME [IUPAC] synonym: "Biopolymere" RELATED [ChEBI] synonym: "biopolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33695 name: information biomacromolecule namespace: chebi_ontology subset: 3_STAR synonym: "genetically encoded biomacromolecules" RELATED [ChEBI] synonym: "genetically encoded biopolymers" RELATED [ChEBI] synonym: "information biomacromolecules" RELATED [ChEBI] synonym: "information biopolymers" RELATED [ChEBI] synonym: "information macromolecule" RELATED [ChEBI] synonym: "information macromolecules" RELATED [ChEBI] is_a: CHEBI:33694 ! biomacromolecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33696 name: nucleic acid namespace: chebi_ontology def: "A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid." [] subset: 3_STAR synonym: "acide nucleique" RELATED [ChEBI] synonym: "acides nucleiques" RELATED [ChEBI] synonym: "acido nucleico" RELATED [ChEBI] synonym: "acidos nucleicos" RELATED [ChEBI] synonym: "NA" RELATED [ChEBI] synonym: "nucleic acids" EXACT IUPAC_NAME [IUPAC] synonym: "Nukleinsaeure" RELATED [ChEBI] synonym: "Nukleinsaeuren" RELATED [ChEBI] is_a: CHEBI:15986 ! polynucleotide relationship: has_part CHEBI:33791 ! canonical nucleoside residue relationship: has_part CHEBI:50297 ! canonical nucleotide residue [Term] id: CHEBI:33697 name: ribonucleic acid namespace: chebi_ontology def: "High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins." [] subset: 3_STAR synonym: "pentosenucleic acids" RELATED [ChemIDplus] synonym: "ribonucleic acid" EXACT [IUPAC] synonym: "ribonucleic acids" EXACT IUPAC_NAME [IUPAC] synonym: "ribonucleic acids" RELATED [ChEBI] synonym: "Ribonukleinsaeure" RELATED [ChEBI] synonym: "ribose nucleic acid" RELATED [ChEBI] synonym: "RNA" RELATED [UniProt] synonym: "RNA" RELATED [IUPAC] synonym: "RNS" RELATED [ChEBI] synonym: "yeast nucleic acid" RELATED [ChEBI] xref: CAS:63231-63-0 {source="ChemIDplus"} is_a: CHEBI:33696 ! nucleic acid relationship: has_part CHEBI:33792 ! canonical ribonucleoside residue relationship: has_part CHEBI:50299 ! canonical ribonucleotide residue [Term] id: CHEBI:33700 name: proteinogenic amino-acid residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical amino-acid residue" RELATED [ChEBI] synonym: "canonical amino-acid residues" RELATED [ChEBI] synonym: "common amino acid residues" RELATED [ChEBI] synonym: "proteinogenic amino-acid residues" RELATED [ChEBI] synonym: "standard amino acid residues" RELATED [ChEBI] synonym: "standard amino-acid residues" RELATED [ChEBI] is_a: CHEBI:33710 ! alpha-amino-acid residue [Term] id: CHEBI:33702 name: polyatomic cation namespace: chebi_ontology def: "A cation consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic cations" RELATED [ChEBI] is_a: CHEBI:36358 ! polyatomic ion is_a: CHEBI:36916 ! cation property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33703 name: amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "amino acid cation" RELATED [ChEBI] synonym: "amino-acid cation" EXACT [ChEBI] synonym: "amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation [Term] id: CHEBI:33704 name: alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:10208 alt_id: CHEBI:13779 alt_id: CHEBI:22442 alt_id: CHEBI:2642 def: "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group." [] subset: 3_STAR synonym: "alpha-amino acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-amino acids" RELATED [JCBN] synonym: "alpha-amino acids" RELATED [ChEBI] synonym: "alpha-amino carboxylic acids" RELATED [IUPAC] synonym: "Amino acid" RELATED [KEGG_COMPOUND] synonym: "Amino acids" RELATED [KEGG_COMPOUND] xref: KEGG:C00045 xref: KEGG:C05167 is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:33558 ! alpha-amino-acid anion relationship: is_tautomer_of CHEBI:78608 ! alpha-amino acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([*])C(O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33706 name: beta-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group." [] subset: 3_STAR synonym: "beta-amino acid" EXACT [ChEBI] synonym: "beta-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:33707 name: gamma-amino acid namespace: chebi_ontology def: "A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group." [] subset: 3_STAR synonym: "gamma-amino acid" EXACT [ChEBI] synonym: "gamma-amino acids" RELATED [ChEBI] is_a: CHEBI:83820 ! non-proteinogenic amino acid relationship: is_conjugate_acid_of CHEBI:71666 ! gamma-amino acid anion [Term] id: CHEBI:33708 name: amino-acid residue namespace: chebi_ontology def: "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue." [] subset: 3_STAR synonym: "amino acid residue" RELATED [ChEBI] synonym: "amino-acid residue" EXACT IUPAC_NAME [IUPAC] synonym: "amino-acid residues" RELATED [JCBN] is_a: CHEBI:33247 ! organic group relationship: is_substituent_group_from CHEBI:33709 ! amino acid [Term] id: CHEBI:33709 name: amino acid namespace: chebi_ontology alt_id: CHEBI:13815 alt_id: CHEBI:22477 def: "A carboxylic acid containing one or more amino groups." [] subset: 3_STAR synonym: "amino acids" RELATED [ChEBI] synonym: "Aminocarbonsaeure" RELATED [ChEBI] synonym: "Aminokarbonsaeure" RELATED [ChEBI] synonym: "Aminosaeure" RELATED [ChEBI] xref: Wikipedia:Amino_acid is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_acid_of CHEBI:37022 ! amino-acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33710 name: alpha-amino-acid residue namespace: chebi_ontology subset: 3_STAR synonym: "alpha-amino-acid residues" RELATED [ChEBI] is_a: CHEBI:33708 ! amino-acid residue relationship: is_substituent_group_from CHEBI:33704 ! alpha-amino acid [Term] id: CHEBI:33719 name: alpha-amino-acid cation namespace: chebi_ontology subset: 3_STAR synonym: "alpha-amino acid cations" RELATED [ChEBI] synonym: "alpha-amino-acid cation" EXACT [ChEBI] synonym: "alpha-amino-acid cations" RELATED [ChEBI] is_a: CHEBI:33703 ! amino-acid cation [Term] id: CHEBI:33720 name: carbohydrate acid namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid" EXACT [ChEBI] synonym: "carbohydrate acids" RELATED [ChEBI] is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:33721 ! carbohydrate acid anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33721 name: carbohydrate acid anion namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate acid anion" EXACT [ChEBI] synonym: "carbohydrate acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33720 ! carbohydrate acid [Term] id: CHEBI:33731 name: cluster namespace: chebi_ontology def: "A cluster is a number of metal centres grouped close together which can have direct metal bonding interactions or interactions through a bridging ligand, but are not necessarily held together by these interactions." [] subset: 3_STAR synonym: "cluster" EXACT IUPAC_NAME [IUPAC] synonym: "cluster compound" RELATED [ChEBI] synonym: "cluster compounds" RELATED [ChEBI] synonym: "clusters" RELATED [ChEBI] synonym: "polynuclear clusters" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:33732 name: homonuclear cluster namespace: chebi_ontology subset: 3_STAR synonym: "homo-nuclear clusters" EXACT IUPAC_NAME [IUPAC] synonym: "homonuclear cluster" EXACT [ChEBI] synonym: "homonuclear clusters" RELATED [ChEBI] is_a: CHEBI:33731 ! cluster [Term] id: CHEBI:33734 name: polyboron hydride namespace: chebi_ontology subset: 3_STAR synonym: "polyboron hydride" EXACT [ChEBI] synonym: "polyboron hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "polyboron hydrides" RELATED [ChEBI] is_a: CHEBI:33588 ! boron hydride is_a: CHEBI:33735 ! polyboron cluster [Term] id: CHEBI:33735 name: polyboron cluster namespace: chebi_ontology subset: 3_STAR synonym: "cluster compounds of boron" EXACT IUPAC_NAME [IUPAC] synonym: "polyboron clusters" RELATED [ChEBI] is_a: CHEBI:33732 ! homonuclear cluster [Term] id: CHEBI:33741 name: chromium group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "chromium group molecular entities" RELATED [ChEBI] synonym: "chromium group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33350 ! chromium group element atom [Term] id: CHEBI:33742 name: tungsten molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "tungsten compounds" RELATED [ChEBI] synonym: "tungsten molecular entities" RELATED [ChEBI] synonym: "tungsten molecular entity" EXACT [ChEBI] is_a: CHEBI:33741 ! chromium group molecular entity relationship: has_part CHEBI:27998 ! tungsten [Term] id: CHEBI:33743 name: manganese group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese group molecular entities" RELATED [ChEBI] synonym: "manganese group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33352 ! manganese group element atom [Term] id: CHEBI:33744 name: iron group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "iron group molecular entities" RELATED [ChEBI] synonym: "iron group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33356 ! iron group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33745 name: copper group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "copper group molecular entities" RELATED [ChEBI] synonym: "copper group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33366 ! copper group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33746 name: vanadium group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "vanadium group molecular entities" RELATED [ChEBI] synonym: "vanadium group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33347 ! vanadium group element atom [Term] id: CHEBI:33747 name: nickel group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel group molecular entities" RELATED [ChEBI] synonym: "nickel group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33362 ! nickel group element atom [Term] id: CHEBI:33748 name: nickel molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel compounds" RELATED [ChEBI] synonym: "nickel molecular entities" RELATED [ChEBI] synonym: "nickel molecular entity" EXACT [ChEBI] is_a: CHEBI:33747 ! nickel group molecular entity relationship: has_part CHEBI:28112 ! nickel atom [Term] id: CHEBI:33749 name: platinum molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "platinum compounds" RELATED [ChEBI] synonym: "platinum molecular entities" RELATED [ChEBI] synonym: "platinum molecular entity" EXACT [ChEBI] is_a: CHEBI:33747 ! nickel group molecular entity relationship: has_part CHEBI:33364 ! platinum [Term] id: CHEBI:33767 name: cobalt group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt group molecular entities" RELATED [ChEBI] synonym: "cobalt group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33358 ! cobalt group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33768 name: titanium group molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "titanium group molecular entities" RELATED [ChEBI] synonym: "titanium group molecular entity" EXACT [ChEBI] is_a: CHEBI:33676 ! d-block molecular entity relationship: has_part CHEBI:33345 ! titanium group element atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33780 name: beryllium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "beryllium compounds" RELATED [ChEBI] synonym: "beryllium molecular entities" RELATED [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:30501 ! beryllium atom [Term] id: CHEBI:33791 name: canonical nucleoside residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical nucleoside residues" RELATED [ChEBI] synonym: "common nucleoside residues" RELATED [CBN] synonym: "nucleoside residue" RELATED [CBN] synonym: "standard nucleoside residues" RELATED [ChEBI] is_a: CHEBI:50320 ! nucleoside residue [Term] id: CHEBI:33792 name: canonical ribonucleoside residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical ribonucleoside residues" RELATED [ChEBI] synonym: "common ribonucleoside residue" RELATED [CBN] synonym: "common ribonucleoside residues" RELATED [CBN] synonym: "N" RELATED [CBN] synonym: "Nuc" RELATED [CBN] synonym: "standard ribonucleoside residues" RELATED [ChEBI] is_a: CHEBI:33791 ! canonical nucleoside residue [Term] id: CHEBI:33793 name: canonical deoxyribonucleoside residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical deoxyribonucleoside residues" RELATED [ChEBI] synonym: "common 2'-deoxyribonucleoside residue" RELATED [CBN] synonym: "common 2'-deoxyribonucleoside residues" RELATED [CBN] synonym: "dN" RELATED [CBN] synonym: "dNuc" RELATED [CBN] synonym: "standard deoxyribonucleoside residues" RELATED [ChEBI] is_a: CHEBI:33791 ! canonical nucleoside residue [Term] id: CHEBI:3380 name: captopril namespace: chebi_ontology def: "A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug." [] subset: 3_STAR synonym: "(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid" RELATED [ChEBI] synonym: "1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline" EXACT IUPAC_NAME [IUPAC] synonym: "Acepress" RELATED BRAND_NAME [DrugBank] synonym: "Apopril" RELATED BRAND_NAME [DrugBank] synonym: "Capoten" RELATED BRAND_NAME [DrugBank] synonym: "Captolane" RELATED BRAND_NAME [DrugBank] synonym: "captopril" RELATED INN [ChemIDplus] synonym: "captoprilum" RELATED INN [ChemIDplus] synonym: "Captopryl" RELATED [DrugBank] synonym: "Captoril" RELATED BRAND_NAME [DrugBank] synonym: "Cesplon" RELATED BRAND_NAME [DrugBank] synonym: "CP" RELATED [ChEBI] synonym: "D-2-methyl-3-mercaptopropanoyl-L-proline" RELATED [ChemIDplus] synonym: "D-3-mercapto-2-methylpropanoyl-L-proline" RELATED [ChemIDplus] synonym: "Dilabar" RELATED BRAND_NAME [DrugBank] synonym: "Garranil" RELATED BRAND_NAME [DrugBank] synonym: "Hypertil" RELATED BRAND_NAME [DrugBank] synonym: "L-Captopril" RELATED [DrugBank] synonym: "Lopirin" RELATED BRAND_NAME [DrugBank] synonym: "Tenosbon" RELATED BRAND_NAME [DrugBank] synonym: "Tensobon" RELATED BRAND_NAME [DrugBank] synonym: "Tensoprel" RELATED BRAND_NAME [DrugBank] xref: Beilstein:477887 {source="Beilstein"} xref: CAS:62571-86-2 {source="KEGG DRUG"} xref: CAS:62571-86-2 {source="NIST Chemistry WebBook"} xref: CAS:62571-86-2 {source="ChemIDplus"} xref: Drug_Central:484 {source="DrugCentral"} xref: DrugBank:DB01197 xref: KEGG:D00251 xref: LINCS:LSM-5648 xref: Patent:US4046889 xref: Patent:US4105776 xref: PMID:23137627 {source="Europe PMC"} xref: PMID:23161035 {source="Europe PMC"} xref: PMID:23278692 {source="Europe PMC"} xref: PMID:23299024 {source="Europe PMC"} xref: PMID:23328620 {source="Europe PMC"} xref: PMID:23397376 {source="Europe PMC"} xref: PMID:23410042 {source="Europe PMC"} xref: PMID:23422724 {source="Europe PMC"} xref: PMID:23429803 {source="Europe PMC"} xref: PMID:23435971 {source="Europe PMC"} xref: PMID:2420897 {source="Europe PMC"} xref: Wikipedia:Captopril is_a: CHEBI:46701 ! pyrrolidinemonocarboxylic acid is_a: CHEBI:46766 ! N-acylpyrrolidine is_a: CHEBI:47908 ! alkanethiol is_a: CHEBI:84186 ! L-proline derivative relationship: has_role CHEBI:35457 ! EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H15NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAKRSMQSSFJEIM-RQJHMYQMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "217.28500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "217.07726" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O" xsd:string [Term] id: CHEBI:33822 name: organic hydroxy compound namespace: chebi_ontology alt_id: CHEBI:64710 def: "An organic compound having at least one hydroxy group attached to a carbon atom." [] subset: 3_STAR synonym: "hydroxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organic alcohol" RELATED [ChEBI] synonym: "organic hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33823 name: enol namespace: chebi_ontology def: "Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H)." [] subset: 3_STAR synonym: "alkenols" RELATED [IUPAC] synonym: "enol" EXACT [IUPAC] synonym: "enols" EXACT IUPAC_NAME [IUPAC] synonym: "enols" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:78840 ! olefinic compound relationship: is_conjugate_acid_of CHEBI:142839 ! enolate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.029" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=C(*)*)*" xsd:string [Term] id: CHEBI:33832 name: organic cyclic compound namespace: chebi_ontology def: "Any organic molecule that consists of atoms connected in the form of a ring." [] subset: 3_STAR synonym: "organic cyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound is_a: CHEBI:72695 ! organic molecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33833 name: heteroarene namespace: chebi_ontology def: "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2)." [] subset: 3_STAR synonym: "hetarenes" RELATED [IUPAC] synonym: "heteroarenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33659 ! organic aromatic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33836 name: benzenoid aromatic compound namespace: chebi_ontology subset: 3_STAR synonym: "benzenoid aromatic compounds" RELATED [ChEBI] synonym: "benzenoid compound" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:33659 ! organic aromatic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33837 name: conjugated protein namespace: chebi_ontology def: "Conjugated protein is a protein that contains a non-peptide component, usually in stoichiometric proportion." [] subset: 3_STAR synonym: "complex protein" RELATED [COMe] synonym: "conjugated proteins" EXACT IUPAC_NAME [IUPAC] xref: COMe:PRX000001 is_a: CHEBI:36080 ! protein is_a: PR:000000001 ! protein property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33838 name: nucleoside namespace: chebi_ontology alt_id: CHEBI:13661 alt_id: CHEBI:25611 alt_id: CHEBI:7647 def: "An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents." [] subset: 3_STAR synonym: "a nucleoside" RELATED [UniProt] synonym: "Nucleoside" EXACT [KEGG_COMPOUND] synonym: "nucleosides" EXACT IUPAC_NAME [IUPAC] synonym: "nucleosides" RELATED [ChEBI] xref: KEGG:C00801 xref: Wikipedia:Nucleoside is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:26912 ! oxolanes is_a: CHEBI:61120 ! nucleobase-containing molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.115" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO" xsd:string [Term] id: CHEBI:33839 name: macromolecule namespace: chebi_ontology def: "A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." [] subset: 3_STAR synonym: "macromolecule" EXACT IUPAC_NAME [IUPAC] synonym: "macromolecules" RELATED [ChEBI] synonym: "polymer" RELATED [ChEBI] synonym: "polymer molecule" RELATED [IUPAC] synonym: "polymers" RELATED [ChEBI] xref: Wikipedia:Macromolecule is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33842 name: aromatic annulene namespace: chebi_ontology subset: 3_STAR synonym: "aromatic annulenes" RELATED [ChEBI] is_a: CHEBI:33662 ! annulene is_a: CHEBI:33847 ! monocyclic arene [Term] id: CHEBI:33847 name: monocyclic arene namespace: chebi_ontology def: "A monocyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "monocyclic arenes" RELATED [ChEBI] is_a: CHEBI:33658 ! arene [Term] id: CHEBI:33848 name: polycyclic arene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon." [] subset: 3_STAR synonym: "PAH" RELATED [ChEBI] synonym: "PAHs" RELATED [ChEBI] synonym: "polycyclic arenes" RELATED [ChEBI] synonym: "polycyclic aromatic hydrocarbons" RELATED [ChEBI] xref: PMID:15198916 {source="Europe PMC"} xref: PMID:25679824 {source="Europe PMC"} xref: Wikipedia:Polycyclic_aromatic_hydrocarbon is_a: CHEBI:33658 ! arene is_a: CHEBI:33666 ! polycyclic hydrocarbon relationship: has_role CHEBI:138015 ! endocrine disruptor relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] id: CHEBI:33853 name: phenols namespace: chebi_ontology alt_id: CHEBI:13664 alt_id: CHEBI:13825 alt_id: CHEBI:25969 alt_id: CHEBI:2857 def: "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring." [] subset: 3_STAR synonym: "a phenol" RELATED [UniProt] synonym: "arenols" RELATED [IUPAC] synonym: "Aryl alcohol" RELATED [KEGG_COMPOUND] synonym: "phenols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C15584 xref: MetaCyc:Phenols xref: Wikipedia:Phenols is_a: CDNO:0000013 ! plant secondary metabolite is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)*)*)O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33856 name: aromatic amino acid namespace: chebi_ontology alt_id: CHEBI:13820 alt_id: CHEBI:22623 alt_id: CHEBI:2835 def: "An amino acid whose structure includes an aromatic ring." [] subset: 3_STAR synonym: "Aromatic amino acid" EXACT [KEGG_COMPOUND] synonym: "aromatic amino acids" RELATED [ChEBI] xref: KEGG:C01021 xref: Wikipedia:Aromatic_amino_acid is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63473 ! aromatic amino-acid anion relationship: is_tautomer_of CHEBI:76042 ! aromatic amino-acid zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33859 name: aromatic carboxylic acid namespace: chebi_ontology alt_id: CHEBI:13817 alt_id: CHEBI:13821 alt_id: CHEBI:2830 def: "Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring." [] subset: 3_STAR synonym: "aromatic carboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:33659 ! organic aromatic compound relationship: is_conjugate_acid_of CHEBI:91007 ! aromatic carboxylate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33860 name: aromatic amine namespace: chebi_ontology alt_id: CHEBI:13827 alt_id: CHEBI:22622 alt_id: CHEBI:22646 alt_id: CHEBI:2834 alt_id: CHEBI:2863 def: "An amino compound in which the amino group is linked directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic amines" RELATED [ChEBI] synonym: "aryl amine" RELATED [ChEBI] synonym: "aryl amines" RELATED [ChEBI] synonym: "arylamine" RELATED [ChEBI] synonym: "arylamines" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:50047 ! organic amino compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33861 name: transition element coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "transition element coordination entities" RELATED [ChEBI] synonym: "transition metal coordination compounds" RELATED [ChEBI] synonym: "transition metal coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33497 ! transition element molecular entity [Term] id: CHEBI:33862 name: platinum coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "platinum coordination compounds" RELATED [ChEBI] synonym: "platinum coordination entities" RELATED [ChEBI] synonym: "platinum coordination entity" EXACT [ChEBI] is_a: CHEBI:33749 ! platinum molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:3387 name: carbamazepine namespace: chebi_ontology alt_id: CHEBI:115086 def: "A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant." [] subset: 3_STAR synonym: "5-Carbamoyl-5H-dibenz(b,f)azepine" RELATED [ChemIDplus] synonym: "5-carbamoyl-5H-dibenz[b,f]azepine" RELATED [NIST_Chemistry_WebBook] synonym: "5-Carbamoyl-5H-dibenzo(b,f)azepine" RELATED [ChemIDplus] synonym: "5-Carbamyl-5H-dibenzo(b,f)azepine" RELATED [ChemIDplus] synonym: "5H-Dibenz(b,f)azepine-5-carboxamide" RELATED [ChemIDplus] synonym: "5H-dibenzo[b,f]azepine-5-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "Carbamazepen" RELATED [ChemIDplus] synonym: "carbamazepina" RELATED INN [ChemIDplus] synonym: "carbamazepine" RELATED INN [ChemIDplus] synonym: "carbamazepinum" RELATED INN [ChemIDplus] synonym: "Carnexiv" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:1246090 {source="Beilstein"} xref: CAS:298-46-4 {source="NIST Chemistry WebBook"} xref: CAS:298-46-4 {source="ChemIDplus"} xref: CAS:298-46-4 {source="KEGG COMPOUND"} xref: Drug_Central:489 {source="DrugCentral"} xref: DrugBank:DB00564 xref: HMDB:HMDB0014704 xref: KEGG:C06868 xref: KEGG:D00252 xref: LINCS:LSM-3610 xref: Patent:US2004220187 xref: Patent:US2007167446 xref: Patent:US2011177136 xref: Patent:US2011245283 xref: Patent:US2948718 xref: PMID:10411478 {source="ChEMBL"} xref: PMID:11071486 {source="Europe PMC"} xref: PMID:11129121 {source="Europe PMC"} xref: PMID:11240598 {source="Europe PMC"} xref: PMID:11475584 {source="Europe PMC"} xref: PMID:11595204 {source="Europe PMC"} xref: PMID:11888243 {source="Europe PMC"} xref: PMID:11891095 {source="Europe PMC"} xref: PMID:12073283 {source="Europe PMC"} xref: PMID:12228880 {source="Europe PMC"} xref: PMID:12475188 {source="Europe PMC"} xref: PMID:12749779 {source="Europe PMC"} xref: PMID:12799799 {source="Europe PMC"} xref: PMID:12957643 {source="Europe PMC"} xref: PMID:14160216 {source="Europe PMC"} xref: PMID:14572037 {source="Europe PMC"} xref: PMID:14581052 {source="Europe PMC"} xref: PMID:14713026 {source="Europe PMC"} xref: PMID:14723323 {source="Europe PMC"} xref: PMID:15165631 {source="Europe PMC"} xref: PMID:15557493 {source="Europe PMC"} xref: PMID:15665743 {source="Europe PMC"} xref: PMID:15683742 {source="Europe PMC"} xref: PMID:15739418 {source="Europe PMC"} xref: PMID:15820347 {source="Europe PMC"} xref: PMID:15850602 {source="Europe PMC"} xref: PMID:16033627 {source="Europe PMC"} xref: PMID:16150575 {source="Europe PMC"} xref: PMID:16245817 {source="Europe PMC"} xref: PMID:16380297 {source="Europe PMC"} xref: PMID:16394456 {source="Europe PMC"} xref: PMID:16437428 {source="Europe PMC"} xref: PMID:16538175 {source="Europe PMC"} xref: PMID:16562645 {source="Europe PMC"} xref: PMID:16616830 {source="Europe PMC"} xref: PMID:16990009 {source="Europe PMC"} xref: PMID:17027750 {source="Europe PMC"} xref: PMID:17028629 {source="Europe PMC"} xref: PMID:17207414 {source="Europe PMC"} xref: PMID:17582711 {source="Europe PMC"} xref: PMID:17873967 {source="Europe PMC"} xref: PMID:17949959 {source="Europe PMC"} xref: PMID:18163657 {source="Europe PMC"} xref: PMID:18415623 {source="Europe PMC"} xref: PMID:18637155 {source="Europe PMC"} xref: PMID:18652684 {source="Europe PMC"} xref: PMID:18656520 {source="Europe PMC"} xref: PMID:18969759 {source="Europe PMC"} xref: PMID:19135617 {source="Europe PMC"} xref: PMID:19473818 {source="Europe PMC"} xref: PMID:19741433 {source="Europe PMC"} xref: PMID:19921623 {source="Europe PMC"} xref: PMID:22322005 {source="Europe PMC"} xref: PMID:27967303 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: Reaxys:1246090 {source="Reaxys"} xref: Wikipedia:Carbamazepine is_a: CHEBI:47804 ! dibenzoazepine is_a: CHEBI:47857 ! ureas relationship: has_role CHEBI:35477 ! antimanic drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38633 ! sodium channel blocker relationship: has_role CHEBI:52290 ! mitogen relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor relationship: has_role CHEBI:64370 ! glutamate transporter activator relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFGPTBGBLSHEPO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.26860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)N1c2ccccc2C=Cc2ccccc12" xsd:string [Term] id: CHEBI:33888 name: cobalt molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt compounds" RELATED [ChEBI] synonym: "cobalt molecular entities" RELATED [ChEBI] synonym: "cobalt molecular entity" EXACT [ChEBI] is_a: CHEBI:33767 ! cobalt group molecular entity relationship: has_part CHEBI:27638 ! cobalt atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33890 name: cobalt coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "cobalt coordination compounds" RELATED [ChEBI] synonym: "cobalt coordination entities" RELATED [ChEBI] synonym: "cobalt coordination entity" EXACT [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:33888 ! cobalt molecular entity [Term] id: CHEBI:33892 name: iron coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "iron coordination compounds" RELATED [ChEBI] synonym: "iron coordination entities" RELATED [ChEBI] synonym: "iron coordination entity" EXACT [ChEBI] is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:33893 name: reagent namespace: chebi_ontology def: "A substance used in a chemical reaction to detect, measure, examine, or produce other substances." [] subset: 3_STAR synonym: "reactif" RELATED [IUPAC] synonym: "reactivo" RELATED [IUPAC] synonym: "reagent" EXACT IUPAC_NAME [IUPAC] synonym: "reagents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:3390 name: carbaryl namespace: chebi_ontology def: "A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid." [] subset: 3_STAR synonym: "1-Naphthalenol, methylcarbamate" RELATED [ChemIDplus] synonym: "1-Naphthalenyl methylcarbamate" RELATED [ChemIDplus] synonym: "1-naphthol N-methylcarbamate" RELATED [ChEBI] synonym: "1-Naphthyl N-methylcarbamate" RELATED [ChEBI] synonym: "alpha-Naphthyl N-methylcarbamate" RELATED [ChEBI] synonym: "Carbaril" RELATED [KEGG_COMPOUND] synonym: "Carbaryl" EXACT [KEGG_COMPOUND] synonym: "carbaryl" EXACT [UniProt] synonym: "N-Methyl-1-naphthyl carbamate" RELATED [ChemIDplus] synonym: "N-Methyl-alpha-naphthylurethan" RELATED [ChemIDplus] synonym: "naphthalen-1-yl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Sevin" RELATED [ChemIDplus] xref: CAS:63-25-2 {source="ChemIDplus"} xref: CAS:63-25-2 {source="KEGG COMPOUND"} xref: CAS:63-25-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:3066 {source="DrugCentral"} xref: KEGG:C07491 xref: KEGG:D07613 xref: LINCS:LSM-37123 xref: PMID:15092421 {source="Europe PMC"} xref: PMID:15092693 {source="Europe PMC"} xref: PMID:19025094 {source="Europe PMC"} xref: PPDB:115 xref: Reaxys:1875862 {source="Reaxys"} xref: Wikipedia:Carbaryl is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:25477 ! naphthalenes relationship: has_functional_parent CHEBI:10319 ! 1-naphthol relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35219 ! plant growth retardant relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CVXBEEMKQHEXEN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.22128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1cccc2ccccc12" xsd:string [Term] id: CHEBI:33904 name: molluscicide namespace: chebi_ontology def: "A substance used to destroy pests of the phylum Mollusca." [] subset: 3_STAR synonym: "molluscicides" RELATED [ChEBI] xref: Wikipedia:Molluscicide is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:33906 name: cobalt corrinoid namespace: chebi_ontology subset: 3_STAR synonym: "cobalt corrinoids" RELATED [ChEBI] synonym: "cobalt-corrinoids" RELATED [ChEBI] is_a: CHEBI:33890 ! cobalt coordination entity is_a: CHEBI:33909 ! metallotetrapyrrole is_a: CHEBI:33913 ! corrinoid [Term] id: CHEBI:33909 name: metallotetrapyrrole namespace: chebi_ontology subset: 3_STAR synonym: "metal-tetrapyrrole" RELATED [ChEBI] synonym: "metal-tetrapyrrole complex" RELATED [ChEBI] synonym: "metallotetrapyrroles" RELATED [ChEBI] is_a: CHEBI:36309 ! cyclic tetrapyrrole [Term] id: CHEBI:33913 name: corrinoid namespace: chebi_ontology alt_id: CHEBI:23391 alt_id: CHEBI:3890 def: "A derivative of the corrin nucleus, which contains four reduced or partly reduced pyrrole rings joined in a macrocycle by three =C- groups and one direct carbon-carbon bond linking alpha positions." [] subset: 3_STAR synonym: "Corrinoid" EXACT [KEGG_COMPOUND] synonym: "corrinoid" EXACT [UniProt] synonym: "Corrinoid protein" RELATED [KEGG_COMPOUND] synonym: "Corrinoid protein Co+" RELATED [KEGG_COMPOUND] synonym: "corrinoide" RELATED [IUPAC] synonym: "corrinoides" RELATED [IUPAC] synonym: "corrinoids" EXACT IUPAC_NAME [IUPAC] synonym: "Korrinoid" RELATED [ChEBI] xref: KEGG:C06021 is_a: CHEBI:36309 ! cyclic tetrapyrrole relationship: has_role CHEBI:23357 ! cofactor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19HN4R21" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "285.239" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "285.02012" xsd:string [Term] id: CHEBI:33916 name: aldopentose namespace: chebi_ontology def: "A pentose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldopentose" EXACT [ChEBI] synonym: "aldopentoses" RELATED [ChEBI] xref: PMID:10723607 {source="Europe PMC"} is_a: CHEBI:15693 ! aldose is_a: CHEBI:25901 ! pentose [Term] id: CHEBI:33917 name: aldohexose namespace: chebi_ontology alt_id: CHEBI:2558 def: "A hexose with a (potential) aldehyde group at one end." [] subset: 3_STAR synonym: "aldohexose" EXACT [ChEBI] synonym: "aldohexoses" RELATED [ChEBI] is_a: CHEBI:15693 ! aldose is_a: CHEBI:18133 ! hexose property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3392 name: carbendazim namespace: chebi_ontology def: "A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables." [] subset: 3_STAR synonym: "1H-benzimidazol-2-ylcarbamic acid methyl ester" RELATED [ChEBI] synonym: "2-(Methoxy-carbonylamino)-benzimidazol" RELATED [ChemIDplus] synonym: "2-(methoxycarbonylamino)-benzimidazole" RELATED [ChemIDplus] synonym: "2-(methoxycarbonylamino)benzimidazole" RELATED [ChEBI] synonym: "2-benzimidazolecarbamic acid methyl ester" RELATED [ChEBI] synonym: "BMC" RELATED [ChEBI] synonym: "Carbendazim" EXACT [KEGG_COMPOUND] synonym: "carbendazime" RELATED [ChemIDplus] synonym: "MBC" RELATED [ChEBI] synonym: "Mecarzole" RELATED [KEGG_COMPOUND] synonym: "methyl 1H-benzimidazol-2-ylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl 2-benzimidazolecarbamate" RELATED [ChemIDplus] synonym: "methyl benzimidazol-2-ylcarbamate" RELATED [ChemIDplus] xref: CAS:10605-21-7 {source="KEGG COMPOUND"} xref: CAS:10605-21-7 {source="ChemIDplus"} xref: HMDB:HMDB0031769 xref: KEGG:C10897 xref: Patent:US3010968 xref: Pesticides:carbendazim {source="Alan Wood's Pesticides"} xref: PMID:20833408 {source="Europe PMC"} xref: PMID:21315898 {source="Europe PMC"} xref: PMID:22077925 {source="Europe PMC"} xref: PMID:22903170 {source="Europe PMC"} xref: PPDB:116 xref: Reaxys:649044 {source="Reaxys"} xref: Wikipedia:Carbendazim is_a: CHEBI:87036 ! benzimidazole fungicide is_a: CHEBI:87064 ! benzimidazolylcarbamate fungicide relationship: has_functional_parent CHEBI:27822 ! 2-aminobenzimidazole relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:61951 ! microtubule-destabilising agent relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWFZGCMQGLPBSX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "191.18670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "191.06948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)Nc1nc2ccccc2[nH]1" xsd:string [Term] id: CHEBI:33937 name: macronutrient namespace: chebi_ontology def: "Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals." [] subset: 1_STAR subset: 3_STAR synonym: "macronutrients" RELATED [ChEBI] is_a: CHEBI:33284 ! nutrient [Term] id: CHEBI:3394 name: carbetamide namespace: chebi_ontology def: "A carbamate ester obtained by the formal condensation of phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide." [] subset: 3_STAR synonym: "(2S)-1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND23225565 {source="Europe PMC"} xref: CAS:16118-49-3 {source="KEGG COMPOUND"} xref: CAS:16118-49-3 {source="ChemIDplus"} xref: CAS:16118-49-3 {source="NIST Chemistry WebBook"} xref: KEGG:C11075 xref: Pesticides:carbetamide {source="Alan Wood's Pesticides"} xref: PMID:20183088 {source="Europe PMC"} xref: PMID:5016617 {source="Europe PMC"} xref: Reaxys:2983326 {source="Reaxys"} is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:29347 ! monocarboxylic acid amide relationship: has_functional_parent CHEBI:52496 ! phenylcarbamic acid relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H16N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMRQXHFXNZFDCH-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.26700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.11609" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1" xsd:string [Term] id: CHEBI:33942 name: ribose namespace: chebi_ontology alt_id: CHEBI:26564 def: "Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature." [] subset: 3_STAR synonym: "Rib" RELATED [JCBN] synonym: "ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33916 ! aldopentose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:33958 name: halide salt namespace: chebi_ontology subset: 3_STAR synonym: "halide salts" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:37578 ! halide relationship: has_part CHEBI:16042 ! halide anion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33963 name: metallocene namespace: chebi_ontology def: "Organometallic coordination compounds in which one atom of a transition metal such as iron, ruthenium or osmium is bonded to and only to the face of two cyclopentadienyl [eta(5)-(C5H5)] ligands which lie in parallel planes. The term should not be used for analogues having rings other than cyclopentadienyl as ligands." [] subset: 3_STAR synonym: "Metallocen" RELATED [ChEBI] synonym: "metallocene" EXACT IUPAC_NAME [IUPAC] synonym: "metallocene" EXACT [IUPAC] synonym: "metallocenes" EXACT IUPAC_NAME [IUPAC] synonym: "metallocenes" RELATED [ChEBI] synonym: "metaloceno" RELATED [IUPAC] synonym: "metalocenos" RELATED [IUPAC] is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:33964 name: silver molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "silver compounds" RELATED [ChEBI] synonym: "silver molecular entities" RELATED [ChEBI] synonym: "silver molecular entity" EXACT [ChEBI] is_a: CHEBI:33745 ! copper group molecular entity relationship: has_part CHEBI:30512 ! silver atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33966 name: elemental silver namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR xref: Codex:\:174 xref: Europe:\:174 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3238 is_a: CHEBI:33964 ! silver molecular entity is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "silver" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33969 name: gold molecular entity namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR synonym: "gold compounds" RELATED [ChEBI] synonym: "gold molecular entities" RELATED [ChEBI] synonym: "gold molecular entity" EXACT [ChEBI] xref: Codex:\:175 xref: Europe:\:175 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3111 is_a: CHEBI:33745 ! copper group molecular entity is_a: FOODON:03412972 ! food additive relationship: has_part CHEBI:29287 ! gold atom property_value: hasSynonym "gold, metallic" xsd:string property_value: IAO:0000118 "gold" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33970 name: elemental gold namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33969 ! gold molecular entity [Term] id: CHEBI:33973 name: elemental magnesium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25108 ! magnesium molecular entity [Term] id: CHEBI:33977 name: metallic base namespace: chebi_ontology subset: 3_STAR synonym: "metallic bases" RELATED [ChEBI] is_a: CHEBI:52625 ! inorganic hydroxy compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33978 name: alkali metal hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal base" RELATED [ChEBI] synonym: "alkali metal bases" RELATED [ChEBI] synonym: "alkali metal hydroxides" RELATED [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity is_a: CHEBI:33977 ! metallic base property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:33988 name: caesium hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "caesium hydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "cesium hydrate" RELATED [NIST_Chemistry_WebBook] synonym: "cesium hydroxide" RELATED [NIST_Chemistry_WebBook] synonym: "CsOH" RELATED [IUPAC] xref: CAS:21351-79-1 {source="NIST Chemistry WebBook"} xref: CAS:21351-79-1 {source="ChemIDplus"} xref: Gmelin:100572 {source="Gmelin"} is_a: CHEBI:33978 ! alkali metal hydroxide is_a: CHEBI:37128 ! caesium molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CsHO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cs.H2O/h;1H2/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HUCVOHYBFXVBRW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.91279" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.90819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[OH-].[Cs+]" xsd:string [Term] id: CHEBI:33989 name: alkaline earth hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth base" RELATED [ChEBI] synonym: "alkaline earth bases" RELATED [ChEBI] synonym: "alkaline earth hydroxides" RELATED [ChEBI] synonym: "alkaline-earth bases" RELATED [ChEBI] synonym: "alkaline-earth hydroxides" RELATED [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity is_a: CHEBI:33977 ! metallic base property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:34024 name: 1,1,1,2-tetrachloroethane namespace: chebi_ontology subset: 3_STAR synonym: "1,1,1,2-Tetrachloraethan" RELATED [ChEBI] synonym: "1,1,1,2-tetrachlorethane" RELATED [ChemIDplus] synonym: "1,1,1,2-Tetrachloroethane" EXACT [KEGG_COMPOUND] synonym: "1,1,1,2-tetrachloroethane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1733216 {source="ChemIDplus"} xref: CAS:630-20-6 {source="NIST Chemistry WebBook"} xref: CAS:630-20-6 {source="ChemIDplus"} xref: CAS:630-20-6 {source="KEGG COMPOUND"} xref: Gmelin:404970 {source="Gmelin"} xref: KEGG:C14705 xref: PPDB:1633 is_a: CHEBI:36016 ! chloroethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVLAWKAXOMEXPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.84808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.89106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:34031 name: 1,1-dichloroethene namespace: chebi_ontology def: "A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines." [] subset: 3_STAR synonym: "1,1-DCE" RELATED [KEGG_COMPOUND] synonym: "1,1-dichloroethene" EXACT [UniProt] synonym: "1,1-dichloroethene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1-Dichloroethylene" RELATED [KEGG_COMPOUND] synonym: "Vinylidene chloride" RELATED [KEGG_COMPOUND] synonym: "vinylidene dichloride" RELATED [ChemIDplus] xref: Beilstein:1733365 {source="Beilstein"} xref: CAS:75-35-4 {source="ChemIDplus"} xref: CAS:75-35-4 {source="NIST Chemistry WebBook"} xref: CAS:75-35-4 {source="KEGG COMPOUND"} xref: Gmelin:100784 {source="Gmelin"} xref: KEGG:C14039 xref: PMID:12778208 {source="Europe PMC"} xref: PMID:16807210 {source="Europe PMC"} xref: PMID:3510861 {source="Europe PMC"} xref: PMID:470972 {source="Europe PMC"} xref: Reaxys:1733365 {source="Reaxys"} xref: Wikipedia:1\,1-Dichloroethene is_a: CHEBI:23142 ! chloroethenes relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGXVIGDEPROXKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.94268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)=C" xsd:string [Term] id: CHEBI:34036 name: 1,2,3-Trichloropropane namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3-Trichloropropane" EXACT [KEGG_COMPOUND] xref: CAS:96-18-4 {source="KEGG COMPOUND"} xref: KEGG:C14400 xref: PPDB:1635 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CFXQEHVMCRXUSD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.431" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.94568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC(Cl)CCl" xsd:string [Term] id: CHEBI:34037 name: 1,2,3-trimethylbenzene namespace: chebi_ontology def: "A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea." [] subset: 3_STAR synonym: "1,2,3-Trimethylbenzene" EXACT [KEGG_COMPOUND] synonym: "1,2,3-trimethylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "hemellitol" RELATED [ChemIDplus] synonym: "Hemimellitene" RELATED [KEGG_COMPOUND] synonym: "hemimellitol" RELATED [ChemIDplus] xref: Beilstein:1903410 {source="ChemIDplus"} xref: CAS:526-73-8 {source="KEGG COMPOUND"} xref: CAS:526-73-8 {source="NIST Chemistry WebBook"} xref: Gmelin:326517 {source="Gmelin"} xref: HMDB:HMDB0059901 xref: KEGG:C14518 xref: PMID:10028199 {source="Europe PMC"} xref: PMID:11109746 {source="Europe PMC"} xref: PMID:1129786 {source="Europe PMC"} xref: PMID:22349896 {source="Europe PMC"} xref: PMID:23365607 {source="Europe PMC"} xref: PMID:9117193 {source="Europe PMC"} xref: Reaxys:1903410 {source="Reaxys"} xref: Wikipedia:1\,2\,3-Trimethylbenzene is_a: CHEBI:38641 ! trimethylbenzene relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYGHSUNMUKGBRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.19158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(C)c1C" xsd:string [Term] id: CHEBI:34039 name: 1,2,4-trimethylbenzene namespace: chebi_ontology def: "A trimethylbenzene carrying methyl groups at positions 1, 2 and 4." [] subset: 3_STAR synonym: "1,2,4-Trimethylbenzene" EXACT [KEGG_COMPOUND] synonym: "1,2,4-trimethylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,4-Trimethylbenzene" RELATED [ChemIDplus] synonym: "as-Trimethylbenzene" RELATED [ChemIDplus] synonym: "Pseudocumene" RELATED [KEGG_COMPOUND] synonym: "Pseudocumol" RELATED [ChemIDplus] synonym: "Psi-cumene" RELATED [ChemIDplus] synonym: "psi-Cumene" RELATED [NIST_Chemistry_WebBook] synonym: "Uns-trimethylbenzene" RELATED [ChemIDplus] xref: Beilstein:1903005 {source="Beilstein"} xref: CAS:95-63-6 {source="KEGG COMPOUND"} xref: CAS:95-63-6 {source="NIST Chemistry WebBook"} xref: CAS:95-63-6 {source="ChemIDplus"} xref: HMDB:HMDB0013733 xref: KEGG:C14533 xref: MetaCyc:PSEUDOCUMENE xref: PMID:12038862 {source="Europe PMC"} xref: PMID:12705719 {source="Europe PMC"} xref: PMID:9091763 {source="Europe PMC"} xref: PMID:9117193 {source="Europe PMC"} xref: Reaxys:1903005 {source="Reaxys"} xref: Wikipedia:1\,2\,4-Trimethylbenzene is_a: CHEBI:38641 ! trimethylbenzene relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWHJZXXIDMPWGX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.19158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(C)c(C)c1" xsd:string [Term] id: CHEBI:34043 name: 1,2-phenylenediamine namespace: chebi_ontology def: "A phenylenediamine in which the two amino groups are ortho to each other." [] subset: 3_STAR synonym: "1,2-Diaminobenzene" RELATED [KEGG_COMPOUND] synonym: "2-Aminoaniline" RELATED [ChemIDplus] synonym: "2-Phenylene diamine" RELATED [KEGG_COMPOUND] synonym: "benzene-1,2-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "o-Phenylenediamine" RELATED [KEGG_COMPOUND] synonym: "OPDA" RELATED [ChemIDplus] synonym: "phenylene-1,2-dimaine" RELATED [ChEBI] xref: Beilstein:606074 {source="Beilstein"} xref: CAS:95-54-5 {source="KEGG COMPOUND"} xref: CAS:95-54-5 {source="ChemIDplus"} xref: CAS:95-54-5 {source="NIST Chemistry WebBook"} xref: KEGG:C14402 xref: PMID:23099167 {source="Europe PMC"} xref: PMID:23172354 {source="Europe PMC"} xref: PMID:23220522 {source="Europe PMC"} xref: PMID:23232561 {source="Europe PMC"} xref: PMID:23245188 {source="Europe PMC"} xref: PMID:23317160 {source="Europe PMC"} xref: PMID:23323634 {source="Europe PMC"} xref: PMID:23364618 {source="Europe PMC"} xref: PMID:23452313 {source="Europe PMC"} xref: PMID:2420897 {source="Europe PMC"} xref: PMID:9025914 {source="Europe PMC"} xref: Reaxys:606074 {source="Reaxys"} xref: Wikipedia:O-Phenylenediamine is_a: CHEBI:51402 ! phenylenediamine relationship: has_parent_hydride CHEBI:16716 ! benzene relationship: has_role CHEBI:17499 ! hydrogen donor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GEYOCULIXLDCMW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.14120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccccc1N" xsd:string [Term] id: CHEBI:34044 name: 1,2-Dibromo-3-chloropropane namespace: chebi_ontology subset: 2_STAR synonym: "1,2-Dibromo-3-chloropropane" EXACT [KEGG_COMPOUND] synonym: "DBCP" RELATED [KEGG_COMPOUND] xref: CAS:96-12-8 {source="KEGG COMPOUND"} xref: KEGG:C14336 xref: PPDB:1441 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5Br2Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBEJYOJJBDISQU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.332" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.84465" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC(Br)CBr" xsd:string [Term] id: CHEBI:3405 name: carboxin namespace: chebi_ontology def: "An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment." [] subset: 3_STAR synonym: "2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin" RELATED [ChemIDplus] synonym: "2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide" RELATED [NIST_Chemistry_WebBook] synonym: "2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin" RELATED [ChemIDplus] synonym: "2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide" RELATED [ChemIDplus] synonym: "5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin" RELATED [ChemIDplus] synonym: "5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide" RELATED [ChemIDplus] synonym: "5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin" RELATED [ChemIDplus] synonym: "Carbathiin" RELATED [ChemIDplus] synonym: "Carboxine" RELATED [ChemIDplus] synonym: "oxatin" RELATED [MetaCyc] xref: Beilstein:983249 {source="ChemIDplus"} xref: CAS:5234-68-4 {source="NIST Chemistry WebBook"} xref: CAS:5234-68-4 {source="ChemIDplus"} xref: CAS:5234-68-4 {source="KEGG COMPOUND"} xref: KEGG:C11255 xref: LINCS:LSM-25660 xref: MetaCyc:CPD0-1366 xref: PDBeChem:CBE xref: Pesticides:carboxin {source="Alan Wood's Pesticides"} xref: PMID:21228470 {source="Europe PMC"} xref: PMID:23047320 {source="Europe PMC"} xref: PMID:23261124 {source="Europe PMC"} xref: PMID:24119086 {source="Europe PMC"} xref: PMID:24785712 {source="Europe PMC"} xref: PPDB:122 xref: Reaxys:983249 {source="Reaxys"} is_a: CHEBI:13248 ! anilide is_a: CHEBI:140325 ! secondary carboxamide is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38106 ! organosulfur heterocyclic compound is_a: CHEBI:51751 ! enamide is_a: CHEBI:87015 ! anilide fungicide relationship: has_role CHEBI:83072 ! EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GYSSRZJIHXQEHQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.30200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "235.06670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(SCCO1)C(=O)Nc1ccccc1" xsd:string [Term] id: CHEBI:34053 name: 1,2-dinitrobenzene namespace: chebi_ontology subset: 3_STAR synonym: "1,2-Dinitrobenzene" EXACT [KEGG_COMPOUND] synonym: "1,2-dinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2-Dinitrobenzol" RELATED [ChemIDplus] synonym: "o-Dinitrobenzene" RELATED [KEGG_COMPOUND] xref: Beilstein:642224 {source="Beilstein"} xref: CAS:528-29-0 {source="KEGG COMPOUND"} xref: KEGG:C14702 is_a: CHEBI:51396 ! dinitrobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IZUKQUVSCNEFMJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.10700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.01711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:34066 name: 1,6-Dinitropyrene namespace: chebi_ontology subset: 2_STAR synonym: "1,6-Dinitropyrene" EXACT [KEGG_COMPOUND] xref: CAS:42397-64-8 {source="KEGG COMPOUND"} xref: KEGG:C14424 is_a: CHEBI:59659 ! pyrenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H8N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUXACCKTQWVTLG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.04841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+]([O-])=O" xsd:string [Term] id: CHEBI:34069 name: 1,8-Dinitropyrene namespace: chebi_ontology subset: 2_STAR synonym: "1,8-Dinitropyrene" EXACT [KEGG_COMPOUND] xref: CAS:42397-65-9 {source="KEGG COMPOUND"} xref: KEGG:C14423 is_a: CHEBI:59659 ! pyrenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H8N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BLYXNIHKOMELAP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.04841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc2ccc3ccc([N+]([O-])=O)c4ccc1c2c34" xsd:string [Term] id: CHEBI:34073 name: Delta(1)-progesterone namespace: chebi_ontology def: "A 3-oxo Delta(4)-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2." [] subset: 3_STAR synonym: "1,2-dehydroprogesterone" RELATED [ChemIDplus] synonym: "1,2-didehydroprogesterone" RELATED [ChEBI] synonym: "1-Dehydroprogesterone" RELATED [KEGG_COMPOUND] synonym: "3,20-dioxo-1,4-pregnadiene" RELATED [ChEBI] synonym: "3,20-dioxo-pregna-1,4-diene" RELATED [ChEBI] synonym: "delta1-Progesterone" RELATED [KEGG_COMPOUND] synonym: "Pregna-1,4-diene-3,20-dione" RELATED [KEGG_COMPOUND] synonym: "pregna-1,4-diene-3,20-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1999508 {source="Beilstein"} xref: CAS:1162-54-5 {source="ChemIDplus"} xref: CAS:1162-54-5 {source="KEGG COMPOUND"} xref: KEGG:C14677 xref: Reaxys:1999508 {source="Reaxys"} is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid relationship: has_functional_parent CHEBI:17026 ! progesterone relationship: has_parent_hydride CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIEPWCSVQYUPIY-LEKSSAKUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.44582" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O" xsd:string [Term] id: CHEBI:34104 name: 1-nitronaphthalene namespace: chebi_ontology def: "A mononitronaphthalene substituted by a nitro group at position 1." [] subset: 3_STAR synonym: "1-Nitronaphthalene" EXACT [KEGG_COMPOUND] synonym: "1-nitronaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-nitronaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "Nitrol" RELATED [ChemIDplus] xref: Beilstein:1867714 {source="Beilstein"} xref: CAS:86-57-7 {source="KEGG COMPOUND"} xref: CAS:86-57-7 {source="ChemIDplus"} xref: CAS:86-57-7 {source="NIST Chemistry WebBook"} xref: KEGG:C14040 xref: PMID:21264431 {source="Europe PMC"} xref: PMID:21420130 {source="Europe PMC"} xref: PMID:21922113 {source="Europe PMC"} xref: PMID:22894348 {source="Europe PMC"} xref: PMID:23013142 {source="Europe PMC"} xref: PMID:9020398 {source="Europe PMC"} xref: Reaxys:1867714 {source="Reaxys"} is_a: CHEBI:50632 ! mononitronaphthalene relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJKGJBPXVHTNJL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.16812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cccc2ccccc12" xsd:string [Term] id: CHEBI:34107 name: 1-nitropyrene namespace: chebi_ontology alt_id: CHEBI:76262 def: "A nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it is the predominant nitrated polycyclic aromatic hydrocarbon emitted in a diesel engine." [] subset: 3_STAR synonym: "1-Nitropyrene" EXACT [KEGG_COMPOUND] synonym: "1-nitropyrene" EXACT IUPAC_NAME [IUPAC] synonym: "3-Nitropyrene" RELATED [ChemIDplus] xref: Beilstein:1882811 {source="ChemIDplus"} xref: CAS:5522-43-0 {source="ChemIDplus"} xref: CAS:5522-43-0 {source="KEGG COMPOUND"} xref: KEGG:C14421 xref: PMID:21861515 {source="Europe PMC"} xref: PMID:21872649 {source="Europe PMC"} xref: PMID:22458822 {source="Europe PMC"} xref: PMID:23348104 {source="Europe PMC"} xref: Reaxys:1882811 {source="Reaxys"} xref: Wikipedia:1-Nitropyrene is_a: CHEBI:51132 ! nitroarene relationship: has_parent_hydride CHEBI:39106 ! pyrene relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ALRLPDGCPYIVHP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "247.24820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "247.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34" xsd:string [Term] id: CHEBI:34197 name: 2,2',3,3',5,5'-hexachlorobiphenyl namespace: chebi_ontology def: "A hexachlorobiphenyl that is biphenyl in which the hydrogens at the 2, 3, and 5 positions of each of the benzene rings are replaced by chlorines." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,2',3,3',5,5'-Hexachloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,2',3,3',5,5'-hexachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',3,3',5,5'-Hexachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,3,5,2',3',5'-Hexachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 133" RELATED [KEGG_COMPOUND] xref: Beilstein:2288106 {source="Beilstein"} xref: CAS:35694-04-3 {source="KEGG COMPOUND"} xref: CAS:35694-04-3 {source="NIST Chemistry WebBook"} xref: CAS:35694-04-3 {source="ChemIDplus"} xref: KEGG:C14367 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJKLKINFZLWHQE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(Cl)c(c1)-c1cc(Cl)cc(Cl)c1Cl" xsd:string [Term] id: CHEBI:34199 name: 2,2',3,3',6,6'-hexachlorobiphenyl namespace: chebi_ontology subset: 3_STAR synonym: "2,2',3,3',6,6'-hexachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',3,3',6,6'-Hexachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,3,6,2',3',6'-Hexachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 136" RELATED [KEGG_COMPOUND] xref: Beilstein:2294224 {source="Beilstein"} xref: CAS:38411-22-2 {source="NIST Chemistry WebBook"} xref: CAS:38411-22-2 {source="ChemIDplus"} xref: CAS:38411-22-2 {source="KEGG COMPOUND"} xref: KEGG:C14369 is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZFUUSROAHKTTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)c(c1Cl)-c1c(Cl)ccc(Cl)c1Cl" xsd:string [Term] id: CHEBI:34202 name: 2,2',4,4',5,5'-hexachlorobiphenyl namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,2',4,4',5,5'-hexachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',4,4',5,5'-Hexachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,4,5,2',4',5'-Hexachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 153" RELATED [KEGG_COMPOUND] xref: Beilstein:1990497 {source="Beilstein"} xref: CAS:35065-27-1 {source="KEGG COMPOUND"} xref: CAS:35065-27-1 {source="NIST Chemistry WebBook"} xref: CAS:35065-27-1 {source="ChemIDplus"} xref: KEGG:C14201 is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MVWHGTYKUMDIHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34203 name: 2,2',4,4',6,6'-hexachlorobiphenyl namespace: chebi_ontology def: "A hexachlorobiphenyl that is biphenyl in which both of the phenyl rings are substituted at positons 2, 4, and 6 by chlorines." [] subset: 3_STAR synonym: "2,2',4,4',6,6'-Hcb" RELATED [ChemIDplus] synonym: "2,2',4,4',6,6'-hexachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',4,4',6,6'-Hexachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,2',4,4',6,6'-Hexachlorodiphenyl" RELATED [ChemIDplus] synonym: "2,4,6,2',4',6'-Hexachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 155" RELATED [KEGG_COMPOUND] xref: Beilstein:2058693 {source="Beilstein"} xref: CAS:33979-03-2 {source="ChemIDplus"} xref: CAS:33979-03-2 {source="KEGG COMPOUND"} xref: CAS:33979-03-2 {source="NIST Chemistry WebBook"} xref: KEGG:C14202 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ICOAEPDGFWLUTI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(c(Cl)c1)-c1c(Cl)cc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34204 name: 2,2',4,4'-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,2',4,4'-tetrachloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,2',4,4'-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',4,4'-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,2',4,4'-Tetrachlorodiphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,2',4'-Tetrachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 47" RELATED [KEGG_COMPOUND] xref: Beilstein:2052543 {source="Beilstein"} xref: CAS:2437-79-8 {source="KEGG COMPOUND"} xref: CAS:2437-79-8 {source="NIST Chemistry WebBook"} xref: CAS:2437-79-8 {source="ChemIDplus"} xref: KEGG:C14247 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QORAVNMWUNPXAO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(c(Cl)c1)-c1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34205 name: 2,2',4,5-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 4, 5, and 2' are replaced by chlorines." [] subset: 3_STAR synonym: "2,2',4,5-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',4,5-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,2',4,5-tetrachlorodiphenyl" RELATED [ChEBI] synonym: "PCB 48" RELATED [KEGG_COMPOUND] xref: Beilstein:6401616 {source="Beilstein"} xref: CAS:70362-47-9 {source="KEGG COMPOUND"} xref: KEGG:C14360 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBTHILIDLBPRPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1-c1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34206 name: 2,2',5,5'-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines." [] subset: 3_STAR synonym: "2,2',5,5'-TCB" RELATED [KEGG_COMPOUND] synonym: "2,2',5,5'-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,2',5,5'-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,3',5,6'-tetrachlorobiphenyl" RELATED [ChemIDplus] synonym: "2,5,2',5'-tetrachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 52" RELATED [KEGG_COMPOUND] xref: Beilstein:2053828 {source="Beilstein"} xref: CAS:35693-99-3 {source="KEGG COMPOUND"} xref: CAS:35693-99-3 {source="NIST Chemistry WebBook"} xref: CAS:35693-99-3 {source="ChemIDplus"} xref: KEGG:C14199 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCWZEPKLWVAEOV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)c(c1)-c1cc(Cl)ccc1Cl" xsd:string [Term] id: CHEBI:34215 name: 2,3',5-trichlorobiphenyl namespace: chebi_ontology def: "A trichlorobiphenyl that is 1,4-dichlorobenzene in which one of the hydrogens has been replaced by a 3-chlorophenyl group." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3',5-trichloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,3',5-trichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,5,3'-Trichlorobiphenyl" RELATED [ChemIDplus] synonym: "3,2',5'-Trichlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 26" RELATED [KEGG_COMPOUND] xref: Beilstein:4415968 {source="Beilstein"} xref: CAS:38444-81-4 {source="NIST Chemistry WebBook"} xref: CAS:38444-81-4 {source="ChemIDplus"} xref: CAS:38444-81-4 {source="KEGG COMPOUND"} xref: KEGG:C14358 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36719 ! trichlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONNCPBRWFSKDMQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.54208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.96133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(c1)-c1cc(Cl)ccc1Cl" xsd:string [Term] id: CHEBI:34216 name: 2,3,3',4,5-pentachlorobiphenyl namespace: chebi_ontology subset: 3_STAR synonym: "2,3,3',4,5-pentachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,3',4,5-Pentachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,3,4,5,3'-pentachlorobiphenyl" RELATED [ChEBI] synonym: "PCB 106" RELATED [KEGG_COMPOUND] xref: Beilstein:4464227 {source="Beilstein"} xref: CAS:70424-69-0 {source="KEGG COMPOUND"} xref: KEGG:C14365 is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQENMISTWGTJIJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34218 name: 2,3,4,4'-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl in which the chlorines are positions at positions 2, 3, 4, and 4'." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3,4,4'-tetrachloro-" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-Biphenyl, 2,3,4,4'-tetrachloro-" RELATED [ChemIDplus] synonym: "2,3,4,4'-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,4,4'-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 60" RELATED [KEGG_COMPOUND] xref: Beilstein:5016362 {source="Beilstein"} xref: CAS:33025-41-1 {source="NIST Chemistry WebBook"} xref: CAS:33025-41-1 {source="ChemIDplus"} xref: CAS:33025-41-1 {source="KEGG COMPOUND"} xref: KEGG:C14361 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLDBTRJKXLKYTC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1ccc(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34219 name: 2,3,4,5,6-pentachlorobiphenyl namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3,4,5,6-pentachloro-" RELATED [ChemIDplus] synonym: "2,3,4,5,6-pentachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,4,5,6-Pentachlorobiphenyl" EXACT [NIST_Chemistry_WebBook] synonym: "2,3,4,5,6-Pentachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 116" RELATED [KEGG_COMPOUND] xref: Beilstein:2056539 {source="Beilstein"} xref: CAS:18259-05-7 {source="KEGG COMPOUND"} xref: CAS:18259-05-7 {source="NIST Chemistry WebBook"} xref: CAS:18259-05-7 {source="ChemIDplus"} xref: KEGG:C14366 is_a: CHEBI:36721 ! pentachlorobiphenyl is_a: CHEBI:83390 ! pentachlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GGMPTLAAIUQMIE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34221 name: 2,3,4,5-tetrachlorobiphenyl namespace: chebi_ontology subset: 3_STAR synonym: "2,3,4,5-Tetrachloro-1,1'-biphenyl" RELATED [ChemIDplus] synonym: "2,3,4,5-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,4,5-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 61" RELATED [KEGG_COMPOUND] xref: Beilstein:1971826 {source="Beilstein"} xref: CAS:33284-53-6 {source="NIST Chemistry WebBook"} xref: CAS:33284-53-6 {source="KEGG COMPOUND"} xref: CAS:33284-53-6 {source="ChemIDplus"} xref: KEGG:C14362 is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HLQDGCWIOSOMDP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34222 name: 2,3,4-trichlorobiphenyl namespace: chebi_ontology def: "A trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3,4-trichloro-" RELATED [ChemIDplus] synonym: "2,3,4-trichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,4-Trichlorobiphenyl" EXACT [NIST_Chemistry_WebBook] synonym: "2,3,4-Trichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 21" RELATED [KEGG_COMPOUND] xref: CAS:55702-46-0 {source="KEGG COMPOUND"} xref: CAS:55702-46-0 {source="NIST Chemistry WebBook"} xref: CAS:55702-46-0 {source="ChemIDplus"} xref: KEGG:C14357 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36719 ! trichlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUYHQGMDSZOPDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.54208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.96133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(-c2ccccc2)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34224 name: 2,3,5,6-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which one of the phenyl groups is substituted by chlorines at positions 2, 3, 5, and 6." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3,5,6-tetrachloro-" RELATED [ChemIDplus] synonym: "2,3,5,6-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,5,6-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 65" RELATED [KEGG_COMPOUND] xref: CAS:33284-54-7 {source="ChemIDplus"} xref: CAS:33284-54-7 {source="KEGG COMPOUND"} xref: KEGG:C14363 is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-8-6-9(14)12(16)10(11(8)15)7-4-2-1-3-5-7/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BLAYIQLVUNIICD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl" xsd:string [Term] id: CHEBI:34225 name: 2,3,6-trichlorobiphenyl namespace: chebi_ontology def: "A trichlorobiphenyl that is 1,2,4-trichlorobenzene in which the hydrogen at position 3 has been replaced by a phenyl group." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,3,6-trichloro-" RELATED [ChemIDplus] synonym: "2,3,6-trichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,6-Trichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 24" RELATED [KEGG_COMPOUND] xref: CAS:55702-45-9 {source="KEGG COMPOUND"} xref: CAS:55702-45-9 {source="ChemIDplus"} xref: KEGG:C14359 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36719 ! trichlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LVROLHVSYNLFBE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.54208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.96133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)c(-c2ccccc2)c1Cl" xsd:string [Term] id: CHEBI:34232 name: 2,4'-dichlorobiphenyl namespace: chebi_ontology def: "A dichlorobiphenyl that is chlorobenzene in which the hydrogen at position 2 has been replaced by a 4-chlorophenyl group." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,4'-dichloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,4'-dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,4'-Dichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 8" RELATED [KEGG_COMPOUND] xref: CAS:34883-43-7 {source="ChemIDplus"} xref: CAS:34883-43-7 {source="NIST Chemistry WebBook"} xref: CAS:34883-43-7 {source="KEGG COMPOUND"} xref: KEGG:C14246 is_a: CHEBI:36718 ! dichlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNIBRDIUNVOMX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1ccccc1Cl" xsd:string [Term] id: CHEBI:34233 name: 2,4,4',6-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a p-chlorophenyl group." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,4,4',6-tetrachloro-" RELATED [ChemIDplus] synonym: "2,4,4',6-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,4',6-Tetrachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "2,4,6,4'-tetrachlorobiphenyl" RELATED [ChEBI] synonym: "PCB 75" RELATED [KEGG_COMPOUND] xref: CAS:32598-12-2 {source="ChemIDplus"} xref: CAS:32598-12-2 {source="KEGG COMPOUND"} xref: KEGG:C14364 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZFZBHKDGHISSH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34237 name: 2,4-diaminotoluene namespace: chebi_ontology def: "An aminotoluene that is para-toluidine with an additional amino group at position 2." [] subset: 3_STAR synonym: "4-methylbenzene-1,3-diamine" EXACT IUPAC_NAME [IUPAC] xref: CAS:95-80-7 {source="KEGG COMPOUND"} xref: CAS:95-80-7 {source="ChemIDplus"} xref: KEGG:C14401 xref: Reaxys:2205839 {source="Reaxys"} is_a: CHEBI:22531 ! aminotoluene relationship: has_functional_parent CHEBI:37825 ! p-toluidine relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H10N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VOZKAJLKRJDJLL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.08440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(N)cc1N" xsd:string [Term] id: CHEBI:34241 name: 2,4-xylenol namespace: chebi_ontology def: "A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4." [] subset: 3_STAR synonym: "1,3-dimethyl-4-hydroxybenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1-hydroxy-2,4-dimethylbenzene" RELATED [ChemIDplus] synonym: "2,4-dimethylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-DMP" RELATED [PPDB] synonym: "2-methyl-p-cresol" RELATED [ChEBI] synonym: "4,6-dimethylphenol" RELATED [ChemIDplus] synonym: "4-hydroxy-1,3-dimethylbenzene" RELATED [ChemIDplus] synonym: "4-hydroxy-m-xylene" RELATED [ChEBI] synonym: "asym-m-xylenol" RELATED [ChEBI] synonym: "gallex" RELATED [ChemIDplus] synonym: "m-xylenol" RELATED [ChemIDplus] xref: AGR:IND607288222 {source="Europe PMC"} xref: CAS:105-67-9 {source="NIST Chemistry WebBook"} xref: CAS:105-67-9 {source="ChemIDplus"} xref: Chemspider:13839123 xref: HMDB:HMDB0245456 xref: KEGG:C14582 xref: KNApSAcK:C00052596 xref: MetaCyc:CPD-18280 xref: PDBeChem:N0D xref: PMID:18602751 {source="Europe PMC"} xref: PMID:18949436 {source="Europe PMC"} xref: PMID:18962311 {source="Europe PMC"} xref: PMID:19430139 {source="Europe PMC"} xref: PMID:20441950 {source="Europe PMC"} xref: PMID:21056717 {source="Europe PMC"} xref: PMID:21290525 {source="Europe PMC"} xref: PMID:22113936 {source="Europe PMC"} xref: PMID:23736872 {source="Europe PMC"} xref: PMID:24892532 {source="Europe PMC"} xref: PMID:25641836 {source="Europe PMC"} xref: PMID:26567311 {source="Europe PMC"} xref: PMID:26961915 {source="Europe PMC"} xref: PMID:29276958 {source="Europe PMC"} xref: PMID:30483493 {source="Europe PMC"} xref: PMID:30922799 {source="Europe PMC"} xref: PMID:31445024 {source="Europe PMC"} xref: PMID:32772833 {source="Europe PMC"} xref: PMID:32841770 {source="Europe PMC"} xref: PMID:33120340 {source="Europe PMC"} xref: PMID:33268651 {source="Europe PMC"} xref: PMID:34214809 {source="Europe PMC"} xref: PMID:4387388 {source="Europe PMC"} xref: PMID:6778378 {source="Europe PMC"} xref: PMID:7067652 {source="Europe PMC"} xref: PMID:8281889 {source="Europe PMC"} xref: PPDB:1619 xref: Reaxys:636244 {source="Reaxys"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:87034 ! aromatic fungicide relationship: has_parent_hydride CHEBI:28488 ! m-xylene relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:48219 ! disinfectant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KUFFULVDNCHOFZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.167" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(C)=C(O)C=C1" xsd:string [Term] id: CHEBI:34246 name: 2,5-dichlorobiphenyl namespace: chebi_ontology def: "A dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 2,5-dichloro-" RELATED [NIST_Chemistry_WebBook] synonym: "2,5-dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-Dichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 9" RELATED [KEGG_COMPOUND] xref: CAS:34883-39-1 {source="NIST Chemistry WebBook"} xref: CAS:34883-39-1 {source="ChemIDplus"} xref: CAS:34883-39-1 {source="KEGG COMPOUND"} xref: KEGG:C14354 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36718 ! dichlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KKQWHYGECTYFIA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(Cl)c(c1)-c1ccccc1" xsd:string [Term] id: CHEBI:34247 name: 2,6-di-tert-butyl-4-methylphenol namespace: chebi_ontology def: "A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6." [] comment: LanguaL term definition: Food additive; technological purpose(s): antioxidant. subset: 3_STAR synonym: "1-hydroxy-4-methyl-2,6-di-tert-butylbenzene" RELATED [ChemIDplus] synonym: "2,6-bis(1,1-dimethylethyl)-4-methylphenol" RELATED [KEGG_COMPOUND] synonym: "2,6-di-t-butyl-4-methylphenol" RELATED [KEGG_COMPOUND] synonym: "2,6-di-t-butyl-p-cresol" RELATED [ChemIDplus] synonym: "2,6-di-tert-butyl-1-hydroxy-4-methylbenzene" RELATED [ChemIDplus] synonym: "2,6-di-tert-butyl-4-cresol" RELATED [ChemIDplus] synonym: "2,6-di-tert-butyl-4-hydroxytoluene" RELATED [ChemIDplus] synonym: "2,6-di-tert-butyl-4-methylhydroxybenzene" RELATED [ChemIDplus] synonym: "2,6-di-tert-butyl-4-methylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-di-tert-butyl-p-cresol" RELATED [KEGG_COMPOUND] synonym: "BHT" RELATED [KEGG_COMPOUND] synonym: "butylated hydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "butylhydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "FEMA 2184" RELATED [HMDB] synonym: "o-di-tert-butyl-p-methylphenol" RELATED [ChemIDplus] xref: Beilstein:1911640 {source="Beilstein"} xref: CAS:128-37-0 {source="NIST Chemistry WebBook"} xref: CAS:128-37-0 {source="ChemIDplus"} xref: Chemspider:13835296 xref: Codex:\:321 xref: Europe:\:321 xref: FooDB:FDB011992 xref: HMDB:HMDB0033826 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3023 xref: KEGG:C14693 xref: KEGG:D02413 xref: LINCS:LSM-19020 xref: PMID:11837686 {source="Europe PMC"} xref: PMID:24612426 {source="Europe PMC"} xref: PMID:24617543 {source="Europe PMC"} xref: PMID:29864697 {source="Europe PMC"} xref: PMID:31029976 {source="Europe PMC"} xref: PMID:31780362 {source="Europe PMC"} xref: PMID:32304926 {source="Europe PMC"} xref: PMID:32322261 {source="Europe PMC"} xref: PMID:32387881 {source="Europe PMC"} xref: PMID:32397407 {source="Europe PMC"} xref: PMID:32963880 {source="Europe PMC"} xref: PMID:33039371 {source="Europe PMC"} xref: PMID:33091556 {source="Europe PMC"} xref: PMID:33519739 {source="Europe PMC"} xref: PMID:33792845 {source="Europe PMC"} xref: PMID:34013795 {source="Europe PMC"} xref: PMID:34041400 {source="Europe PMC"} xref: PMID:34443068 {source="Europe PMC"} xref: PMID:448040 {source="Europe PMC"} xref: Reaxys:1911640 {source="Reaxys"} xref: Wikipedia:Butylated_hydroxytoluene is_a: CHEBI:33853 ! phenols is_a: FOODON:03412972 ! food additive relationship: has_functional_parent CHEBI:15882 ! phenol relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:64047 ! food additive property_value: hasSynonym "butylated hydroxytoluene" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLZUEZXRPGMBCV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.35046" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "220.18272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C" xsd:string property_value: IAO:0000118 "butylated hydroxytoluene (bht)" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:34249 name: 2,6-dichlorobiphenyl namespace: chebi_ontology def: "A dichlorobiphenyl that is 1,3-dichlorobenzene in which the hydrogen at position 2 is replaced by a phenyl group." [] subset: 3_STAR synonym: "2,6-dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-Dichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 10" RELATED [KEGG_COMPOUND] xref: CAS:33146-45-1 {source="KEGG COMPOUND"} xref: CAS:33146-45-1 {source="NIST Chemistry WebBook"} xref: CAS:33146-45-1 {source="ChemIDplus"} xref: KEGG:C14355 xref: PDBeChem:DC5 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36718 ! dichlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IYZWUWBAFUBNCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(Cl)c1-c1ccccc1" xsd:string [Term] id: CHEBI:34251 name: 2,6-dimethylnaphthalene namespace: chebi_ontology def: "A dimethylnaphthalene carrying methyl groups at positions 2 and 6." [] subset: 3_STAR synonym: "2,6-Dimethylnaphthalene" EXACT [KEGG_COMPOUND] synonym: "2,6-dimethylnaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-DMN" RELATED [Patent] xref: Beilstein:1903544 {source="Beilstein"} xref: CAS:581-42-0 {source="KEGG COMPOUND"} xref: CAS:581-42-0 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0059764 xref: KEGG:C14330 xref: Patent:EP1852409 xref: PMID:20526527 {source="Europe PMC"} xref: PMID:22324881 {source="Europe PMC"} xref: Reaxys:1903544 {source="Reaxys"} xref: Wikipedia:2\,6-Dimethylnaphthalene is_a: CHEBI:48853 ! dimethylnaphthalene relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGYNBBAUIYTWBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.22368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc2cc(C)ccc2c1" xsd:string [Term] id: CHEBI:34258 name: 2-Aminoanthraquinone namespace: chebi_ontology subset: 2_STAR synonym: "2-Aminoanthraquinone" EXACT [KEGG_COMPOUND] xref: CAS:117-79-3 {source="KEGG COMPOUND"} xref: KEGG:C14444 is_a: CHEBI:22580 ! anthraquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOGPDSATLSAZEK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.227" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc2C(=O)c3ccccc3C(=O)c2c1" xsd:string [Term] id: CHEBI:34283 name: oxybenzone namespace: chebi_ontology alt_id: CHEBI:569732 def: "A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively." [] subset: 3_STAR synonym: "(2-hydroxy-4-methoxyphenyl)(phenyl)methanone" EXACT IUPAC_NAME [IUPAC] synonym: "2-Benzoyl-5-methoxyphenol" RELATED [DrugBank] synonym: "2-Hydroxy-4-methoxybenzophenone" RELATED [KEGG_COMPOUND] synonym: "4-Methoxy-2-hydroxybenzophenone" RELATED [DrugBank] synonym: "Benzophenone-3" RELATED [ChemIDplus] synonym: "oxibenzona" RELATED INN [ChemIDplus] synonym: "oxybenzone" RELATED INN [ChemIDplus] synonym: "oxybenzonum" RELATED INN [ChemIDplus] xref: Beilstein:1913145 {source="Beilstein"} xref: CAS:131-57-7 {source="ChemIDplus"} xref: CAS:131-57-7 {source="NIST Chemistry WebBook"} xref: CAS:131-57-7 {source="KEGG COMPOUND"} xref: Drug_Central:3412 {source="DrugCentral"} xref: DrugBank:DB01428 xref: HMDB:HMDB0015497 xref: KEGG:C14285 xref: KEGG:D05309 xref: LINCS:LSM-3309 xref: Patent:US2773903 xref: Patent:US2861104 xref: Patent:US2861105 xref: Patent:US3073866 xref: PMID:11169173 {source="Europe PMC"} xref: PMID:22721600 {source="Europe PMC"} xref: PMID:26118430 {source="Europe PMC"} xref: PMID:26167727 {source="Europe PMC"} xref: PMID:26295590 {source="Europe PMC"} xref: PMID:26487337 {source="Europe PMC"} xref: PMID:26589946 {source="Europe PMC"} xref: PMID:26686077 {source="Europe PMC"} xref: PMID:26736174 {source="Europe PMC"} xref: PMID:27085067 {source="Europe PMC"} xref: PMID:27544106 {source="Europe PMC"} xref: PMID:27796700 {source="Europe PMC"} xref: PMID:28192168 {source="Europe PMC"} xref: Reaxys:1913145 {source="Reaxys"} xref: Wikipedia:Oxybenzone is_a: CHEBI:24677 ! hydroxybenzophenone is_a: CHEBI:25235 ! monomethoxybenzene relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50177 ! dermatologic drug relationship: has_role CHEBI:50267 ! protective agent relationship: has_role CHEBI:73335 ! ultraviolet filter relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DXGLGDHPHMLXJC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.24330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.07864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(C(=O)c2ccccc2)c(O)c1" xsd:string [Term] id: CHEBI:34292 name: 1,3-benzothiazole-2-thiol namespace: chebi_ontology alt_id: CHEBI:282886 def: "1,3-Benzothiazole substituted at the 2-position with a sulfanyl group." [] subset: 3_STAR synonym: "1,3-Benzothiazol-2-yl hydrosulfide" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-benzothiazole-2-thiol" EXACT IUPAC_NAME [IUPAC] synonym: "2-Benzothiazolethiol" RELATED [ChemIDplus] synonym: "2-MBT" RELATED [ChemIDplus] synonym: "2-Mercaptobenzothiazole" RELATED [KEGG_COMPOUND] synonym: "2-sulfanyl-1,3-benzothiazole" RELATED [ChEBI] synonym: "Benzothiazole-2-thiol" RELATED [ChEMBL] synonym: "Benzothiazolethiol" RELATED [UM-BBD] synonym: "benzothiazolyl mercaptan" RELATED [ChEBI] synonym: "Captax" RELATED [KEGG_COMPOUND] synonym: "MBT" RELATED [UM-BBD] synonym: "Mercaptobenzothiazole" RELATED [ChemIDplus] xref: Beilstein:508810 {source="Beilstein"} xref: CAS:149-30-4 {source="NIST Chemistry WebBook"} xref: CAS:149-30-4 {source="KEGG COMPOUND"} xref: KEGG:C14437 xref: LINCS:LSM-18993 xref: PMID:18568896 {source="Europe PMC"} xref: PMID:18844695 {source="Europe PMC"} xref: PMID:19158128 {source="Europe PMC"} xref: PMID:21616561 {source="Europe PMC"} xref: PMID:23063874 {source="Europe PMC"} xref: PMID:23178179 {source="Europe PMC"} xref: PMID:23340394 {source="Europe PMC"} xref: UM-BBD_compID:c1019 {source="UM-BBD"} is_a: CHEBI:37947 ! benzothiazoles is_a: CHEBI:82711 ! aryl thiol relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXIWHUQXZSMYRE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.25100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.98634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Sc1nc2ccccc2s1" xsd:string [Term] id: CHEBI:34303 name: 2-sec-butylphenol namespace: chebi_ontology def: "A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2." [] subset: 3_STAR synonym: "2-(1-Methylpropyl)phenol" RELATED [KEGG_COMPOUND] synonym: "2-(2-Butyl)phenol" RELATED [ChemIDplus] synonym: "2-(butan-2-yl)phenol" RELATED [ChEBI] synonym: "2-sec-Butylphenol" EXACT [KEGG_COMPOUND] synonym: "o-sec-Butylphenol" RELATED [ChemIDplus] xref: CAS:89-72-5 {source="NIST Chemistry WebBook"} xref: CAS:89-72-5 {source="ChemIDplus"} xref: CAS:89-72-5 {source="KEGG COMPOUND"} xref: KEGG:C14138 xref: PMID:19705287 {source="Europe PMC"} xref: PMID:22858690 {source="Europe PMC"} xref: PMID:24197220 {source="Europe PMC"} xref: Reaxys:1210026 {source="Reaxys"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGFPWHGISWUQOI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.21756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)c1ccccc1O" xsd:string [Term] id: CHEBI:34304 name: fenobucarb namespace: chebi_ontology def: "A carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid." [] subset: 3_STAR synonym: "2-(1-methylpropyl)phenyl methylcarbamate" RELATED [IUPAC] synonym: "2-(butan-2-yl)phenyl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "2-sec-Butylphenyl methylcarbamate" RELATED [ChemIDplus] synonym: "2-sec-Butylphenyl N-methylcarbamate" RELATED [KEGG_COMPOUND] synonym: "BPMC" RELATED [KEGG_COMPOUND] synonym: "Fenobucarb" EXACT [KEGG_COMPOUND] synonym: "Methylcarbamic acid o-sec-butylphenyl ester" RELATED [ChemIDplus] xref: Beilstein:2052332 {source="Beilstein"} xref: CAS:3766-81-2 {source="KEGG COMPOUND"} xref: CAS:3766-81-2 {source="NIST Chemistry WebBook"} xref: CAS:3766-81-2 {source="ChemIDplus"} xref: KEGG:C14425 xref: PMID:19089593 {source="Europe PMC"} xref: PMID:24553419 {source="Europe PMC"} xref: PMID:6510612 {source="Europe PMC"} xref: PPDB:1183 xref: Reaxys:2052332 {source="Reaxys"} xref: Wikipedia:Fenobucarb is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:34303 ! 2-sec-butylphenol relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIRFUJHNVNOBMY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "207.26892" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.12593" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)c1ccccc1OC(=O)NC" xsd:string [Term] id: CHEBI:34317 name: 3,3',4,4',5-pentachlorobiphenyl namespace: chebi_ontology def: "A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions." [] subset: 3_STAR synonym: "3,3',4,4',5-pentachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',4,4',5-Pentachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "3,4,3',4',5'-Pentachlorobiphenyl" RELATED [ChemIDplus] synonym: "3,4,5,3',4'-Penta coplanar polychlorinated biphenyl" RELATED [ChemIDplus] synonym: "3,4,5,3',4'-Pentachlorobiphenyl" RELATED [ChemIDplus] synonym: "PCB 126" RELATED [KEGG_COMPOUND] xref: CAS:57465-28-8 {source="KEGG COMPOUND"} xref: CAS:57465-28-8 {source="NIST Chemistry WebBook"} xref: CAS:57465-28-8 {source="ChemIDplus"} xref: KEGG:C14573 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REHONNLQRWTIFF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:34320 name: 3,3'-Dimethylbenzidine namespace: chebi_ontology subset: 2_STAR synonym: "3,3'-Dimethyl-4,4'-diaminobiphenyl" RELATED [KEGG_COMPOUND] synonym: "3,3'-Dimethylbenzidine" EXACT [KEGG_COMPOUND] synonym: "o-Tolidine" RELATED [KEGG_COMPOUND] xref: CAS:119-93-7 {source="KEGG COMPOUND"} xref: KEGG:C14443 is_a: CHEBI:22888 ! biphenyls property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUIURNJTPRWVAP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.291" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.13135" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(ccc1N)-c1ccc(N)c(C)c1" xsd:string [Term] id: CHEBI:34326 name: 3,5-dichlorobiphenyl namespace: chebi_ontology def: "A dichlorobiphenyl that is 1,3-dichlorobenzene in which the hydrogen at position 5 has been replaced by a phenyl group." [] subset: 3_STAR synonym: "3,5-dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-Dichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 14" RELATED [KEGG_COMPOUND] xref: CAS:34883-41-5 {source="NIST Chemistry WebBook"} xref: CAS:34883-41-5 {source="ChemIDplus"} xref: CAS:34883-41-5 {source="KEGG COMPOUND"} xref: KEGG:C14356 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36718 ! dichlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QHZSDTDMQZPUKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)cc(c1)-c1ccccc1" xsd:string [Term] id: CHEBI:34342 name: 3-methylcholanthrene namespace: chebi_ontology def: "A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position." [] subset: 3_STAR synonym: "1,2-Dihydro-3-methylbenz(j)aceanthrylene" RELATED [ChemIDplus] synonym: "20-MC" RELATED [ChemIDplus] synonym: "20-Methylcholanthrene" RELATED [NIST_Chemistry_WebBook] synonym: "20-Methylcholanthrene" RELATED [ChemIDplus] synonym: "3-MC" RELATED [ChemIDplus] synonym: "3-MCA" RELATED [ChemIDplus] synonym: "3-methyl-1,2-dihydrobenzo[j]aceanthrylene" RELATED [IUPAC] synonym: "3-methyl-1,2-dihydrocyclopenta[ij]tetraphene" EXACT IUPAC_NAME [IUPAC] synonym: "3-Methylcholanthrene" EXACT [KEGG_COMPOUND] synonym: "MC" RELATED [ChemIDplus] synonym: "MCA" RELATED [ChemIDplus] synonym: "Methylcholanthrene" RELATED [ChemIDplus] xref: Beilstein:1913890 {source="Beilstein"} xref: CAS:56-49-5 {source="KEGG COMPOUND"} xref: CAS:56-49-5 {source="ChemIDplus"} xref: CAS:56-49-5 {source="NIST Chemistry WebBook"} xref: KEGG:C14470 xref: LINCS:LSM-5711 xref: PMID:11922910 {source="Europe PMC"} xref: PMID:16359657 {source="Europe PMC"} xref: PMID:24658119 {source="Europe PMC"} xref: PMID:26076008 {source="Europe PMC"} xref: PMID:7561049 {source="Europe PMC"} xref: Reaxys:1913890 {source="Reaxys"} xref: Wikipedia:Methylcholanthrene is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene relationship: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PPQNQXQZIWHJRB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.35174" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc2cc3c(ccc4ccccc34)c3CCc1c23" xsd:string [Term] id: CHEBI:3435 name: carrageenan namespace: chebi_ontology def: "A family of sulfated polysaccharides extracted from red seaweeds. The name is derived from a common name of red algae Chondrus crispus, \"carrageen moss\" (Irish moss)." [] comment: LanguaL term definition: Food additive; technological purpose(s): bulking agent, carrier, coating agent, emulsifier, gelling agent, glazing agent, humectant, stabilizer, thickener. subset: 3_STAR synonym: "Carrageenan" EXACT [] synonym: "carrageenan" EXACT [] synonym: "carrageenans" RELATED [] synonym: "carrageenin" RELATED [] synonym: "carragheanin" RELATED [] synonym: "carragheenan" RELATED [] synonym: "carraghenan" RELATED [] synonym: "carraghenans" RELATED [] xref: CAS:9000-07-1 xref: Codex:\:407 xref: Europe:\:407 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3062 xref: KEGG:C08818 xref: KEGG:D03411 is_a: CDNO:0000031 ! gum is_a: CHEBI:37944 ! polysaccharide sulfate is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "carrageenan" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:34364 name: 4,4'-dichlorobiphenyl namespace: chebi_ontology def: "A dichlorobiphenyl carrying chloro groups at positions 4 and 4' respectively." [] subset: 3_STAR synonym: "4,4'-dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Dichlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "p,p'-Dichlorobiphenyl" RELATED [ChemIDplus] synonym: "p,p-DCBP" RELATED [NIST_Chemistry_WebBook] synonym: "p,p-Dcbp" RELATED [ChEBI] synonym: "PCB 15" RELATED [KEGG_COMPOUND] xref: CAS:2050-68-2 {source="ChemIDplus"} xref: CAS:2050-68-2 {source="NIST Chemistry WebBook"} xref: CAS:2050-68-2 {source="KEGG COMPOUND"} xref: KEGG:C14248 xref: PMID:22755535 {source="Europe PMC"} xref: PMID:24369744 {source="Europe PMC"} xref: Reaxys:2044700 {source="Reaxys"} is_a: CHEBI:36718 ! dichlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YTBRNEUEFCNVHC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:34399 name: 4-Chloronitrobenzene namespace: chebi_ontology subset: 2_STAR synonym: "1-Chloro-4-nitrobenzene" RELATED [KEGG_COMPOUND] synonym: "4-Chloronitrobenzene" EXACT [KEGG_COMPOUND] xref: CAS:100-00-5 {source="KEGG COMPOUND"} xref: KEGG:C14456 is_a: CHEBI:35716 ! C-nitro compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZGCEKJOLUNIFY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "157.555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.99306" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:34432 name: 4-octylphenol namespace: chebi_ontology def: "A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group." [] subset: 3_STAR synonym: "1-(p-hydroxyphenyl)octane" RELATED [ChemIDplus] synonym: "4-n-octylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "4-octylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "p-octylphenol" RELATED [KEGG_COMPOUND] xref: CAS:1806-26-4 {source="ChemIDplus"} xref: CAS:1806-26-4 {source="NIST Chemistry WebBook"} xref: CAS:1806-26-4 {source="KEGG COMPOUND"} xref: KEGG:C14132 xref: PMID:20980040 {source="Europe PMC"} xref: PMID:22435736 {source="Europe PMC"} xref: PMID:23435201 {source="Europe PMC"} xref: PMID:23520882 {source="Europe PMC"} xref: PMID:23562958 {source="Europe PMC"} xref: PMID:23714150 {source="Europe PMC"} xref: PMID:23818073 {source="Europe PMC"} xref: PMID:23877625 {source="Europe PMC"} xref: PMID:24209326 {source="Europe PMC"} xref: Reaxys:2046736 {source="Reaxys"} is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35195 ! surfactant relationship: has_role CHEBI:76988 ! xenoestrogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTDQQZYCCIDJRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.32390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.16707" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCc1ccc(O)cc1" xsd:string [Term] id: CHEBI:34440 name: 4-nonylphenol namespace: chebi_ontology def: "A member of the class of phenols that is phenol which is para-substituted with a nonyl group." [] subset: 3_STAR synonym: "4-n-Nonylphenol" RELATED [KEGG_COMPOUND] synonym: "4-Nonylphenol" EXACT [KEGG_COMPOUND] synonym: "4-nonylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "p-n-Nonylphenol" RELATED [ChemIDplus] synonym: "p-Nonylphenol" RELATED [KEGG_COMPOUND] synonym: "para Nonyl phenol" RELATED [NIST_Chemistry_WebBook] xref: CAS:104-40-5 {source="ChemIDplus"} xref: CAS:104-40-5 {source="NIST Chemistry WebBook"} xref: CAS:104-40-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0038982 xref: KEGG:C14550 xref: LINCS:LSM-19987 xref: PMID:18506497 {source="Europe PMC"} xref: PMID:21823570 {source="Europe PMC"} xref: PMID:22133150 {source="Europe PMC"} xref: PMID:24805085 {source="Europe PMC"} xref: PPDB:1543 xref: Reaxys:2047450 {source="Reaxys"} is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGFHQQFPSIBGKE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.35046" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "220.18272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCc1ccc(O)cc1" xsd:string [Term] id: CHEBI:34520 name: acephate namespace: chebi_ontology def: "A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group." [] subset: 3_STAR synonym: "Acephate" EXACT [KEGG_COMPOUND] synonym: "Acetamidophos" RELATED [ChemIDplus] synonym: "Acetylphosphoramidothioic acid O,S-dimethyl ester" RELATED [ChemIDplus] synonym: "N-(Methoxy(methylthio)phosphinoyl)acetamide" RELATED [ChemIDplus] synonym: "O,S-dimethyl acetylamidothiophosphate" RELATED [IUPAC] synonym: "O,S-dimethyl acetylphosphoroamidothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,S-Dimethylacetylphosphoroamidothioate" RELATED [KEGG_COMPOUND] xref: Beilstein:1936365 {source="Beilstein"} xref: CAS:30560-19-1 {source="ChemIDplus"} xref: CAS:30560-19-1 {source="NIST Chemistry WebBook"} xref: CAS:30560-19-1 {source="KEGG COMPOUND"} xref: KEGG:C14426 xref: Patent:CN102989760 xref: Patent:CN102993230 xref: PMID:16526463 {source="Europe PMC"} xref: PMID:24001830 {source="Europe PMC"} xref: PMID:24138465 {source="Europe PMC"} xref: PPDB:9 xref: Reaxys:1936365 {source="Reaxys"} xref: Wikipedia:Acephate is_a: CHEBI:17102 ! phosphoramide is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:37716 ! mixed diacylamine relationship: has_functional_parent CHEBI:38721 ! methamidophos relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10NO3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YASYVMFAVPKPKE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.16690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.01190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(NC(C)=O)SC" xsd:string [Term] id: CHEBI:34556 name: bendiocarb namespace: chebi_ontology subset: 3_STAR synonym: "2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate" RELATED [KEGG_COMPOUND] synonym: "2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole" RELATED [ChEBI] synonym: "2,3-Isopropylidenedioxyphenyl methylcarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "Bendiocarb" EXACT [KEGG_COMPOUND] xref: Beilstein:1315404 {source="Beilstein"} xref: CAS:22781-23-3 {source="KEGG COMPOUND"} xref: CAS:22781-23-3 {source="ChemIDplus"} xref: KEGG:C14433 xref: PPDB:61 xref: VSDB:61 is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:38298 ! benzodioxoles relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H13NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEGGRYVFLWGFHI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.22526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.08446" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1cccc2OC(C)(C)Oc12" xsd:string [Term] id: CHEBI:34572 name: allethrin namespace: chebi_ontology subset: 3_STAR synonym: "2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester" RELATED [ChemIDplus] synonym: "2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "3-allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate" RELATED [ChemIDplus] synonym: "3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" RELATED [IUPAC] synonym: "3-allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate" RELATED [NIST_Chemistry_WebBook] synonym: "Allethrin" EXACT [KEGG_COMPOUND] synonym: "Bioallethrin" RELATED [KEGG_COMPOUND] synonym: "Pynamin" RELATED [KEGG_COMPOUND] xref: Beilstein:2294836 {source="Beilstein"} xref: CAS:584-79-2 {source="ChemIDplus"} xref: CAS:584-79-2 {source="NIST Chemistry WebBook"} xref: CAS:584-79-2 {source="KEGG COMPOUND"} xref: KEGG:C14337 xref: KEGG:D07530 xref: PPDB:22 xref: VSDB:22 is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:3680 ! chrysanthemic acid relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H26O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCVAOQKBXKSDMS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.40794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.18819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C" xsd:string [Term] id: CHEBI:34573 name: Bis(2-chloroethyl)ether namespace: chebi_ontology subset: 2_STAR synonym: "1,5-Dichloro-3-oxapentane" RELATED [KEGG_COMPOUND] synonym: "2,2'-Dichlorethyl ether" RELATED [KEGG_COMPOUND] synonym: "Bis(2-chloroethyl)ether" EXACT [KEGG_COMPOUND] xref: CAS:111-44-4 {source="KEGG COMPOUND"} xref: KEGG:C14688 xref: PPDB:2714 is_a: CHEBI:25698 ! ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8Cl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNSMNVMLTJELDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.99522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCOCCCl" xsd:string [Term] id: CHEBI:34591 name: bromodichloromethane namespace: chebi_ontology def: "A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water." [] subset: 3_STAR synonym: "bromo(dichloro)methane" EXACT IUPAC_NAME [IUPAC] synonym: "Bromodichloromethane" EXACT [KEGG_COMPOUND] synonym: "CHBrCl2" RELATED [IUPAC] synonym: "dichlorobromomethane" RELATED [NIST_Chemistry_WebBook] synonym: "dichloromonobromomethane" RELATED [NIST_Chemistry_WebBook] synonym: "monobromodichloromethane" RELATED [ChemIDplus] xref: Beilstein:1697005 {source="ChemIDplus"} xref: CAS:75-27-4 {source="ChemIDplus"} xref: CAS:75-27-4 {source="NIST Chemistry WebBook"} xref: CAS:75-27-4 {source="KEGG COMPOUND"} xref: Gmelin:25941 {source="Gmelin"} xref: KEGG:C14708 xref: PMID:23446885 {source="Europe PMC"} xref: PMID:24001804 {source="Europe PMC"} xref: PMID:24647036 {source="Europe PMC"} xref: Reaxys:1697005 {source="Reaxys"} xref: Wikipedia:Bromodichloromethane is_a: CHEBI:39279 ! halomethane relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHBrCl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHBrCl2/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FMWLUWPQPKEARP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.82804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "161.86387" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(Cl)(Cl)Br" xsd:string [Term] id: CHEBI:34608 name: captan namespace: chebi_ontology def: "A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops." [] subset: 3_STAR synonym: "1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide" RELATED [ChemIDplus] synonym: "2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione" RELATED [ChemIDplus] synonym: "3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide" RELATED [ChemIDplus] synonym: "Amercide" RELATED BRAND_NAME [ChemIDplus] synonym: "Bangton" RELATED BRAND_NAME [ChemIDplus] synonym: "Captab" RELATED BRAND_NAME [ChemIDplus] synonym: "Captadin" RELATED BRAND_NAME [ChemIDplus] synonym: "Captaf" RELATED BRAND_NAME [ChemIDplus] synonym: "captane" RELATED [ChemIDplus] synonym: "Captanex" RELATED BRAND_NAME [ChemIDplus] synonym: "Captex" RELATED BRAND_NAME [ChemIDplus] synonym: "ENT 26,538" RELATED [ChemIDplus] synonym: "Hexacap" RELATED BRAND_NAME [ChemIDplus] synonym: "Kaptan" RELATED BRAND_NAME [ChemIDplus] synonym: "Malipur" RELATED BRAND_NAME [ChemIDplus] synonym: "Merpan" RELATED BRAND_NAME [ChemIDplus] synonym: "N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide" RELATED [ChemIDplus] synonym: "N-[(trichloromethyl)thio]tetrahydrophthalimide" RELATED [ChemIDplus] synonym: "N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide" RELATED [ChemIDplus] synonym: "N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide" RELATED [ChemIDplus] synonym: "N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide" RELATED [ChemIDplus] synonym: "Neracid" RELATED BRAND_NAME [ChemIDplus] synonym: "Orthocide" RELATED BRAND_NAME [ChemIDplus] synonym: "Osocide" RELATED BRAND_NAME [ChemIDplus] synonym: "SR 406" RELATED [ChemIDplus] synonym: "SR406" RELATED [ChemIDplus] synonym: "Vanicide" RELATED BRAND_NAME [ChemIDplus] synonym: "Venturin" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Vondcaptan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Zenecal" RELATED BRAND_NAME [NIST_Chemistry_WebBook] xref: CAS:133-06-2 {source="KEGG COMPOUND"} xref: CAS:133-06-2 {source="ChemIDplus"} xref: CAS:133-06-2 {source="NIST Chemistry WebBook"} xref: KEGG:C14438 xref: Patent:US2553771 xref: Patent:US2653155 xref: Patent:US2713058 xref: Pesticides:captan {source="Alan Wood's Pesticides"} xref: PMID:20433167 {source="Europe PMC"} xref: PMID:20569196 {source="Europe PMC"} xref: PMID:21121628 {source="Europe PMC"} xref: PMID:21381057 {source="Europe PMC"} xref: PMID:21381058 {source="Europe PMC"} xref: PMID:23692481 {source="Europe PMC"} xref: PMID:23742211 {source="Europe PMC"} xref: PMID:6578186 {source="Europe PMC"} xref: PMID:9530801 {source="Europe PMC"} xref: PPDB:114 xref: Wikipedia:Captan is_a: CHEBI:24897 ! isoindoles is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:87198 ! phthalimide fungicide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8Cl3NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LDVVMCZRFWMZSG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.58900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.93413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" xsd:string [Term] id: CHEBI:34611 name: carbofuran namespace: chebi_ontology subset: 3_STAR synonym: "2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate" RELATED [KEGG_COMPOUND] synonym: "2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate" RELATED [ChemIDplus] synonym: "Carbofuran" EXACT [KEGG_COMPOUND] synonym: "carbofuran" EXACT [UniProt] synonym: "Furadan" RELATED [ChemIDplus] xref: Beilstein:1428746 {source="Beilstein"} xref: Beilstein:8312603 {source="Beilstein"} xref: CAS:1563-66-2 {source="KEGG COMPOUND"} xref: CAS:1563-66-2 {source="NIST Chemistry WebBook"} xref: CAS:1563-66-2 {source="ChemIDplus"} xref: KEGG:C14291 xref: LINCS:LSM-3186 xref: PPDB:118 is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:38830 ! 1-benzofurans relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H15NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUEPRVBVGDRKAG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.25244" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.10519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1cccc2CC(C)(C)Oc12" xsd:string [Term] id: CHEBI:34620 name: quinomethionate namespace: chebi_ontology def: "A dithioloquinoxaline that results from the formal condensation of 6-methylquinoxaline-2,3-dithiol with phosgene. It has been used as a fungicide and acaricide for the control of mites and powdery mildew on citrus, vegetables, and walnuts, but is not approved for use in the EU." [] subset: 3_STAR synonym: "6-methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate" RELATED [NIST_Chemistry_WebBook] synonym: "6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate" RELATED [KEGG_COMPOUND] synonym: "6-methyl[1,3]dithiolo[4,5-b]quinoxalin-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Chinomethionat" RELATED [KEGG_COMPOUND] synonym: "chinomethionate" RELATED [NIST_Chemistry_WebBook] synonym: "Morestan" RELATED BRAND_NAME [ChEBI] synonym: "oxythioquinox" RELATED [ChemIDplus] synonym: "Quinomethionate" EXACT [KEGG_COMPOUND] synonym: "S,S-(6-methylquinoxaline-2,3-diyl) dithiocarbonate" RELATED [ChemIDplus] xref: AGR:IND84001481 {source="Europe PMC"} xref: AGR:IND84001482 {source="Europe PMC"} xref: Beilstein:526833 {source="Beilstein"} xref: CAS:2439-01-2 {source="NIST Chemistry WebBook"} xref: CAS:2439-01-2 {source="ChemIDplus"} xref: CAS:2439-01-2 {source="KEGG COMPOUND"} xref: KEGG:C14514 xref: Pesticides:chinomethionat {source="Alan Wood's Pesticides"} xref: PMID:1009998 {source="Europe PMC"} xref: PMID:14505671 {source="Europe PMC"} xref: PMID:6658821 {source="Europe PMC"} xref: PPDB:127 xref: Reaxys:526833 {source="Reaxys"} is_a: CHEBI:38819 ! quinoxaline antifungal agent is_a: CHEBI:38820 ! quinoxaline acaricide is_a: CHEBI:38919 ! dithioloquinoxaline relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N2OS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBQQHUGEACOBDN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.29952" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.99216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc2nc3sc(=O)sc3nc2c1" xsd:string [Term] id: CHEBI:34623 name: chlordane namespace: chebi_ontology subset: 3_STAR synonym: "1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane" RELATED [KEGG_COMPOUND] synonym: "1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan" RELATED [ChemIDplus] synonym: "1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene" RELATED [ChemIDplus] synonym: "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene" RELATED [IUPAC] synonym: "Chlordane" EXACT [KEGG_COMPOUND] synonym: "Chlorindan" RELATED [ChemIDplus] xref: Beilstein:1915474 {source="Beilstein"} xref: CAS:57-74-9 {source="ChemIDplus"} xref: CAS:57-74-9 {source="KEGG COMPOUND"} xref: CAS:57-74-9 {source="NIST Chemistry WebBook"} xref: KEGG:C14176 xref: PPDB:134 is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide relationship: has_parent_hydride CHEBI:37910 ! indene relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6Cl8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BIWJNBZANLAXMG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.77624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.79777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:34624 name: Chloroacetyl chloride namespace: chebi_ontology subset: 2_STAR synonym: "Chloroacetyl chloride" EXACT [KEGG_COMPOUND] xref: CAS:79-04-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0060452 xref: KEGG:C14859 is_a: CHEBI:37579 ! acyl halide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VGCXGMAHQTYDJK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.943" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.94827" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC(Cl)=O" xsd:string [Term] id: CHEBI:34626 name: Chlorobenzilate namespace: chebi_ontology subset: 2_STAR synonym: "Chlorobenzilate" EXACT [KEGG_COMPOUND] synonym: "Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate" RELATED [KEGG_COMPOUND] synonym: "Ethyl-4,4'-dichlorobenzilate" RELATED [KEGG_COMPOUND] xref: CAS:510-15-6 {source="KEGG COMPOUND"} xref: KEGG:C14574 xref: PPDB:144 is_a: CHEBI:51614 ! diarylmethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAPBNVDSDCTNRC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "325.187" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.03200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:34631 name: chlorpyrifos namespace: chebi_ontology def: "An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group." [] subset: 3_STAR synonym: "Bolton" RELATED BRAND_NAME [ChEBI] synonym: "Brodan" RELATED BRAND_NAME [ChemIDplus] synonym: "Chlorpyrifos" EXACT [KEGG_COMPOUND] synonym: "chlorpyrifos" EXACT [UniProt] synonym: "chlorpyrifos ethyl" RELATED [ChemIDplus] synonym: "Chlorpyrifos-ethyl" RELATED [ChemIDplus] synonym: "Chlorpyriphos" RELATED [KEGG_COMPOUND] synonym: "Cobalt" RELATED BRAND_NAME [ChEBI] synonym: "Detmol" RELATED BRAND_NAME [ChemIDplus] synonym: "Dowco 179" RELATED BRAND_NAME [ChEBI] synonym: "Dursban" RELATED BRAND_NAME [ChemIDplus] synonym: "Empire" RELATED BRAND_NAME [ChEBI] synonym: "Equity" RELATED BRAND_NAME [ChEBI] synonym: "Eradex" RELATED BRAND_NAME [ChEBI] synonym: "Lentrek" RELATED BRAND_NAME [ChemIDplus] synonym: "Lock-On" RELATED BRAND_NAME [ChemIDplus] synonym: "Lorsban" RELATED BRAND_NAME [ChemIDplus] synonym: "m-Chlorpyrifos" RELATED [NIST_Chemistry_WebBook] synonym: "Nufos" RELATED BRAND_NAME [ChEBI] synonym: "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" RELATED [IUPAC] synonym: "o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester" RELATED [ChemIDplus] synonym: "Piridane" RELATED BRAND_NAME [ChemIDplus] synonym: "Stipend" RELATED BRAND_NAME [ChemIDplus] synonym: "Tricel" RELATED BRAND_NAME [ChEBI] synonym: "Trichlorpyrphos" RELATED [ChemIDplus] synonym: "Warhawk" RELATED BRAND_NAME [ChEBI] xref: Beilstein:1545756 {source="Beilstein"} xref: CAS:2921-88-2 {source="KEGG COMPOUND"} xref: CAS:2921-88-2 {source="ChemIDplus"} xref: CAS:2921-88-2 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0041856 xref: KEGG:C14322 xref: KEGG:D07688 xref: Pesticides:chlorpyrifos {source="Alan Wood's Pesticides"} xref: PMID:11882345 {source="Europe PMC"} xref: PMID:18166376 {source="Europe PMC"} xref: PMID:31152760 {source="Europe PMC"} xref: PPDB:154 xref: Reaxys:1545756 {source="Reaxys"} xref: Wikipedia:Chlorpyrifos is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:39173 ! chloropyridine relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11Cl3NO3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBPBAQFWLVIOKP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "350.58644" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "348.92628" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34632 name: chlorpyrifos-methyl namespace: chebi_ontology def: "An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group." [] subset: 3_STAR synonym: "Chloropyriphos-methyl" RELATED [KEGG_COMPOUND] synonym: "Chlorpyrifos O,O-dimethyl analog" RELATED [ChemIDplus] synonym: "Chlorpyrifos-methyl" EXACT [KEGG_COMPOUND] synonym: "Methyl chlorpyrifos" RELATED [ChemIDplus] synonym: "Methyl chlorpyriphos" RELATED [ChemIDplus] synonym: "O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate" RELATED [IUPAC] synonym: "o,o-Dimethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester" RELATED [ChemIDplus] synonym: "Trichlormethylfos" RELATED [ChemIDplus] xref: Beilstein:1541078 {source="Beilstein"} xref: CAS:5598-13-0 {source="ChemIDplus"} xref: CAS:5598-13-0 {source="NIST Chemistry WebBook"} xref: CAS:5598-13-0 {source="KEGG COMPOUND"} xref: KEGG:C14520 xref: Pesticides:chlorpyrifos-methyl {source="Alan Wood's Pesticides"} xref: PPDB:155 xref: Reaxys:1541078 {source="Reaxys"} is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:39173 ! chloropyridine relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7Cl3NO3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRBKVYFZANMGRE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "322.53328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.89498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:34656 name: cumene namespace: chebi_ontology def: "An alkylbenzene that is benzene carrying an isopropyl group." [] subset: 3_STAR synonym: "(1-Methylethyl)benzene" RELATED [ChemIDplus] synonym: "(propan-2-yl)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "2-Phenylpropane" RELATED [ChemIDplus] synonym: "Cumene" EXACT [KEGG_COMPOUND] synonym: "Isopropylbenzene" RELATED [KEGG_COMPOUND] xref: Beilstein:1236613 {source="Beilstein"} xref: CAS:98-82-8 {source="ChemIDplus"} xref: CAS:98-82-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034029 xref: KEGG:C14396 xref: MetaCyc:CPD0-2360 xref: Patent:KR20140001929 xref: PMID:19340095 {source="Europe PMC"} xref: PMID:24441387 {source="Europe PMC"} xref: Reaxys:1236613 {source="Reaxys"} xref: Wikipedia:Cumene is_a: CHEBI:38976 ! alkylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWGFKTVRMDUZSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.19158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1ccccc1" xsd:string [Term] id: CHEBI:34666 name: decachlorobiphenyl namespace: chebi_ontology def: "A polychlorobiphenyl that is biphenyl in which all of the hydrogens are replaced by chlorines." [] subset: 3_STAR synonym: "2,2',3,3',4,4',5,5',6,6'-decachloro-1,1'-biphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "2,2',3,3',4,4',5,5',6,6'-decachlorobiphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "decachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "Decachlorobiphenyl" EXACT [KEGG_COMPOUND] synonym: "PCB 209" RELATED [ChemIDplus] synonym: "PCB 209" RELATED [KEGG_COMPOUND] synonym: "perchlorobiphenyl" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2065289 {source="Beilstein"} xref: CAS:2051-24-3 {source="KEGG COMPOUND"} xref: CAS:2051-24-3 {source="NIST Chemistry WebBook"} xref: CAS:2051-24-3 {source="ChemIDplus"} xref: Gmelin:1481615 {source="Gmelin"} xref: KEGG:C14368 is_a: CHEBI:53156 ! polychlorobiphenyl is_a: CHEBI:83390 ! pentachlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12Cl10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONXPZLFXDMAPRO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "498.65540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "493.68853" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34682 name: diazinon namespace: chebi_ontology def: "A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4." [] subset: 3_STAR synonym: "Diazinon" EXACT [KEGG_COMPOUND] synonym: "Dimpylate" RELATED [NIST_Chemistry_WebBook] synonym: "O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphate" RELATED [ChemIDplus] synonym: "O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate" RELATED [ChemIDplus] synonym: "O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate" RELATED [IUPAC] synonym: "O,O-diethyl O-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester" RELATED [ChemIDplus] xref: Beilstein:273790 {source="Beilstein"} xref: CAS:333-41-5 {source="KEGG COMPOUND"} xref: CAS:333-41-5 {source="NIST Chemistry WebBook"} xref: CAS:333-41-5 {source="ChemIDplus"} xref: HMDB:HMDB0032943 xref: KEGG:C14324 xref: KEGG:D07856 xref: MetaCyc:CPD-8965 xref: Pesticides:diazinon {source="Alan Wood's Pesticides"} xref: PMID:14536034 {source="Europe PMC"} xref: PMID:18819606 {source="Europe PMC"} xref: PPDB:212 xref: Reaxys:273790 {source="Reaxys"} xref: VSDB:212 xref: Wikipedia:Diazinon is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:39447 ! pyrimidines relationship: has_functional_parent CHEBI:38629 ! 2-isopropyl-6-methylpyrimidin-4-ol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H21N2O3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FHIVAFMUCKRCQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.34658" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.10105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C" xsd:string [Term] id: CHEBI:34687 name: dibutyl phthalate namespace: chebi_ontology alt_id: CHEBI:535597 def: "A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans." [] subset: 3_STAR synonym: "1,2-Benzenedicarboxylic acid dibutyl ester" RELATED [ChemIDplus] synonym: "Benzene-o-dicarboxylic acid di-n-butyl ester" RELATED [ChemIDplus] synonym: "Benzene-o-dicarboxylic acid di-n-butyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Benzenedicarboxylic acid dibutyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Butyl phthalate" RELATED [ChemIDplus] synonym: "DBP" RELATED [ChEBI] synonym: "Di-n-butyl phthalate" RELATED [KEGG_COMPOUND] synonym: "Dibutyl 1,2-benzenedicarboxylate" RELATED [KEGG_COMPOUND] synonym: "dibutyl benzene-1,2-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Dibutyl o-phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "Dibutyl phthalate" EXACT [KEGG_COMPOUND] synonym: "Dibutyl-o-phthalate" RELATED [ChemIDplus] synonym: "n-Butyl phthalate" RELATED [ChemIDplus] synonym: "o-Benzenedicarboxylic acid dibutyl ester" RELATED [ChemIDplus] synonym: "o-Benzenedicarboxylic acid dibutyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Phthalic acid di-n-butyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Phthalic acid dibutyl ester" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1914064 {source="Beilstein"} xref: CAS:84-74-2 {source="KEGG COMPOUND"} xref: CAS:84-74-2 {source="NIST Chemistry WebBook"} xref: CAS:84-74-2 {source="ChemIDplus"} xref: Drug_Central:4414 {source="DrugCentral"} xref: Gmelin:262569 {source="Gmelin"} xref: HMDB:HMDB0033244 xref: KEGG:C14214 xref: PMID:11133400 {source="Europe PMC"} xref: PMID:16232742 {source="Europe PMC"} xref: PMID:19840837 {source="Europe PMC"} xref: PMID:24213843 {source="Europe PMC"} xref: PMID:24468924 {source="Europe PMC"} xref: PMID:24616073 {source="Europe PMC"} xref: PMID:26730679 {source="Europe PMC"} xref: PMID:27655612 {source="Europe PMC"} xref: PMID:28102498 {source="Europe PMC"} xref: PMID:28363850 {source="Europe PMC"} xref: PMID:28486587 {source="Europe PMC"} xref: PMID:28566680 {source="Europe PMC"} xref: PMID:28580302 {source="Europe PMC"} xref: PMID:28753974 {source="Europe PMC"} xref: PMID:28822891 {source="Europe PMC"} xref: PMID:28823096 {source="Europe PMC"} xref: PPDB:2924 xref: Reaxys:1914064 {source="Reaxys"} xref: Wikipedia:Dibutyl_phthalate is_a: CHEBI:35484 ! phthalate ester is_a: CHEBI:51307 ! diester relationship: has_functional_parent CHEBI:28885 ! butan-1-ol relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:67239 ! EC 3.2.1.20 (alpha-glucosidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:79056 ! plasticiser property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H22O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DOIRQSBPFJWKBE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.34350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.15181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOC(=O)c1ccccc1C(=O)OCCCC" xsd:string [Term] id: CHEBI:34690 name: dichlorvos namespace: chebi_ontology def: "An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate." [] subset: 3_STAR synonym: "2,2-Dichloroethenyl dimethyl phosphate" RELATED [KEGG_COMPOUND] synonym: "2,2-dichloroethenyl dimethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "DDVP" RELATED [ChemIDplus] synonym: "DDVP" RELATED [KEGG_COMPOUND] synonym: "Dichlorvos" EXACT [KEGG_COMPOUND] synonym: "Dimethyl 2,2-dichlorovinyl phosphate" RELATED [ChemIDplus] synonym: "Dimethyl-2,2-dichlorovinyl phosphate" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphoric acid, 2,2-dichloroethenyl dimethyl ester" RELATED [ChemIDplus] synonym: "Phosphoric acid, 2,2-dichlorovinyl dimethyl ester" RELATED [ChemIDplus] xref: Beilstein:1709141 {source="Beilstein"} xref: CAS:62-73-7 {source="ChemIDplus"} xref: CAS:62-73-7 {source="NIST Chemistry WebBook"} xref: CAS:62-73-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033956 xref: KEGG:C14430 xref: KEGG:D03791 xref: MetaCyc:CPD-10185 xref: PMID:24021659 {source="Europe PMC"} xref: PMID:24231740 {source="Europe PMC"} xref: PMID:24374570 {source="Europe PMC"} xref: PPDB:220 xref: Reaxys:1709141 {source="Reaxys"} xref: Wikipedia:Dichlorvos is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:37494 ! alkenyl phosphate is_a: CHEBI:38657 ! organochlorine acaricide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7Cl2O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEBRKCOSUFCWJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "220.97514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.94590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)OC=C(Cl)Cl" xsd:string [Term] id: CHEBI:34692 name: dicofol namespace: chebi_ontology def: "A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group." [] subset: 3_STAR synonym: "1,1-bis(4-chlorophenyl)-2,2,2-trichloroethanol" RELATED [ChemIDplus] synonym: "1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol" RELATED [ChemIDplus] synonym: "2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2,2,2-trichloro-1,1-bis(p-chlorophenyl)ethanol" RELATED [ChemIDplus] synonym: "4,4'-dichloro-alpha-(trichloromethyl)benzhydrol" RELATED [NIST_Chemistry_WebBook] synonym: "4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol" RELATED [NIST_Chemistry_WebBook] synonym: "Acarin" RELATED [ChemIDplus] synonym: "di-(p-chlorophenyl)trichloromethylcarbinol" RELATED [ChemIDplus] synonym: "Dicofol" EXACT [KEGG_COMPOUND] synonym: "DTMC" RELATED [NIST_Chemistry_WebBook] synonym: "Kelthane" RELATED [KEGG_COMPOUND] synonym: "Mitigan" RELATED [ChemIDplus] synonym: "p,p-dicofol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1886299 {source="ChemIDplus"} xref: CAS:115-32-2 {source="ChemIDplus"} xref: CAS:115-32-2 {source="NIST Chemistry WebBook"} xref: CAS:115-32-2 {source="KEGG COMPOUND"} xref: KEGG:C14301 xref: PPDB:223 is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:38657 ! organochlorine acaricide is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:16130 ! DDT property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H9Cl5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UOAMTSKGCBMZTC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "370.48416" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "367.90960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:34695 name: Dicyclopentadiene namespace: chebi_ontology subset: 2_STAR synonym: "Dicyclopentadiene" EXACT [KEGG_COMPOUND] xref: CAS:77-73-6 {source="KEGG COMPOUND"} xref: KEGG:C14411 xref: PPDB:225 is_a: CHEBI:33642 ! cyclic olefin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HECLRDQVFMWTQS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CC2C3CC(C=C3)C12" xsd:string [Term] id: CHEBI:34696 name: dieldrin namespace: chebi_ontology def: "An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin." [] subset: 3_STAR synonym: "(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene" RELATED [ChEBI] synonym: "(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene" RELATED [ChemIDplus] synonym: "1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-" RELATED [NIST_Chemistry_WebBook] synonym: "Dieldrin" EXACT [KEGG_COMPOUND] synonym: "HEOD" RELATED [ChEBI] synonym: "rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridec-4-ene" EXACT IUPAC_NAME [IUPAC] xref: CAS:60-57-1 {source="ChemIDplus"} xref: CAS:60-57-1 {source="NIST Chemistry WebBook"} xref: CAS:60-57-1 {source="KEGG COMPOUND"} xref: KEGG:C13718 xref: Pesticides:dieldrin {source="Alan Wood's Pesticides"} xref: PMID:17848404 {source="Europe PMC"} xref: PMID:17999924 {source="Europe PMC"} xref: PMID:18497062 {source="Europe PMC"} xref: PMID:20602524 {source="Europe PMC"} xref: PMID:21724225 {source="Europe PMC"} xref: PMID:22281775 {source="Europe PMC"} xref: PMID:23001942 {source="Europe PMC"} xref: PMID:23726008 {source="Europe PMC"} xref: PMID:23763672 {source="Europe PMC"} xref: PMID:8597127 {source="Europe PMC"} xref: PPDB:226 xref: Reaxys:91396 {source="Reaxys"} xref: Wikipedia:Dieldrin is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:32955 ! epoxide relationship: has_functional_parent CHEBI:2564 ! aldrin relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFBKLUNHFCTMDC-PICURKEMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "380.90752" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "377.87063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H]3C[C@H]([C@@H]4O[C@H]34)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:34698 name: diethyl phthalate namespace: chebi_ontology def: "The diethyl ester of benzene-1,2-dicarboxylic acid." [] subset: 3_STAR synonym: "1,2-Benzenedicarboxylic acid diethyl ester" RELATED [ChemIDplus] synonym: "1,2-Diethyl phthalate" RELATED [NIST_Chemistry_WebBook] synonym: "DEP" RELATED [ChEBI] synonym: "Diethyl 1,2-benzenedicarboxylate" RELATED [KEGG_COMPOUND] synonym: "diethyl benzene-1,2-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "diethyl benzene-1,2-dicarboxylate" RELATED [ChEBI] synonym: "Diethyl o-phthalate" RELATED [ChemIDplus] synonym: "Diethyl phthalate" EXACT [KEGG_COMPOUND] synonym: "Ethyl phthalate" RELATED [ChemIDplus] synonym: "o-Benzenedicarboxylic acid diethyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "o-Benzenedicarboxylic acid diethyl ester" RELATED [ChemIDplus] synonym: "o-Bis(ethoxycarbonyl)benzene" RELATED [ChemIDplus] synonym: "Phthalic acid diethyl ester" RELATED [ChemIDplus] synonym: "Phthalsaeurediaethylester" RELATED [ChemIDplus] xref: Beilstein:1912500 {source="Beilstein"} xref: CAS:84-66-2 {source="ChemIDplus"} xref: CAS:84-66-2 {source="KEGG COMPOUND"} xref: CAS:84-66-2 {source="NIST Chemistry WebBook"} xref: Gmelin:261704 {source="Gmelin"} xref: KEGG:C14175 xref: KEGG:D03804 xref: PMID:16784196 {source="Europe PMC"} xref: PMID:19840837 {source="Europe PMC"} xref: PMID:23880707 {source="Europe PMC"} xref: PMID:24418706 {source="Europe PMC"} xref: PMID:26004250 {source="Europe PMC"} xref: PMID:26730679 {source="Europe PMC"} xref: PMID:27639077 {source="Europe PMC"} xref: PMID:28577407 {source="Europe PMC"} xref: PMID:28580013 {source="Europe PMC"} xref: Reaxys:1912500 {source="Reaxys"} xref: Wikipedia:Diethyl_phthalate is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:35484 ! phthalate ester is_a: CHEBI:51307 ! diester relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:79056 ! plasticiser property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FLKPEMZONWLCSK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.23716" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.08921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)c1ccccc1C(=O)OCC" xsd:string [Term] id: CHEBI:34699 name: diethyl sulfate namespace: chebi_ontology def: "The diethyl ester of sulfuric acid." [] subset: 3_STAR synonym: "DES" RELATED [KEGG_COMPOUND] synonym: "Diaethylsulfat" RELATED [ChemIDplus] synonym: "diethyl sulphate" RELATED [ChemIDplus] synonym: "diethyl tetraoxosulfate" RELATED [ChemIDplus] synonym: "diethylsulfate" RELATED [ChemIDplus] synonym: "Et2SO4" RELATED [ChEBI] synonym: "ethyl sulfate" RELATED [ChEBI] synonym: "sulfuric acid diethyl ester" RELATED [ChemIDplus] synonym: "sulphuric acid diethyl ester" RELATED [NIST_Chemistry_WebBook] xref: CAS:64-67-5 {source="ChemIDplus"} xref: CAS:64-67-5 {source="NIST Chemistry WebBook"} xref: CBA:310330 {source="Europe PMC"} xref: CBA:374048 {source="Europe PMC"} xref: CBA:593867 {source="Europe PMC"} xref: Chemspider:5931 xref: HMDB:HMDB0251240 xref: KEGG:C14706 xref: PMID:15323041 {source="Europe PMC"} xref: PMID:17619463 {source="Europe PMC"} xref: PMID:20566339 {source="Europe PMC"} xref: PMID:21089860 {source="Europe PMC"} xref: PMID:21852824 {source="Europe PMC"} xref: PMID:23830811 {source="Europe PMC"} xref: PMID:24681631 {source="Europe PMC"} xref: PMID:24686557 {source="Europe PMC"} xref: PMID:25484124 {source="Europe PMC"} xref: PMID:26591512 {source="Europe PMC"} xref: PMID:2797029 {source="Europe PMC"} xref: PMID:2927429 {source="Europe PMC"} xref: PMID:29397772 {source="Europe PMC"} xref: PMID:29615826 {source="Europe PMC"} xref: PMID:30417660 {source="Europe PMC"} xref: PMID:3312952 {source="Europe PMC"} xref: Wikipedia:Diethyl_sulfate is_a: CHEBI:29281 ! alkyl sulfate relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:68495 ! apoptosis inducer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DENRZWYUOJLTMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.02998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOS(=O)(=O)OCC" xsd:string [Term] id: CHEBI:34703 name: diflubenzuron namespace: chebi_ontology def: "A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group." [] subset: 3_STAR synonym: "1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea" RELATED [ChemIDplus] synonym: "1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea" RELATED [ChemIDplus] synonym: "Diflubenzuron" EXACT [KEGG_COMPOUND] synonym: "difluron" RELATED [NIST_Chemistry_WebBook] synonym: "N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide" RELATED [KEGG_COMPOUND] synonym: "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide" RELATED [ChEBI] xref: Beilstein:2162461 {source="ChemIDplus"} xref: CAS:35367-38-5 {source="NIST Chemistry WebBook"} xref: CAS:35367-38-5 {source="ChemIDplus"} xref: CAS:35367-38-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031778 xref: KEGG:C14427 xref: KEGG:D07829 xref: PMID:19835689 {source="Europe PMC"} xref: PMID:20954045 {source="Europe PMC"} xref: PMID:22782793 {source="Europe PMC"} xref: PMID:8510122 {source="Europe PMC"} xref: PPDB:234 xref: Wikipedia:Diflubenzuron is_a: CHEBI:38494 ! benzoylurea insecticide is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:38584 ! 1,3-difluorobenzene relationship: has_role CHEBI:67105 ! insect sterilant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H9ClF2N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQQYTWIFVNKMRW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.68305" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.03206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:34714 name: dimethoate namespace: chebi_ontology def: "A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group." [] subset: 3_STAR synonym: "2-Dimethoxyphosphinothioylthio-N-methylacetamide" RELATED [ChemIDplus] synonym: "Dimethoate" EXACT [KEGG_COMPOUND] synonym: "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] dithiophosphate" RELATED [IUPAC] synonym: "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphamide" RELATED [ChemIDplus] synonym: "Phosphorodithioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester" RELATED [ChemIDplus] xref: CAS:60-51-5 {source="NIST Chemistry WebBook"} xref: CAS:60-51-5 {source="ChemIDplus"} xref: CAS:60-51-5 {source="KEGG COMPOUND"} xref: KEGG:C14326 xref: LINCS:LSM-24992 xref: Pesticides:dimethoate {source="Alan Wood's Pesticides"} xref: PMID:11054639 {source="Europe PMC"} xref: PMID:15803959 {source="Europe PMC"} xref: PPDB:244 xref: Reaxys:1785339 {source="Reaxys"} xref: Wikipedia:Dimethoate is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38731 ! N-methyl-2-sulfanylacetamide relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12NO3PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MCWXGJITAZMZEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.25948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.99962" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)CSP(=S)(OC)OC" xsd:string [Term] id: CHEBI:34719 name: dinoseb namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-dinoseb." [] subset: 3_STAR synonym: "(+-)-2-(1-Methylpropyl)-4,6-dinitrophenol" RELATED [HMDB] synonym: "(RS)-2-sec-butyl-4,6-dinitrophenol" RELATED [Alan_Wood's_Pesticides] synonym: "2,4-Dinitro-6-(1-methylpropyl)phenol" RELATED [KEGG_COMPOUND] synonym: "4,6-dinitro-o-sec-butylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "rac-2-(butan-2-yl)-4,6-dinitrophenol" EXACT IUPAC_NAME [IUPAC] xref: CAS:88-85-7 {source="KEGG COMPOUND"} xref: CAS:88-85-7 {source="ChemIDplus"} xref: HMDB:HMDB0032559 xref: KEGG:C14302 xref: Pesticides:dinoseb {source="Alan Wood's Pesticides"} xref: PMID:22536127 {source="Europe PMC"} xref: PMID:23470868 {source="Europe PMC"} xref: PMID:24034831 {source="Europe PMC"} xref: Reaxys:2058234 {source="Reaxys"} xref: Wikipedia:Dinoseb is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83633 ! (R)-dinoseb relationship: has_part CHEBI:83636 ! (S)-dinoseb relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.213" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.07462" xsd:string [Term] id: CHEBI:34733 name: EPN namespace: chebi_ontology subset: 3_STAR synonym: "EPN" EXACT [KEGG_COMPOUND] synonym: "ethyl p-nitrophenyl benzenethionophosphonate" RELATED [ChemIDplus] synonym: "O-ethyl O-(4-nitrophenyl) phenylphosphonothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O-ethyl O-(4-nitrophenyl)phenylphosphonothioate" RELATED [NIST_Chemistry_WebBook] synonym: "O-ethyl O-(p-nitrophenyl) phenylphosphonothioate" RELATED [ChemIDplus] synonym: "O-ethyl O-p-nitrophenyl phenylphosphonothioate" RELATED [KEGG_COMPOUND] synonym: "O-ethyl phenylphosphonothioic acid O-(4-nitrophenyl) ester" RELATED [ChemIDplus] xref: Beilstein:2542580 {source="Beilstein"} xref: CAS:2104-64-5 {source="NIST Chemistry WebBook"} xref: CAS:2104-64-5 {source="ChemIDplus"} xref: CAS:2104-64-5 {source="KEGG COMPOUND"} xref: KEGG:C14434 xref: PPDB:1186 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37592 ! organic phosphonate is_a: CHEBI:37735 ! phosphonic ester relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14NO4PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AIGRXSNSLVJMEA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "323.30400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.03812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1" xsd:string [Term] id: CHEBI:347401 name: pentolinium ion namespace: chebi_ontology def: "A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension." [] subset: 3_STAR synonym: "1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium)" EXACT IUPAC_NAME [IUPAC] synonym: "pentolineum" RELATED [ChEBI] synonym: "Pentolonium" RELATED [ChemIDplus] synonym: "Pentolonum" RELATED [ChemIDplus] xref: Beilstein:3905671 {source="Beilstein"} xref: CAS:144-44-5 {source="ChemIDplus"} xref: Drug_Central:2096 {source="DrugCentral"} xref: DrugBank:DB01090 xref: LINCS:LSM-5561 xref: Wikipedia:Pentolinium is_a: CHEBI:25697 ! organic cation relationship: has_part CHEBI:52145 ! pyrrolidinium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H32N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSBSKEQEUFOSDD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.42800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.25545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1" xsd:string [Term] id: CHEBI:34741 name: equol name: equol namespace: chebi_ontology subset: 2_STAR synonym: "(-)-(S)-Equol" RELATED [] synonym: "(-)-Equol" RELATED [] synonym: "(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol" EXACT [] synonym: "(S)-(-)-4',7-Isoflavandiol" RELATED [] synonym: "(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol" RELATED [] synonym: "(S)-Equol" RELATED [] synonym: "4',7-Dihydroxyisoflavan" RELATED [] synonym: "4',7-Isoflavandiol" RELATED [] synonym: "Equol" EXACT [] xref: CAS:531-95-3 xref: HMDB:HMDB0002209 xref: KEGG:C14131 xref: KNApSAcK:C00009707 xref: LIPID_MAPS_instance:LMPK12080003 xref: PMID:11410004 xref: PMID:17449595 xref: PMID:17579894 xref: PMID:17579895 xref: Wikipedia:Equol is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ADFCQWZHKCXPAJ-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.26990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:34750 name: Ethylenethiourea namespace: chebi_ontology subset: 2_STAR synonym: "2-Mercaptoimidazoline" RELATED [KEGG_COMPOUND] synonym: "Ethylenethiourea" EXACT [KEGG_COMPOUND] xref: CAS:96-45-7 {source="KEGG COMPOUND"} xref: KEGG:C14398 is_a: CHEBI:38261 ! imidazolidines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PDQAZBWRQCGBEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.159" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.02517" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S=C1NCCN1" xsd:string [Term] id: CHEBI:34760 name: fensulfothion namespace: chebi_ontology subset: 3_STAR synonym: "Dasanit" RELATED [ChemIDplus] synonym: "Fensulfothion" EXACT [KEGG_COMPOUND] synonym: "O,O-Diethyl O-(p-(methylsulfinyl)phenyl) phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-Diethyl O-4-methylsulphinylphenyl phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-diethyl O-[4-(methanesulfinyl)phenyl] phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-diethyl O-[4-(methylsulfinyl)phenyl] thiophosphate" RELATED [IUPAC] synonym: "O,O-Diethyl O-p-(methylsulfinyl)phenyl thiophosphate" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, O,O-diethyl O-(4-(methylsulfinyl)phenyl) ester" RELATED [ChemIDplus] xref: Beilstein:2219515 {source="Beilstein"} xref: CAS:115-90-2 {source="ChemIDplus"} xref: CAS:115-90-2 {source="NIST Chemistry WebBook"} xref: CAS:115-90-2 {source="KEGG COMPOUND"} xref: KEGG:C14510 xref: PPDB:1292 is_a: CHEBI:22063 ! sulfoxide is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38688 ! 4-(methylsulfinyl)phenol relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17O4PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDNBJTQLKCIJBV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "308.35604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "308.03059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O" xsd:string [Term] id: CHEBI:34761 name: fenthion namespace: chebi_ontology def: "An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities." [] subset: 3_STAR synonym: "4-Methylmercapto-3-methylphenyl dimethyl thiophosphate" RELATED [KEGG_COMPOUND] synonym: "Fenthion" EXACT [KEGG_COMPOUND] synonym: "Mercaptophos" RELATED [ChemIDplus] synonym: "MPP" RELATED [KEGG_COMPOUND] synonym: "O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-Dimethyl O-4-methylthio-m-tolyl phosphorothioate" RELATED [ChemIDplus] synonym: "O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate" RELATED [IUPAC] synonym: "O,O-Dimethyl-O-4-(methylmercapto)-3-methylphenyl thiophosphate" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl) ester" RELATED [ChemIDplus] xref: Beilstein:1974129 {source="Beilstein"} xref: CAS:55-38-9 {source="ChemIDplus"} xref: CAS:55-38-9 {source="NIST Chemistry WebBook"} xref: CAS:55-38-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033209 xref: KEGG:C14420 xref: KEGG:D07950 xref: LINCS:LSM-25615 xref: PMID:11048676 {source="Europe PMC"} xref: PMID:18558709 {source="Europe PMC"} xref: PPDB:310 xref: Reaxys:1974129 {source="Reaxys"} xref: VSDB:310 xref: Wikipedia:Fenthion is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38681 ! 4-(methylsulfanyl)-m-cresol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15O3PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PNVJTZOFSHSLTO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.33006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.02002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)Oc1ccc(SC)c(C)c1" xsd:string [Term] id: CHEBI:34768 name: furfural namespace: chebi_ontology alt_id: CHEBI:42593 def: "An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group." [] subset: 3_STAR synonym: "2-Formylfuran" RELATED [ChemIDplus] synonym: "2-Furaldehyde" RELATED [KEGG_COMPOUND] synonym: "2-Furanaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "2-Furancarbonal" RELATED [ChemIDplus] synonym: "2-Furancarboxaldehyde" RELATED [ChemIDplus] synonym: "2-Furyl-methanal" RELATED [ChemIDplus] synonym: "2-Furylcarboxaldehyde" RELATED [ChemIDplus] synonym: "Furaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "furan-2-carbaldehyde" EXACT IUPAC_NAME [IUPAC] xref: CAS:98-01-1 {source="KEGG COMPOUND"} xref: CAS:98-01-1 {source="NIST Chemistry WebBook"} xref: CAS:98-01-1 {source="ChemIDplus"} xref: KEGG:C14279 xref: KNApSAcK:C00030331 xref: MetaCyc:CPD0-2357 xref: PDBeChem:FU2 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:21925629 {source="Europe PMC"} xref: PMID:22081946 {source="Europe PMC"} xref: PMID:22133603 {source="Europe PMC"} xref: PMID:22213717 {source="Europe PMC"} xref: PMID:22277539 {source="Europe PMC"} xref: PMID:22315196 {source="Europe PMC"} xref: PMID:22504824 {source="Europe PMC"} xref: PMID:22512171 {source="Europe PMC"} xref: PMID:22592554 {source="Europe PMC"} xref: PMID:22639140 {source="Europe PMC"} xref: PMID:22648683 {source="Europe PMC"} xref: PMID:22703600 {source="Europe PMC"} xref: PPDB:368 xref: Reaxys:105755 {source="Reaxys"} xref: Wikipedia:Furfural xref: YMDB:YMDB01459 is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:24129 ! furans relationship: has_functional_parent CHEBI:35559 ! furan relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:77523 ! Maillard reaction product property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYBBIBNJHNGZAN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.08410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=Cc1ccco1" xsd:string [Term] id: CHEBI:34785 name: heptachlor namespace: chebi_ontology def: "A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations." [] subset: 3_STAR synonym: "1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene" EXACT IUPAC_NAME [IUPAC] synonym: "1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene" RELATED [ChemIDplus] synonym: "1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene" RELATED [IUPAC] synonym: "3-chlorochlordene" RELATED [ChemIDplus] synonym: "Heptachlor" EXACT [KEGG_COMPOUND] synonym: "Heptachlorane" RELATED [KEGG_COMPOUND] synonym: "Heptamul" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2058523 {source="Beilstein"} xref: CAS:76-44-8 {source="ChemIDplus"} xref: CAS:76-44-8 {source="NIST Chemistry WebBook"} xref: CAS:76-44-8 {source="KEGG COMPOUND"} xref: KEGG:C14185 xref: PMID:24177859 {source="Europe PMC"} xref: PMID:24577234 {source="Europe PMC"} xref: PPDB:378 xref: Reaxys:2058523 {source="Reaxys"} xref: Wikipedia:Heptachlor is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide relationship: has_parent_hydride CHEBI:41921 ! 1H-indene relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H5Cl7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FRCCEHPWNOQAEU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "373.31560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.82109" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:34786 name: Heptachlor epoxide namespace: chebi_ontology subset: 2_STAR synonym: "Heptachlor epoxide" EXACT [KEGG_COMPOUND] xref: CAS:1024-57-3 {source="KEGG COMPOUND"} xref: KEGG:C14327 is_a: CHEBI:46942 ! oxanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H5Cl7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXFXBSWRVIQKOD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "389.317" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "385.81601" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:34800 name: isophorone namespace: chebi_ontology def: "A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5." [] subset: 3_STAR synonym: "1,1,3-Trimethyl-3-cyclohexene-5-one" RELATED [KEGG_COMPOUND] synonym: "3,5,5-Trimethyl-2-cyclohexen-1-on" RELATED [ChemIDplus] synonym: "3,5,5-trimethylcyclohex-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "Isoacetophorone" RELATED [ChemIDplus] synonym: "Isoforone" RELATED [ChemIDplus] synonym: "Isooctopherone" RELATED [ChemIDplus] synonym: "Isophorone" EXACT [KEGG_COMPOUND] synonym: "Izoforon" RELATED [ChemIDplus] xref: Beilstein:1280721 {source="ChemIDplus"} xref: CAS:78-59-1 {source="NIST Chemistry WebBook"} xref: CAS:78-59-1 {source="ChemIDplus"} xref: CAS:78-59-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031195 xref: KEGG:C14743 xref: KNApSAcK:C00030540 xref: PMID:23183344 {source="Europe PMC"} xref: PMID:23472460 {source="Europe PMC"} xref: PMID:23506080 {source="Europe PMC"} xref: PMID:23923622 {source="Europe PMC"} xref: PPDB:1351 xref: Reaxys:1280721 {source="Reaxys"} xref: Wikipedia:Isophorone is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:51689 ! enone relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HJOVHMDZYOCNQW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.20690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(=O)CC(C)(C)C1" xsd:string [Term] id: CHEBI:34833 name: 1,3,5-trimethylbenzene namespace: chebi_ontology def: "A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5." [] subset: 3_STAR synonym: "1,3,5-Trimethylbenzene" EXACT [KEGG_COMPOUND] synonym: "1,3,5-trimethylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-dimethyltoluene" RELATED [ChemIDplus] synonym: "Mesitylene" RELATED [KEGG_COMPOUND] synonym: "s-trimethylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "sym-trimethylbenzene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:906806 {source="Beilstein"} xref: CAS:108-67-8 {source="ChemIDplus"} xref: CAS:108-67-8 {source="KEGG COMPOUND"} xref: CAS:108-67-8 {source="NIST Chemistry WebBook"} xref: Gmelin:2956 {source="Gmelin"} xref: HMDB:HMDB0041924 xref: KEGG:C14508 xref: PMID:16549407 {source="Europe PMC"} xref: Reaxys:906806 {source="Reaxys"} xref: Wikipedia:Mesitylene is_a: CHEBI:38641 ! trimethylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUHZEENZYGFFBQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.19158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(C)cc(C)c1" xsd:string [Term] id: CHEBI:34840 name: methyl methacrylate namespace: chebi_ontology def: "An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component." [] subset: 3_STAR synonym: "2-(Methoxycarbonyl)-1-propene" RELATED [ChemIDplus] synonym: "2-Methyl-2-propenoic acid methyl ester" RELATED [ChemIDplus] synonym: "2-Methylacrylic acid methyl ester" RELATED [ChemIDplus] synonym: "Methacrylate de methyle" RELATED [ChemIDplus] synonym: "Methacrylic acid methyl ester" RELATED [ChemIDplus] synonym: "Methacrylsaeuremethyl ester" RELATED [ChemIDplus] synonym: "Methyl 2-methyl-2-propenoate" RELATED [ChemIDplus] synonym: "Methyl 2-methylacrylate" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl 2-methylpropenoate" RELATED [KEGG_COMPOUND] synonym: "Methyl alpha-methylacrylate" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl methacrylate" EXACT [KEGG_COMPOUND] synonym: "Methyl methylacrylate" RELATED [ChemIDplus] synonym: "Methyl-methacrylat" RELATED [ChemIDplus] synonym: "Methylmethacrylate" RELATED [ChemIDplus] synonym: "MMA" RELATED [KEGG_COMPOUND] xref: Beilstein:605459 {source="Beilstein"} xref: CAS:80-62-6 {source="ChemIDplus"} xref: CAS:80-62-6 {source="NIST Chemistry WebBook"} xref: CAS:80-62-6 {source="KEGG COMPOUND"} xref: Gmelin:2691 {source="Gmelin"} xref: HMDB:HMDB0032385 xref: KEGG:C14527 xref: PMID:10444249 {source="Europe PMC"} xref: PMID:11714252 {source="Europe PMC"} xref: PMID:16020090 {source="Europe PMC"} xref: PMID:22566411 {source="Europe PMC"} xref: PMID:23242048 {source="Europe PMC"} xref: PMID:23306624 {source="Europe PMC"} xref: PMID:23342990 {source="Europe PMC"} xref: PMID:23432523 {source="Europe PMC"} xref: PMID:23450227 {source="Europe PMC"} xref: PMID:23508285 {source="Europe PMC"} xref: PMID:23583434 {source="Europe PMC"} xref: PMID:23584430 {source="Europe PMC"} xref: PMID:23719017 {source="Europe PMC"} xref: PMID:9036138 {source="Europe PMC"} xref: Reaxys:605459 {source="Reaxys"} xref: Wikipedia:Methyl_methacrylate is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:51702 ! enoate ester relationship: has_functional_parent CHEBI:25219 ! methacrylic acid relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:74236 ! polymerisation monomer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VVQNEPGJFQJSBK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.117" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(C(C)=C)=O" xsd:string [Term] id: CHEBI:34846 name: metribuzin namespace: chebi_ontology def: "A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3." [] subset: 3_STAR synonym: "4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one" RELATED [ChEBI] xref: CAS:21087-64-9 {source="NIST Chemistry WebBook"} xref: CAS:21087-64-9 {source="ChemIDplus"} xref: CAS:21087-64-9 {source="KEGG COMPOUND"} xref: KEGG:C14332 xref: Pesticides:metribuzin {source="Alan Wood's Pesticides"} xref: PMID:23139237 {source="Europe PMC"} xref: PMID:24328539 {source="Europe PMC"} xref: PMID:24631619 {source="Europe PMC"} xref: PPDB:469 xref: Reaxys:746650 {source="Reaxys"} xref: Wikipedia:Metribuzin is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:39410 ! 1,2,4-triazines is_a: CHEBI:3992 ! cyclic ketone relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FOXFZRUHNHCZPX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.28800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.08883" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1nnc(c(=O)n1N)C(C)(C)C" xsd:string [Term] id: CHEBI:34848 name: mevastatin namespace: chebi_ontology def: "A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals." [] subset: 3_STAR synonym: "(1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "antibiotic ML 236B" RELATED [ChemIDplus] synonym: "Compactin" RELATED [KEGG_COMPOUND] synonym: "CS 500" RELATED [ChemIDplus] synonym: "Mevastatin" EXACT [KEGG_COMPOUND] synonym: "mevastatin" EXACT [UniProt] synonym: "mevastatin" RELATED INN [WHO_MedNet] synonym: "mevastatina" RELATED INN [WHO_MedNet] synonym: "mevastatine" RELATED INN [WHO_MedNet] synonym: "mevastatinum" RELATED INN [WHO_MedNet] synonym: "ML 236 B" RELATED [ChemIDplus] synonym: "ML-236B" RELATED [KEGG_COMPOUND] xref: CAS:73573-88-3 {source="KEGG COMPOUND"} xref: CAS:73573-88-3 {source="ChemIDplus"} xref: DrugBank:DB06693 xref: KEGG:C13963 xref: KNApSAcK:C00000564 xref: LINCS:LSM-4123 xref: Patent:DE2524355 xref: Patent:US3983140 xref: PMID:11283400 {source="Europe PMC"} xref: PMID:12403272 {source="Europe PMC"} xref: PMID:15274361 {source="Europe PMC"} xref: PMID:15531285 {source="Europe PMC"} xref: PMID:15786722 {source="Europe PMC"} xref: PMID:18672387 {source="Europe PMC"} xref: PMID:18936176 {source="Europe PMC"} xref: PMID:20629200 {source="Europe PMC"} xref: PMID:23918904 {source="Europe PMC"} xref: PMID:24462564 {source="Europe PMC"} xref: PMID:3170348 {source="Europe PMC"} xref: PMID:3719857 {source="Europe PMC"} xref: Reaxys:3630717 {source="Reaxys"} xref: Wikipedia:Mevastatin is_a: CHEBI:142348 ! hexahydronaphthalenes is_a: CHEBI:26188 ! polyketide is_a: CHEBI:75885 ! 2-pyranones is_a: CHEBI:87632 ! statin (naturally occurring) relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:76964 ! Penicillium metabolite relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H34O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJLFOPYRIVGYMJ-INTXDZFKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "390.51310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.24062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12" xsd:string [Term] id: CHEBI:34852 name: mirex namespace: chebi_ontology subset: 3_STAR synonym: "1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane" RELATED [IUPAC] synonym: "CG-1283" RELATED [ChemIDplus] synonym: "Dechlorane" RELATED BRAND_NAME [ChemIDplus] synonym: "dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene" RELATED [NIST_Chemistry_WebBook] synonym: "Mirex" EXACT [KEGG_COMPOUND] synonym: "perchlorodihomocubane" RELATED [ChemIDplus] synonym: "perchloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decane" RELATED [NIST_Chemistry_WebBook] synonym: "perchloropentacyclodecane" RELATED [ChemIDplus] xref: Beilstein:2010845 {source="Beilstein"} xref: CAS:2385-85-5 {source="ChemIDplus"} xref: CAS:2385-85-5 {source="KEGG COMPOUND"} xref: CAS:2385-85-5 {source="NIST Chemistry WebBook"} xref: Gmelin:1789502 {source="Gmelin"} xref: HMDB:HMDB0059573 xref: KEGG:C14184 xref: Patent:US2702305 xref: Patent:US2724730 xref: PPDB:1294 xref: Reaxys:2010845 {source="Reaxys"} xref: Wikipedia:Mirex is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:39226 ! chlorocarbon relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10Cl12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GVYLCNUFSHDAAW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "545.53940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "539.62623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl" xsd:string [Term] id: CHEBI:34856 name: morpholine namespace: chebi_ontology def: "An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family." [] subset: 3_STAR synonym: "1,4-oxazinane" RELATED [ChEBI] synonym: "1-oxa-4-azacyclohexane" RELATED [ChemIDplus] synonym: "diethylene imidoxide" RELATED [ChemIDplus] synonym: "diethylene oximide" RELATED [ChemIDplus] synonym: "diethylenimide oxide" RELATED [ChemIDplus] synonym: "Morpholine" EXACT [KEGG_COMPOUND] synonym: "morpholine" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydro-1,4-oxazine" RELATED [KEGG_COMPOUND] synonym: "tetrahydro-p-oxazine" RELATED [ChemIDplus] xref: Beilstein:102549 {source="Beilstein"} xref: CAS:110-91-8 {source="ChemIDplus"} xref: CAS:110-91-8 {source="NIST Chemistry WebBook"} xref: CAS:110-91-8 {source="KEGG COMPOUND"} xref: Chemspider:13837537 xref: DrugBank:DB13669 xref: FooDB:FDB008207 xref: Gmelin:1803 {source="Gmelin"} xref: HMDB:HMDB0031581 xref: KEGG:C14452 xref: PDBeChem:6LR xref: PMID:15017096 {source="Europe PMC"} xref: PMID:2699898 {source="Europe PMC"} xref: PMID:31512284 {source="Europe PMC"} xref: PMID:31978684 {source="Europe PMC"} xref: PMID:32017384 {source="Europe PMC"} xref: PMID:33459557 {source="Europe PMC"} xref: Wikipedia:Morpholine is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:38785 ! morpholines relationship: is_conjugate_base_of CHEBI:167868 ! morpholinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.122" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCN1" xsd:string [Term] id: CHEBI:34873 name: N-nitrosodiethylamine namespace: chebi_ontology def: "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom." [] subset: 3_STAR synonym: "1,1-diethyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "DANA" RELATED [NIST_Chemistry_WebBook] synonym: "DEN" RELATED [NIST_Chemistry_WebBook] synonym: "Diethylnitrosamine" RELATED [KEGG_COMPOUND] synonym: "diethylnitrosoamine" RELATED [ChemIDplus] synonym: "N,N-diethylnitrosamine" RELATED [ChemIDplus] synonym: "N,N-diethylnitrosoamine" RELATED [ChemIDplus] synonym: "N-ethyl-N-nitrosoethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-Nitrosodiethylamine" EXACT [KEGG_COMPOUND] synonym: "NDEA" RELATED [KEGG_COMPOUND] xref: Beilstein:1744991 {source="Beilstein"} xref: CAS:55-18-5 {source="NIST Chemistry WebBook"} xref: CAS:55-18-5 {source="ChemIDplus"} xref: CAS:55-18-5 {source="KEGG COMPOUND"} xref: KEGG:C14422 xref: PMID:24696076 {source="Europe PMC"} xref: PMID:24755254 {source="Europe PMC"} xref: Reaxys:1744991 {source="Reaxys"} is_a: CHEBI:35803 ! nitrosamine relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBNQDOYYEUMPFS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.135" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.07931" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)N=O" xsd:string [Term] id: CHEBI:34875 name: N-Nitrosodiphenylamine namespace: chebi_ontology subset: 2_STAR synonym: "N-Nitrosodiphenylamine" EXACT [KEGG_COMPOUND] xref: CAS:86-30-6 {source="KEGG COMPOUND"} xref: KEGG:C14742 is_a: CHEBI:25996 ! phenylhydrazines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UBUCNCOMADRQHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.221" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.07931" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=NN(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:34877 name: N-Phenyl-2-naphthylamine namespace: chebi_ontology subset: 2_STAR synonym: "2-Phenylaminonaphthalene" RELATED [KEGG_COMPOUND] synonym: "N-Phenyl-2-naphthylamine" EXACT [KEGG_COMPOUND] synonym: "Neozone" RELATED [KEGG_COMPOUND] xref: CAS:135-88-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0032865 xref: KEGG:C14694 is_a: CHEBI:25477 ! naphthalenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEQFTVQCIQJIQW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.10480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(c1ccccc1)c1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:34892 name: nocodazole namespace: chebi_ontology def: "A member of the class of benzimidazoles that is benzimidalole which is substituted at position 2 by a (methoxycarbonyl)amino group and at position 5 by a 2-thienoyl group. It is an antineoplastic agent that exerts its effect by depolymerising microtubules." [] subset: 3_STAR synonym: "(5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester" RELATED [ChemIDplus] synonym: "methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate" RELATED [ChemIDplus] synonym: "methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl N-(5-thenoyl-2-benzimidazolyl)carbamate" RELATED [NIST_Chemistry_WebBook] synonym: "N-(5-(2-thenoyl)-2-benzimidazolyl)carbamic acid methyl ester" RELATED [ChemIDplus] synonym: "N-(5-(2-thienoyl)-2-benzimidazolyl)carbamic acid methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "nocodazol" RELATED INN [ChemIDplus] synonym: "nocodazole" RELATED INN [WHO_MedNet] synonym: "nocodazole" RELATED INN [KEGG_DRUG] synonym: "nocodazolum" RELATED INN [ChemIDplus] synonym: "oncodazole" RELATED [ChemIDplus] synonym: "R 17934" RELATED [ChemIDplus] synonym: "R-17934" RELATED [ChEBI] synonym: "R17,934" RELATED [ChemIDplus] xref: Beilstein:1085978 {source="Beilstein"} xref: CAS:31430-18-9 {source="ChemIDplus"} xref: CAS:31430-18-9 {source="NIST Chemistry WebBook"} xref: CAS:31430-18-9 {source="KEGG COMPOUND"} xref: DrugBank:DB08313 xref: KEGG:C13719 xref: KEGG:D05197 xref: LINCS:LSM-2260 xref: PDBeChem:NZO xref: PMID:11679255 {source="Europe PMC"} xref: PMID:20399776 {source="Europe PMC"} xref: PMID:22002881 {source="Europe PMC"} xref: PMID:23869451 {source="Europe PMC"} xref: PMID:518692 {source="Europe PMC"} xref: PMID:6384770 {source="Europe PMC"} xref: PMID:7199049 {source="Europe PMC"} xref: PMID:7284368 {source="Europe PMC"} xref: PMID:7344613 {source="Europe PMC"} xref: Reaxys:1085978 {source="Reaxys"} xref: Wikipedia:Nocodazole is_a: CHEBI:22715 ! benzimidazoles is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:26961 ! thiophenes is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:61951 ! microtubule-destabilising agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11N3O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KYRVNWMVYQXFEU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "301.32000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "301.05211" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1cccs1" xsd:string [Term] id: CHEBI:34905 name: paraquat namespace: chebi_ontology def: "An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions." [] subset: 3_STAR synonym: "1,1'-Dimethyl-4,4'-bipyridinium" RELATED [KEGG_COMPOUND] synonym: "1,1'-dimethyl-4,4'-bipyridyldiylium" RELATED [ChemIDplus] synonym: "1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyl viologen" RELATED [ChemIDplus] synonym: "methyl viologen ion(2+)" RELATED [ChemIDplus] synonym: "N,N'-dimethyl-4,4'-bipyridinium" RELATED [ChemIDplus] synonym: "N,N'-dimethyl-4,4'-bipyridinium dication" RELATED [ChemIDplus] synonym: "Paraquat" EXACT [KEGG_COMPOUND] synonym: "paraquat dication" RELATED [ChemIDplus] synonym: "paraquat ion" RELATED [ChemIDplus] xref: Beilstein:3590305 {source="Beilstein"} xref: CAS:4685-14-7 {source="ChemIDplus"} xref: CAS:4685-14-7 {source="NIST Chemistry WebBook"} xref: CAS:4685-14-7 {source="KEGG COMPOUND"} xref: Chemspider:15147 xref: FooDB:FDB011120 xref: Gmelin:51125 {source="Gmelin"} xref: KEGG:C14701 xref: Pesticides:paraquat {source="Alan Wood's Pesticides"} xref: PMID:11349957 {source="Europe PMC"} xref: PMID:18620719 {source="Europe PMC"} xref: PMID:20377249 {source="Europe PMC"} xref: PMID:20582739 {source="Europe PMC"} xref: PMID:21151885 {source="Europe PMC"} xref: PMID:21236547 {source="Europe PMC"} xref: PMID:21300143 {source="Europe PMC"} xref: PMID:21318114 {source="Europe PMC"} xref: PMID:21429624 {source="Europe PMC"} xref: PMID:21493003 {source="Europe PMC"} xref: PMID:21598522 {source="Europe PMC"} xref: PMID:21616728 {source="Europe PMC"} xref: PMID:21619794 {source="Europe PMC"} xref: PMID:21619822 {source="Europe PMC"} xref: PMID:21750730 {source="Europe PMC"} xref: PMID:21777615 {source="Europe PMC"} xref: PMID:21787677 {source="Europe PMC"} xref: PMID:21802509 {source="Europe PMC"} xref: PPDB:505 xref: Reaxys:3590305 {source="Reaxys"} is_a: CHEBI:25697 ! organic cation relationship: has_parent_hydride CHEBI:30985 ! 4,4'-bipyridine relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:24527 ! herbicide property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "INFDPOAKFNIJBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.25304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.11460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[n+]1ccc(cc1)-c1cc[n+](C)cc1" xsd:string [Term] id: CHEBI:34908 name: pentachloronitrobenzene namespace: chebi_ontology def: "A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union." [] subset: 3_STAR synonym: "1,2,3,4,5-pentachloro-6-nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,4,5,6-pentachloronitrobenzene" RELATED [ChEBI] synonym: "Avicol" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Batrilex" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Botrilex" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Brassicol" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Earthcide" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Fartox" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Folosan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Fungiclor" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "nitropentachlorobenzene" RELATED [ChemIDplus] synonym: "PCNB" RELATED [KEGG_COMPOUND] synonym: "Pentachlornitrobenzol" RELATED [ChemIDplus] synonym: "pentachlornitrobenzol" RELATED [NIST_Chemistry_WebBook] synonym: "Pentachloronitrobenzene" EXACT [KEGG_COMPOUND] synonym: "Pentagen" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Phomasan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "PKhNC" RELATED [ChEBI] synonym: "Quintozene" RELATED [KEGG_COMPOUND] synonym: "Terrachlor" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Terraclor" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Terrafun" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Tilcarex" RELATED BRAND_NAME [NIST_Chemistry_WebBook] xref: AGR:IND86085618 {source="Europe PMC"} xref: CAS:82-68-8 {source="KEGG COMPOUND"} xref: CAS:82-68-8 {source="ChemIDplus"} xref: CAS:82-68-8 {source="NIST Chemistry WebBook"} xref: KEGG:C14338 xref: Patent:US7629159 xref: Pesticides:quintozene {source="Alan Wood's Pesticides"} xref: PMID:18294675 {source="Europe PMC"} xref: PMID:19298997 {source="Europe PMC"} xref: PMID:19429557 {source="Europe PMC"} xref: PMID:19959285 {source="Europe PMC"} xref: PMID:20022079 {source="Europe PMC"} xref: PMID:20131084 {source="Europe PMC"} xref: PMID:20560598 {source="Europe PMC"} xref: PMID:22074892 {source="Europe PMC"} xref: PMID:22112041 {source="Europe PMC"} xref: PMID:23454455 {source="Europe PMC"} xref: PMID:23474338 {source="Europe PMC"} xref: PMID:3311683 {source="Europe PMC"} xref: PMID:7027636 {source="Europe PMC"} xref: PMID:7445521 {source="Europe PMC"} xref: PPDB:581 xref: Reaxys:1914324 {source="Reaxys"} xref: Wikipedia:Pentachloronitrobenzene is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:83390 ! pentachlorobenzenes is_a: CHEBI:87034 ! aromatic fungicide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6Cl5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKPLKUMXSAEKID-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "295.33500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.83717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:34911 name: permethrin namespace: chebi_ontology def: "A cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups." [] subset: 3_STAR synonym: "(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate" RELATED [ChemIDplus] synonym: "3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester" RELATED [ChemIDplus] synonym: "3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Permethrin" EXACT [KEGG_COMPOUND] synonym: "permethrin" RELATED INN [ChemIDplus] xref: CAS:52645-53-1 {source="ChemIDplus"} xref: CAS:52645-53-1 {source="KEGG COMPOUND"} xref: Drug_Central:4152 {source="DrugCentral"} xref: DrugBank:DB04930 xref: KEGG:C14388 xref: KEGG:D05443 xref: PMID:11082455 {source="Europe PMC"} xref: PMID:12419701 {source="Europe PMC"} xref: PMID:14617103 {source="Europe PMC"} xref: PMID:15599112 {source="Europe PMC"} xref: PMID:15663293 {source="Europe PMC"} xref: PMID:15966049 {source="Europe PMC"} xref: PMID:16423402 {source="Europe PMC"} xref: PMID:16481707 {source="Europe PMC"} xref: PMID:16599165 {source="Europe PMC"} xref: PMID:17140720 {source="Europe PMC"} xref: PMID:17220085 {source="Europe PMC"} xref: PMID:17451859 {source="Europe PMC"} xref: PMID:17597311 {source="Europe PMC"} xref: PMID:17980950 {source="Europe PMC"} xref: PMID:18274958 {source="Europe PMC"} xref: PMID:18570364 {source="Europe PMC"} xref: PMID:18692543 {source="Europe PMC"} xref: PMID:18723882 {source="Europe PMC"} xref: PMID:19079720 {source="Europe PMC"} xref: PMID:19090765 {source="Europe PMC"} xref: PMID:19278716 {source="Europe PMC"} xref: PMID:19343362 {source="Europe PMC"} xref: PMID:19835699 {source="Europe PMC"} xref: PMID:19962303 {source="Europe PMC"} xref: PMID:20960224 {source="Europe PMC"} xref: PMID:21069313 {source="Europe PMC"} xref: PMID:21133424 {source="Europe PMC"} xref: PMID:21235202 {source="Europe PMC"} xref: PMID:21240732 {source="Europe PMC"} xref: PMID:21251955 {source="Europe PMC"} xref: PMID:21352824 {source="Europe PMC"} xref: PMID:21485369 {source="Europe PMC"} xref: PMID:21756140 {source="Europe PMC"} xref: PMID:21809414 {source="Europe PMC"} xref: PMID:21812972 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PPDB:515 xref: Reaxys:5765325 {source="Reaxys"} xref: VSDB:515 xref: Wikipedia:Permethrin is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:39308 ! 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38956 ! ectoparasiticide relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide relationship: has_role CHEBI:73333 ! scabicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLLPVAHGXHCWKJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "391.28710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.07895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1" xsd:string [Term] id: CHEBI:34914 name: phenolphthalein namespace: chebi_ontology subset: 2_STAR synonym: "3,3-Bis(4-hydroxyphenyl)phthalide" RELATED [KEGG_COMPOUND] synonym: "euchessina" RELATED [DrugCentral] synonym: "Phenolphthalein" EXACT [KEGG_COMPOUND] synonym: "phthalimetten" RELATED [DrugCentral] synonym: "phthalin" RELATED [DrugCentral] xref: CAS:77-09-8 {source="KEGG COMPOUND"} xref: Drug_Central:2135 {source="DrugCentral"} xref: KEGG:C14286 xref: KEGG:D05456 xref: LINCS:LSM-2432 is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:38085 ! 2-benzofuran-1(3H)-one property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H14O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KJFMBFZCATUALV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "318.324" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "318.08921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:34916 name: phenothrin namespace: chebi_ontology subset: 3_STAR synonym: "2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester" RELATED [ChemIDplus] synonym: "3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Phenothrin" EXACT [KEGG_COMPOUND] synonym: "Sumithrin" RELATED [KEGG_COMPOUND] xref: Beilstein:2160930 {source="Beilstein"} xref: CAS:26002-80-2 {source="KEGG COMPOUND"} xref: CAS:26002-80-2 {source="ChemIDplus"} xref: Drug_Central:4686 {source="DrugCentral"} xref: KEGG:C14387 xref: KEGG:D08357 xref: LINCS:LSM-4363 xref: PPDB:517 xref: VSDB:517 is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:3680 ! chrysanthemic acid relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H26O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBNFWQZLDJGRLK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "350.45074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "350.18819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C" xsd:string [Term] id: CHEBI:34922 name: picloram namespace: chebi_ontology def: "A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops." [] subset: 3_STAR synonym: "3,5,6-trichloro-4-amino-2-pyridinecarboxylic acid" RELATED [ChEBI] synonym: "3,5,6-trichloro-4-aminopicolinic acid" RELATED [ChemIDplus] synonym: "4-amino-3,5,6-trichloro-2-picolinic acid" RELATED [ChemIDplus] synonym: "4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid" RELATED [Alan_Wood's_Pesticides] synonym: "4-amino-3,5,6-trichloropicolinic acid" RELATED [Alan_Wood's_Pesticides] synonym: "4-amino-3,5,6-trichloropyridine-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Access" RELATED BRAND_NAME [ChEBI] synonym: "Amdon" RELATED BRAND_NAME [ChemIDplus] synonym: "Borolin" RELATED BRAND_NAME [ChemIDplus] synonym: "Grazon" RELATED BRAND_NAME [ChEBI] synonym: "K-Pin" RELATED BRAND_NAME [ChemIDplus] synonym: "Pathway" RELATED BRAND_NAME [ChEBI] synonym: "picloram acid" RELATED [PPDB] synonym: "piclorame" RELATED [PPDB] synonym: "Tordon" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND606190450 {source="Europe PMC"} xref: Beilstein:0479075 {source="Beilstein"} xref: CAS:1918-02-1 {source="NIST Chemistry WebBook"} xref: CAS:1918-02-1 {source="ChemIDplus"} xref: KEGG:C14310 xref: Pesticides:picloram {source="Alan Wood's Pesticides"} xref: PMID:11319026 {source="Europe PMC"} xref: PMID:11368227 {source="Europe PMC"} xref: PMID:12128102 {source="Europe PMC"} xref: PMID:16920877 {source="Europe PMC"} xref: PMID:24737019 {source="Europe PMC"} xref: PMID:28281061 {source="Europe PMC"} xref: PMID:28819832 {source="Europe PMC"} xref: PMID:29948674 {source="Europe PMC"} xref: PMID:31055199 {source="Europe PMC"} xref: PMID:31254607 {source="Europe PMC"} xref: PMID:31382345 {source="Europe PMC"} xref: PMID:31414816 {source="Europe PMC"} xref: PMID:3567404 {source="Europe PMC"} xref: PMID:5153743 {source="Europe PMC"} xref: PPDB:525 xref: Wikipedia:Picloram is_a: CHEBI:26420 ! pyridinemonocarboxylic acid is_a: CHEBI:38207 ! aminopyridine is_a: CHEBI:38656 ! organochlorine pesticide is_a: CHEBI:39173 ! chloropyridine relationship: has_functional_parent CHEBI:28747 ! picolinic acid relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:26841 ! synthetic auxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl3N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQQVFXUMIDALNH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.92601" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(C(=O)O)=NC(=C1Cl)Cl)Cl)N" xsd:string [Term] id: CHEBI:34934 name: prometon namespace: chebi_ontology def: "A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group." [] subset: 3_STAR synonym: "2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine" RELATED [KEGG_COMPOUND] synonym: "2,4-bis(isopropylamino)-6-methoxy-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-4,6-bis(isopropylamino)-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-4,6-bis(isopropylamino)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "4,6-bis(isopropylamino)-2-methoxy-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "Gesafram" RELATED [NIST_Chemistry_WebBook] synonym: "methoxypropazine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine" RELATED [IUPAC] synonym: "N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine" RELATED [NIST_Chemistry_WebBook] synonym: "Pramitol" RELATED [NIST_Chemistry_WebBook] synonym: "Prometon" EXACT [KEGG_COMPOUND] synonym: "prometone" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:613574 {source="Beilstein"} xref: CAS:1610-18-0 {source="NIST Chemistry WebBook"} xref: CAS:1610-18-0 {source="ChemIDplus"} xref: CAS:1610-18-0 {source="KEGG COMPOUND"} xref: Gmelin:1044586 {source="Gmelin"} xref: KEGG:C14186 xref: LINCS:LSM-4231 xref: Pesticides:prometon {source="Alan Wood's Pesticides"} xref: PMID:19673294 {source="Europe PMC"} xref: PMID:22720575 {source="Europe PMC"} xref: PMID:24597577 {source="Europe PMC"} xref: PPDB:541 xref: Reaxys:613574 {source="Reaxys"} xref: Wikipedia:Prometon is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38177 ! methoxy-1,3,5-triazine relationship: has_functional_parent CHEBI:38930 ! 6-methoxy-1,3,5-triazine-2,4-diamine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISEUFVQQFVOBCY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.29096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.15896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1nc(NC(C)C)nc(NC(C)C)n1" xsd:string [Term] id: CHEBI:34935 name: propyzamide namespace: chebi_ontology def: "A member of the class of benzamides resulting from the formal condensation of the carboxy group of 3,5-dichlorobenzoic acid with the amino group of 2-methylbut-3-yn-2-amine. It is used as a systemic post-emergent herbicide for the control grass and broadleaf weeds in a wide range of in a wide variety of fruit and root crops." [] subset: 3_STAR synonym: "3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide" RELATED [Alan_Wood's_Pesticides] synonym: "3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide" RELATED [Alan_Wood's_Pesticides] synonym: "3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Cohort" RELATED BRAND_NAME [ChEBI] synonym: "Kerb" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Kerb Flo" RELATED BRAND_NAME [ChEBI] synonym: "Pronamide" RELATED [KEGG_COMPOUND] synonym: "Rustler" RELATED BRAND_NAME [ChEBI] xref: CAS:23950-58-5 {source="ChemIDplus"} xref: CAS:23950-58-5 {source="Alan Wood's Pesticides"} xref: CAS:23950-58-5 {source="NIST Chemistry WebBook"} xref: CAS:23950-58-5 {source="KEGG COMPOUND"} xref: KEGG:C14333 xref: Patent:US3534908 xref: Patent:US3640699 xref: Pesticides:propyzamide {source="Alan Wood's Pesticides"} xref: PMID:25092647 {source="Europe PMC"} xref: PMID:25541381 {source="Europe PMC"} xref: PMID:25707858 {source="Europe PMC"} xref: PMID:25846364 {source="Europe PMC"} xref: PMID:25846366 {source="Europe PMC"} xref: PPDB:556 xref: Reaxys:882391 {source="Reaxys"} is_a: CHEBI:22702 ! benzamides is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:73477 ! terminal acetylenic compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11Cl2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHNUZKMIPFFYSO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.128" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.02177" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C#CC(NC(C1=CC(=CC(=C1)Cl)Cl)=O)(C)C" xsd:string [Term] id: CHEBI:34938 name: propoxur namespace: chebi_ontology def: "A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group." [] subset: 3_STAR synonym: "2-(1-methylethoxy)phenyl methylcarbamate" RELATED [IUPAC] synonym: "2-(propan-2-yloxy)phenyl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "2-Isopropoxyphenyl methylcarbamate" RELATED [ChemIDplus] synonym: "2-Isopropoxyphenyl N-methylcarbamate" RELATED [KEGG_COMPOUND] synonym: "Aprocarb" RELATED [KEGG_COMPOUND] synonym: "Baygon" RELATED [ChemIDplus] synonym: "Propoxur" EXACT [KEGG_COMPOUND] synonym: "propoxur" EXACT [UniProt] xref: CAS:114-26-1 {source="ChemIDplus"} xref: CAS:114-26-1 {source="NIST Chemistry WebBook"} xref: CAS:114-26-1 {source="KEGG COMPOUND"} xref: KEGG:C14334 xref: KEGG:D08442 xref: Pesticides:propoxur {source="Alan Wood's Pesticides"} xref: PMID:19019354 {source="Europe PMC"} xref: PMID:23201499 {source="Europe PMC"} xref: PMID:24733834 {source="Europe PMC"} xref: PMID:25016118 {source="Europe PMC"} xref: PPDB:553 xref: Reaxys:1879891 {source="Reaxys"} xref: VSDB:553 xref: Wikipedia:Propoxur is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:35618 ! aromatic ether relationship: has_functional_parent CHEBI:38547 ! 2-isopropoxyphenol relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H15NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISRUGXGCCGIOQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.24170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.10519" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1ccccc1OC(C)C" xsd:string [Term] id: CHEBI:34956 name: ruthenium red namespace: chebi_ontology subset: 3_STAR synonym: "[{Ru(NH3)5}(mu-O){Ru(NH3)4}(mu-O){Ru(NH3)5}]Cl6" RELATED [ChEBI] synonym: "Ruthenium red" EXACT [KEGG_COMPOUND] synonym: "tetradecaammine dioxotriruthenium hexachloride" RELATED [ChemIDplus] synonym: "tetradecaammine-1kappa(5)N,2kappa(5)N,3kappa(4)N-di-mu-oxidotriruthenium hexachloride" EXACT IUPAC_NAME [IUPAC] xref: CAS:25125-46-6 {source="ChemIDplus"} xref: CAS:25125-46-6 {source="KEGG COMPOUND"} xref: Gmelin:53071 {source="Gmelin"} xref: KEGG:C13932 xref: Reaxys:14328304 {source="Reaxys"} xref: Reaxys:14404389 {source="Reaxys"} xref: Reaxys:15563844 {source="Reaxys"} is_a: CHEBI:35733 ! ruthenium coordination entity relationship: has_role CHEBI:139361 ! TRP channel blocker relationship: has_role CHEBI:38809 ! ryanodine receptor modulator property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6H42N14O2Ru3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H42N14O2Ru3.6Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;;;3*+2/p-6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXYSDUPLHOJIOR-UHFFFAOYSA-H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "786.35000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "785.88766" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[H][N+]([H])([H])[Ru--](O[Ru-3]([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H])(O[Ru-3]([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H])([N+]([H])([H])[H])([N+]([H])([H])[H])[N+]([H])([H])[H]" xsd:string [Term] id: CHEBI:35005 name: tetrachlorvinphos namespace: chebi_ontology subset: 3_STAR synonym: "(1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate" RELATED [ChemIDplus] synonym: "2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate" RELATED [KEGG_COMPOUND] synonym: "Gardona" RELATED [ChemIDplus] synonym: "Stirofos" RELATED [ChemIDplus] synonym: "Stirophos" RELATED [ChemIDplus] synonym: "Tetrachlorvinphos" EXACT [KEGG_COMPOUND] xref: Beilstein:1890909 {source="Beilstein"} xref: CAS:22248-79-9 {source="KEGG COMPOUND"} xref: CAS:22248-79-9 {source="ChemIDplus"} xref: KEGG:C14513 xref: KEGG:D05929 xref: PPDB:625 xref: VSDB:625 is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:37494 ! alkenyl phosphate relationship: has_functional_parent CHEBI:38961 ! 1-phenylethenol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9Cl4O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UBCKGWBNUIFUST-YHYXMXQVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "365.96062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "363.89926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)O\\C(c1cc(Cl)c(Cl)cc1Cl)=C/Cl" xsd:string [Term] id: CHEBI:35006 name: Tetracycline hydrochloride namespace: chebi_ontology subset: 2_STAR synonym: "Tetracycline hydrochloride" EXACT [KEGG_COMPOUND] xref: CAS:64-75-5 {source="KEGG COMPOUND"} xref: KEGG:D02122 is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H24N2O8.HCl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "480.896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "480.12994" xsd:string [Term] id: CHEBI:35008 name: tetralin namespace: chebi_ontology def: "An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene." [] subset: 3_STAR synonym: "1,2,3,4-Tetrahydronaphthalene" RELATED [KEGG_COMPOUND] synonym: "1,2,3,4-tetrahydronaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "benzocyclohexane" RELATED [NIST_Chemistry_WebBook] synonym: "naphthalene 1,2,3,4-tetrahydride" RELATED [ChemIDplus] synonym: "tetralene" RELATED [NIST_Chemistry_WebBook] synonym: "Tetralin" EXACT [KEGG_COMPOUND] xref: Beilstein:1446407 {source="Beilstein"} xref: CAS:119-64-2 {source="ChemIDplus"} xref: CAS:119-64-2 {source="KEGG COMPOUND"} xref: CAS:119-64-2 {source="NIST Chemistry WebBook"} xref: Gmelin:3348 {source="Gmelin"} xref: KEGG:C14114 xref: PMID:23732916 {source="Europe PMC"} xref: PMID:24325207 {source="Europe PMC"} xref: Reaxys:1446407 {source="Reaxys"} xref: Wikipedia:Tetralin is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon is_a: CHEBI:36786 ! tetralins relationship: has_parent_hydride CHEBI:16482 ! naphthalene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXWXQJXEFPUFDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.20228" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCc2ccccc2C1" xsd:string [Term] id: CHEBI:35011 name: Thiobencarb namespace: chebi_ontology subset: 2_STAR synonym: "Benthiocarb" RELATED [KEGG_COMPOUND] synonym: "S-4-Chlorobenzyl diethylthiocarbamate" RELATED [KEGG_COMPOUND] synonym: "Thiobencarb" EXACT [KEGG_COMPOUND] xref: CAS:28249-77-6 {source="KEGG COMPOUND"} xref: KEGG:C14428 xref: PPDB:636 is_a: CHEBI:38128 ! monothiocarbamic ester is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H16ClNOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QHTQREMOGMZHJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.781" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.06411" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)SCc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:35019 name: tributyl phosphate namespace: chebi_ontology def: "A trialkyl phosphate that is the tributyl ester of phosphoric acid." [] subset: 3_STAR synonym: "Butyl phosphate" RELATED [ChemIDplus] synonym: "Phosphoric acid tri-n-butyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphoric acid, tributyl ester" RELATED [ChemIDplus] synonym: "TBP" RELATED [KEGG_COMPOUND] synonym: "Tri-n-butyl phosphate" RELATED [ChemIDplus] synonym: "Tributyl phosphate" EXACT [KEGG_COMPOUND] synonym: "Tributyle (phosphate de)" RELATED [ChemIDplus] synonym: "Tributylphosphat" RELATED [ChemIDplus] synonym: "Tributylphosphate" RELATED [ChemIDplus] xref: Beilstein:1710584 {source="Beilstein"} xref: CAS:126-73-8 {source="ChemIDplus"} xref: CAS:126-73-8 {source="KEGG COMPOUND"} xref: KEGG:C14439 xref: PMID:23644771 {source="Europe PMC"} xref: PMID:23963271 {source="Europe PMC"} xref: Wikipedia:Tributyl_phosphate is_a: CHEBI:37562 ! trialkyl phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H27O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "STCOOQWBFONSKY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.31414" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.16470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOP(=O)(OCCCC)OCCCC" xsd:string [Term] id: CHEBI:35026 name: triethylamine namespace: chebi_ontology def: "A tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group." [] subset: 3_STAR synonym: "(C2H5)3N" RELATED [NIST_Chemistry_WebBook] synonym: "(diethylamino)ethane" RELATED [NIST_Chemistry_WebBook] synonym: "N,N,N-triethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-Diethylethanamine" RELATED [KEGG_COMPOUND] synonym: "N,N-diethylethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "NEt3" RELATED [IUPAC] synonym: "TEA" RELATED [ChemIDplus] synonym: "TEN" RELATED [ChemIDplus] synonym: "Triaethylamin" RELATED [ChEBI] synonym: "Triethylamin" RELATED [ChEBI] synonym: "Triethylamine" EXACT [KEGG_COMPOUND] xref: Beilstein:605283 {source="Beilstein"} xref: CAS:121-44-8 {source="ChemIDplus"} xref: CAS:121-44-8 {source="NIST Chemistry WebBook"} xref: CAS:121-44-8 {source="KEGG COMPOUND"} xref: Gmelin:2455 {source="Gmelin"} xref: HMDB:HMDB0032539 xref: KEGG:C14691 xref: MetaCyc:TRIETHYLAMINE xref: PDBeChem:TEA xref: PMID:24359525 {source="Europe PMC"} xref: Reaxys:605283 {source="Reaxys"} xref: Wikipedia:Triethylamine is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMANZCXQSJIPKH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.19004" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.12045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CC" xsd:string [Term] id: CHEBI:35027 name: trifluralin namespace: chebi_ontology def: "A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide." [] subset: 3_STAR synonym: "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine" RELATED [NIST_Chemistry_WebBook] xref: CAS:1582-09-8 {source="KEGG COMPOUND"} xref: CAS:1582-09-8 {source="NIST Chemistry WebBook"} xref: CAS:1582-09-8 {source="ChemIDplus"} xref: KEGG:C14343 xref: Pesticides:trifluralin {source="Alan Wood's Pesticides"} xref: PMID:21544921 {source="Europe PMC"} xref: PMID:24584589 {source="Europe PMC"} xref: PMID:24984475 {source="Europe PMC"} xref: PMID:25277710 {source="Europe PMC"} xref: PPDB:667 xref: Reaxys:1893555 {source="Reaxys"} xref: Wikipedia:Trifluralin is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16F3N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSDSQXJSNMTJDA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "335.27900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "335.10929" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O" xsd:string [Term] id: CHEBI:35033 name: triphenyl phosphate namespace: chebi_ontology def: "An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol." [] subset: 3_STAR synonym: "Phosphoric acid, triphenyl ester" RELATED [ChEBI] synonym: "TPP" RELATED [ChemIDplus] synonym: "Triphenoxyphosphine oxide" RELATED [ChemIDplus] synonym: "Triphenyl phosphate" EXACT [KEGG_COMPOUND] synonym: "triphenyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Triphenylphosphate" RELATED [ChemIDplus] xref: Beilstein:1888236 {source="Beilstein"} xref: CAS:115-86-6 {source="ChemIDplus"} xref: CAS:115-86-6 {source="NIST Chemistry WebBook"} xref: CAS:115-86-6 {source="KEGG COMPOUND"} xref: KEGG:C14235 xref: PMID:24316320 {source="Europe PMC"} xref: PMID:24395120 {source="Europe PMC"} xref: Reaxys:1888236 {source="Reaxys"} xref: Wikipedia:Triphenyl_phosphate is_a: CHEBI:36943 ! aryl phosphate relationship: has_functional_parent CHEBI:15882 ! phenol relationship: has_role CHEBI:79056 ! plasticiser relationship: has_role CHEBI:79314 ! flame retardant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XZZNDPSIHUTMOC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.28306" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.07080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1" xsd:string [Term] id: CHEBI:35036 name: fentin chloride namespace: chebi_ontology def: "An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans." [] subset: 3_STAR synonym: "Chlorotriphenylstannane" RELATED [ChemIDplus] synonym: "Chlorotriphenyltin" RELATED [ChemIDplus] synonym: "TPTC" RELATED [NIST_Chemistry_WebBook] synonym: "Triphenylchlorostannane" RELATED [ChemIDplus] synonym: "Triphenylchlorotin" RELATED [NIST_Chemistry_WebBook] synonym: "triphenylstannylium chloride" RELATED [Alan_Wood's_Pesticides] synonym: "Triphenyltin chloride" RELATED [ChemIDplus] synonym: "Triphenyltin chloride" RELATED [KEGG_COMPOUND] xref: CAS:639-58-7 {source="NIST Chemistry WebBook"} xref: CAS:639-58-7 {source="ChemIDplus"} xref: CAS:639-58-7 {source="KEGG COMPOUND"} xref: KEGG:C14413 xref: LINCS:LSM-37196 xref: PMID:1280083 {source="Europe PMC"} xref: PMID:1677872 {source="Europe PMC"} xref: PMID:19882143 {source="Europe PMC"} xref: PMID:20591183 {source="Europe PMC"} xref: PMID:20708649 {source="Europe PMC"} xref: PMID:2084225 {source="Europe PMC"} xref: PMID:22002760 {source="Europe PMC"} xref: PMID:23128992 {source="Europe PMC"} xref: PMID:23981671 {source="Europe PMC"} xref: PMID:25045140 {source="Europe PMC"} xref: PMID:7679203 {source="Europe PMC"} xref: PPDB:1477 xref: Reaxys:524762 {source="Reaxys"} is_a: CHEBI:23117 ! chlorine molecular entity is_a: CHEBI:25717 ! organotin compound relationship: has_functional_parent CHEBI:30537 ! triphenylstannane relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15ClSn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NJVOZLGKTAPUTQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "385.47000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "385.98843" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:35038 name: tris(2-butoxyethyl) phosphate namespace: chebi_ontology def: "A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl." [] subset: 3_STAR synonym: "Phosphoric acid, tri-(2-butoxyethyl) ester" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphoric acid, tris(2-butoxyethyl) ester" RELATED [ChemIDplus] synonym: "TBEP" RELATED [ChemIDplus] synonym: "Tri(2-butoxyethyl) phosphate" RELATED [ChemIDplus] synonym: "Tris(2-butoxyethyl) phosphate" EXACT [KEGG_COMPOUND] synonym: "tris(2-butoxyethyl) phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Tris(butoxyethyl)phosphate" RELATED [KEGG_COMPOUND] xref: Beilstein:1716010 {source="Beilstein"} xref: CAS:78-51-3 {source="ChemIDplus"} xref: CAS:78-51-3 {source="NIST Chemistry WebBook"} xref: CAS:78-51-3 {source="KEGG COMPOUND"} xref: KEGG:C14446 xref: PMID:24685621 {source="Europe PMC"} xref: PMID:24729049 {source="Europe PMC"} xref: Reaxys:1716010 {source="Reaxys"} is_a: CHEBI:37562 ! trialkyl phosphate relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:79314 ! flame retardant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H39O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTLBZVNBAKMVDP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "398.47182" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "398.24334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC" xsd:string [Term] id: CHEBI:350546 name: serotonin(1+) namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3." [] subset: 3_STAR synonym: "2-(5-hydroxy-1H-indol-3-yl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "serotonin" RELATED [UniProt] synonym: "serotonin cation" RELATED [ChEBI] is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:28790 ! serotonin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZAYGJVTTNCVMB-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.22250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.10224" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCc1c[nH]c2ccc(O)cc12" xsd:string [Term] id: CHEBI:35060 name: alpha-Methylstyrene namespace: chebi_ontology subset: 2_STAR synonym: "1-Methyl-1-phenylethylene" RELATED [KEGG_COMPOUND] synonym: "2-Phenylpropene" RELATED [KEGG_COMPOUND] synonym: "alpha-Methylstyrene" EXACT [KEGG_COMPOUND] xref: CAS:98-83-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0059899 xref: KEGG:C14395 is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XYLMUPLGERFSHI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)c1ccccc1" xsd:string [Term] id: CHEBI:35106 name: nitrogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen hydrides" RELATED [ChEBI] is_a: CHEBI:35881 ! pnictogen hydride is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35107 name: azane namespace: chebi_ontology def: "Saturated acyclic nitrogen hydrides having the general formula NnHn+2." [] subset: 3_STAR synonym: "azanes" RELATED [ChEBI] is_a: CHEBI:35106 ! nitrogen hydride [Term] id: CHEBI:35113 name: elemental mercury namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25196 ! mercury molecular entity [Term] id: CHEBI:35115 name: elemental manganese namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25154 ! manganese molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:35117 name: manganese coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "manganese coordination compounds" RELATED [ChEBI] synonym: "manganese coordination entities" RELATED [ChEBI] synonym: "manganese coordination entity" EXACT [ChEBI] is_a: CHEBI:25154 ! manganese molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35131 name: aldose phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aldose phosphates" RELATED [ChEBI] is_a: CHEBI:33447 ! phospho sugar [Term] id: CHEBI:35149 name: magnesium hydroxide namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, colour retention agent. subset: 3_STAR synonym: "magnesium hydroxides" RELATED [] xref: Codex:\:528 xref: Europe:\:528 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3139 is_a: CHEBI:190297 ! inorganic magnesium salt is_a: CHEBI:25108 ! magnesium molecular entity is_a: CHEBI:33989 ! alkaline earth hydroxide is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "magnesium hydroxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35150 name: calcium hydroxide namespace: chebi_ontology comment: LanguaL term definition: Food additive; technological purpose(s): acidity regulator, firming agent. subset: 3_STAR synonym: "calcium hydroxides" RELATED [ChEBI] xref: Codex:\:526 xref: Europe:\:526 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3042 is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:22985 ! calcium molecular entity is_a: CHEBI:33989 ! alkaline earth hydroxide is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "calcium hydroxide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35155 name: elemental calcium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22985 ! calcium molecular entity [Term] id: CHEBI:35156 name: calcium salt namespace: chebi_ontology subset: 3_STAR synonym: "calcium salts" RELATED [ChEBI] synonym: "Kalziumsalz" RELATED [ChEBI] synonym: "Kalziumsalze" RELATED [ChEBI] is_a: CHEBI:22985 ! calcium molecular entity is_a: CHEBI:36364 ! alkaline earth salt relationship: has_part CHEBI:29108 ! calcium(2+) property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35162 name: acyclic carotene is_a: CHEBI:23042 ! carotene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35163 name: cyclic carotene namespace: chebi_ontology subset: 3_STAR synonym: "cyclic carotene" EXACT [ChEBI] synonym: "cyclic carotenes" RELATED [ChEBI] is_a: CHEBI:23042 ! carotene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35166 name: vanadium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "vanadium coordination compounds" RELATED [ChEBI] synonym: "vanadium coordination entities" RELATED [ChEBI] synonym: "vanadium coordination entity" EXACT [ChEBI] is_a: CHEBI:27275 ! vanadium molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35168 name: hydrogenvanadate namespace: chebi_ontology def: "A divalent inorganic anion obtained by removal of two protons from vanadic acid." [] subset: 3_STAR synonym: "[V(OH)O3](2-)" RELATED [MolBase] synonym: "[VO3(OH)](2-)" RELATED [IUPAC] synonym: "HVO4(2-)" RELATED [IUPAC] synonym: "hydrogen vanadate(V)" RELATED [ChEBI] synonym: "hydrogen(tetraoxidovanadate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidovanadate(2-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:2108 {source="Gmelin"} xref: MolBase:50 is_a: CHEBI:30528 ! vanadium oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:46442 ! vanadate(3-) relationship: is_conjugate_base_of CHEBI:35169 ! dihydrogenvanadate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O.3O.V/h1H2;;;;/q;;2*-1;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFDNVQLJBWZOME-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.94704" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.93254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[V]([O-])([O-])=O" xsd:string [Term] id: CHEBI:35169 name: dihydrogenvanadate namespace: chebi_ontology def: "A monovalent inorganic anion that consists of vanadic acid where one of the three OH groups has been deprotonated." [] subset: 3_STAR synonym: "[V(OH)2O2](-)" RELATED [MolBase] synonym: "[VO2(OH)2](-)" RELATED [IUPAC] synonym: "dihydrogen(tetraoxidovanadate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidovanadate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2VO4(-)" RELATED [IUPAC] synonym: "vanadate" RELATED [UniProt] xref: Gmelin:2109 {source="Gmelin"} xref: MolBase:53 is_a: CHEBI:30528 ! vanadium oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: has_role CHEBI:23357 ! cofactor relationship: is_conjugate_acid_of CHEBI:35168 ! hydrogenvanadate relationship: is_conjugate_base_of CHEBI:27273 ! vanadic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2H2O.2O.V/h2*1H2;;;/q;;;-1;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GFEYTWVSRDLPLE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.95498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.93981" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[V]([O-])(=O)O[H]" xsd:string [Term] id: CHEBI:35174 name: vanadium oxide namespace: chebi_ontology subset: 3_STAR synonym: "vanadium oxides" RELATED [ChEBI] is_a: CHEBI:133331 ! metal oxide is_a: CHEBI:27275 ! vanadium molecular entity [Term] id: CHEBI:35175 name: sulfate salt is_a: CHEBI:24866 ! salt is_a: CHEBI:26820 ! sulfates property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35179 name: 2-oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:70795 def: "An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position." [] subset: 3_STAR synonym: "2-oxo monocarboxylate" RELATED [ChEBI] synonym: "2-oxo monocarboxylic acid anions" RELATED [ChEBI] synonym: "a 2-oxocarboxylate" RELATED [UniProt] xref: MetaCyc:2-Oxo-carboxylates {source="SUBMITTER"} xref: PMID:10850983 {source="SUBMITTER"} is_a: CHEBI:35902 ! oxo monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35910 ! 2-oxo monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.98474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C([*])=O" xsd:string [Term] id: CHEBI:35186 name: terpene namespace: chebi_ontology def: "A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]." [] subset: 3_STAR synonym: "Terpen" RELATED [ChEBI] synonym: "terpene" EXACT [IUPAC] synonym: "terpenes" EXACT IUPAC_NAME [IUPAC] synonym: "terpenes" RELATED [IUPAC] synonym: "terpeno" RELATED [IUPAC] synonym: "terpenos" RELATED [IUPAC] is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:24913 ! isoprenoid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35187 name: monoterpene namespace: chebi_ontology def: "A C10 terpene." [] subset: 3_STAR synonym: "Monoterpen" RELATED [ChEBI] synonym: "monoterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "monoterpenes" RELATED [IUPAC] synonym: "monoterpeno" RELATED [IUPAC] synonym: "monoterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35188 name: hemiterpene namespace: chebi_ontology def: "A C5 terpene." [] subset: 3_STAR synonym: "Hemiterpen" RELATED [ChEBI] synonym: "hemiterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "hemiterpenes" RELATED [IUPAC] synonym: "hemiterpeno" RELATED [IUPAC] synonym: "hemiterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35189 name: sesquiterpene namespace: chebi_ontology def: "A C15 terpene." [] subset: 3_STAR synonym: "Sesquiterpen" RELATED [ChEBI] synonym: "sesquiterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "sesquiterpenes" RELATED [IUPAC] synonym: "sesquiterpeno" RELATED [IUPAC] synonym: "sesquiterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35190 name: diterpene namespace: chebi_ontology def: "A C20 terpene." [] subset: 3_STAR synonym: "Diterpen" RELATED [ChEBI] synonym: "diterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "diterpenes" RELATED [IUPAC] synonym: "diterpeno" RELATED [IUPAC] synonym: "diterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35191 name: triterpene namespace: chebi_ontology def: "A C30 terpene." [] subset: 3_STAR synonym: "Triterpen" RELATED [ChEBI] synonym: "triterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "triterpenes" RELATED [IUPAC] synonym: "triterpeno" RELATED [IUPAC] synonym: "triterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:35193 name: tetraterpene namespace: chebi_ontology def: "A C40 terpene." [] subset: 3_STAR synonym: "tetraterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "tetraterpenes" RELATED [IUPAC] synonym: "tetraterpeno" RELATED [IUPAC] synonym: "tetraterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35194 name: isoprene namespace: chebi_ontology def: "A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds." [] subset: 3_STAR synonym: "2-Methyl-1,3-butadiene" RELATED [KEGG_COMPOUND] synonym: "2-methyl-1,3-butadiene" RELATED [ChemIDplus] synonym: "2-methylbuta-1,3-diene" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylbutadiene" RELATED [NIST_Chemistry_WebBook] synonym: "2-methyldivinyl" RELATED [ChemIDplus] synonym: "beta-methylbivinyl" RELATED [NIST_Chemistry_WebBook] synonym: "CH2=C(CH3)CH=CH2" RELATED [IUPAC] synonym: "isopentadiene" RELATED [NIST_Chemistry_WebBook] synonym: "Isopren" RELATED [ChEBI] synonym: "isoprene" EXACT [UniProt] synonym: "isoprene" EXACT [IUPAC] synonym: "isopreno" RELATED [IUPAC] synonym: "isoterpene" RELATED [ChEBI] xref: Beilstein:969158 {source="Beilstein"} xref: CAS:78-79-5 {source="KEGG COMPOUND"} xref: CAS:78-79-5 {source="ChemIDplus"} xref: CAS:78-79-5 {source="NIST Chemistry WebBook"} xref: Gmelin:1768 {source="Gmelin"} xref: KEGG:C16521 xref: MetaCyc:CPD-9436 xref: PMID:17921528 {source="Europe PMC"} xref: PMID:19011917 {source="Europe PMC"} xref: PMID:8690002 {source="Europe PMC"} xref: Reaxys:969158 {source="Reaxys"} xref: Wikipedia:Isoprene is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:33646 ! alkadiene is_a: CHEBI:35188 ! hemiterpene relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRHGJUQNOFWUDK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.11702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)C=C" xsd:string [Term] id: CHEBI:35195 name: surfactant namespace: chebi_ontology def: "A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces." [] subset: 3_STAR synonym: "surface active agent" RELATED [IUPAC] synonym: "surfactant" EXACT IUPAC_NAME [IUPAC] synonym: "surfactants" RELATED [ChEBI] is_a: CHEBI:63046 ! emulsifier [Term] id: CHEBI:35196 name: nitrogen oxide namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen oxides" RELATED [ChEBI] synonym: "oxides of nitrogen" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35202 name: molybdenum coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum coordination compounds" RELATED [ChEBI] synonym: "molybdenum coordination entities" RELATED [ChEBI] is_a: CHEBI:25370 ! molybdenum molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35204 name: tracer namespace: chebi_ontology def: "A role played by a foreign substance mixed with or attached to a given substance to enable the distribution or location of the latter to be determined subsequently." [] subset: 3_STAR synonym: "tracer" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33232 ! application relationship: has_part CHEBI:35209 ! label [Term] id: CHEBI:35208 name: physical tracer namespace: chebi_ontology def: "A physical tracer is one that is attached by physical means to the object being traced." [] subset: 3_STAR synonym: "physical tracer" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35204 ! tracer [Term] id: CHEBI:35209 name: label namespace: chebi_ontology def: "A role played by a part of a molecular entity distinguishable by the observer but not by the system and used to identify a tracer." [] subset: 3_STAR synonym: "label" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33232 ! application [Term] id: CHEBI:35219 name: plant growth retardant namespace: chebi_ontology alt_id: CHEBI:26154 alt_id: CHEBI:26156 subset: 3_STAR synonym: "plant growth inhibitor" RELATED [ChEBI] synonym: "plant growth inhibitors" RELATED [ChEBI] synonym: "plant growth retardants" RELATED [ChEBI] is_a: CHEBI:26155 ! plant growth regulator [Term] id: CHEBI:35221 name: antimetabolite namespace: chebi_ontology def: "A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization." [] subset: 3_STAR synonym: "antimetabolite" EXACT IUPAC_NAME [IUPAC] synonym: "antimetabolites" RELATED [ChEBI] xref: Wikipedia:Antimetabolite is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:35222 name: inhibitor namespace: chebi_ontology def: "A substance that diminishes the rate of a chemical reaction." [] subset: 3_STAR synonym: "inhibidor" RELATED [ChEBI] synonym: "inhibiteur" RELATED [ChEBI] synonym: "inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "inhibitors" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:35223 name: catalyst namespace: chebi_ontology def: "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction." [] subset: 3_STAR synonym: "catalizador" RELATED [ChEBI] synonym: "catalyseur" RELATED [ChEBI] synonym: "catalyst" EXACT IUPAC_NAME [IUPAC] synonym: "Katalysator" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:35224 name: effector namespace: chebi_ontology def: "A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site)." [] subset: 3_STAR synonym: "effector" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme modulator" RELATED [ChEBI] xref: Wikipedia:Effector_(biology) is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:35227 name: 4-nitrotoluene namespace: chebi_ontology alt_id: CHEBI:20461 alt_id: CHEBI:33097 alt_id: CHEBI:34431 def: "A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position." [] subset: 3_STAR synonym: "1-Methyl-4-nitrobenzene" RELATED [KEGG_COMPOUND] synonym: "1-methyl-4-nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "4-methylnitrobenzene" RELATED [ChemIDplus] synonym: "4-Nitrotoluene" EXACT [KEGG_COMPOUND] synonym: "4-nitrotoluene" EXACT [UniProt] synonym: "4-Nitrotoluol" RELATED [ChemIDplus] synonym: "p-methylnitrobenzene" RELATED [ChemIDplus] synonym: "p-nitrotoluene" RELATED [ChemIDplus] synonym: "para-Nitrotoluol" RELATED [ChemIDplus] synonym: "PNT" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1906911 {source="Beilstein"} xref: CAS:99-99-0 {source="KEGG COMPOUND"} xref: CAS:99-99-0 {source="NIST Chemistry WebBook"} xref: CAS:99-99-0 {source="ChemIDplus"} xref: Gmelin:26926 {source="Gmelin"} xref: KEGG:C14394 xref: PMID:21895789 {source="Europe PMC"} xref: PMID:23389716 {source="Europe PMC"} xref: PMID:9139924 {source="Europe PMC"} xref: Reaxys:1906911 {source="Reaxys"} is_a: CHEBI:63171 ! mononitrotoluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZPTVNYMJQHSSEA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.13600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:35230 name: fossil fuel namespace: chebi_ontology def: "A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth." [] subset: 3_STAR synonym: "fossil fuel" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33292 ! fuel [Term] id: CHEBI:35235 name: L-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2R)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cysteine" RELATED [UniProt] synonym: "L-cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:49993 {source="Gmelin"} is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32442 ! L-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32445 ! L-cysteinium relationship: is_enantiomer_of CHEBI:35236 ! D-cysteine zwitterion relationship: is_tautomer_of CHEBI:17561 ! L-cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:35236 name: D-cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "(2S)-2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-cysteine" RELATED [UniProt] synonym: "D-cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:2352354 {source="Gmelin"} is_a: CHEBI:35237 ! cysteine zwitterion relationship: is_conjugate_acid_of CHEBI:32449 ! D-cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32451 ! D-cysteinium relationship: is_enantiomer_of CHEBI:35235 ! L-cysteine zwitterion relationship: is_tautomer_of CHEBI:16375 ! D-cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CS)C([O-])=O" xsd:string [Term] id: CHEBI:35237 name: cysteine zwitterion namespace: chebi_ontology subset: 3_STAR synonym: "(+)H3N-CH(CH2SH)-COO(-)" RELATED [ChEBI] synonym: "2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] synonym: "2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine zwitterion" EXACT [IUPAC] xref: Gmelin:49992 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:15356 ! cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C([O-])=O" xsd:string [Term] id: CHEBI:35238 name: amino acid zwitterion namespace: chebi_ontology def: "The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group." [] subset: 3_STAR synonym: "amino acid zwitterion" EXACT [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35255 name: chloroform namespace: chebi_ontology alt_id: CHEBI:23143 alt_id: CHEBI:34628 def: "A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines." [] subset: 3_STAR synonym: "1,1,1-trichloromethane" RELATED [ChemIDplus] synonym: "CHCl3" RELATED [IUPAC] synonym: "Chloroform" EXACT [KEGG_COMPOUND] synonym: "chloroform" EXACT IUPAC_NAME [IUPAC] synonym: "chloroforme" RELATED [ChemIDplus] synonym: "chloroformium pro narcosi" RELATED [ChEBI] synonym: "Trichlormethan" RELATED [NIST_Chemistry_WebBook] synonym: "trichloromethane" RELATED [ChEBI] synonym: "trichloromethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1731042 {source="ChemIDplus"} xref: CAS:67-66-3 {source="KEGG COMPOUND"} xref: CAS:67-66-3 {source="ChemIDplus"} xref: CAS:67-66-3 {source="NIST Chemistry WebBook"} xref: Drug_Central:4363 {source="DrugCentral"} xref: Gmelin:1837 {source="Gmelin"} xref: HMDB:HMDB0029596 xref: KEGG:C13827 xref: LINCS:LSM-37229 xref: MetaCyc:CPD-843 xref: PDBeChem:MCH xref: PMID:10379014 {source="Europe PMC"} xref: PMID:15583552 {source="Europe PMC"} xref: PMID:20051454 {source="Europe PMC"} xref: PMID:21850127 {source="Europe PMC"} xref: PMID:23093177 {source="Europe PMC"} xref: PMID:8476536 {source="Europe PMC"} xref: PMID:8625290 {source="Europe PMC"} xref: Reaxys:1731042 {source="Reaxys"} xref: UM-BBD_compID:c0595 {source="UM-BBD"} xref: Wikipedia:Chloroform is_a: CHEBI:23148 ! chloromethanes relationship: has_role CHEBI:35470 ! central nervous system drug relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHCl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHCl3/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEDRZPFGACZZDS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.37674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.91438" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:35259 name: benzofurans namespace: chebi_ontology alt_id: CHEBI:22721 subset: 3_STAR is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:35267 name: quaternary ammonium ion namespace: chebi_ontology alt_id: CHEBI:26470 alt_id: CHEBI:8693 def: "A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups." [] subset: 3_STAR synonym: "a quaternary ammonium" RELATED [UniProt] synonym: "Quaternary amine" RELATED [KEGG_COMPOUND] synonym: "quaternary ammonium" RELATED [UniProt] synonym: "quaternary ammonium ion" EXACT IUPAC_NAME [IUPAC] synonym: "quaternary ammonium ions" RELATED [ChEBI] xref: KEGG:C06703 is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*][N+]([*])([*])[*]" xsd:string [Term] id: CHEBI:35273 name: quaternary ammonium salt namespace: chebi_ontology alt_id: CHEBI:26468 alt_id: CHEBI:35268 def: "Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups." [] subset: 3_STAR synonym: "quaternary ammonium compound" RELATED [ChEBI] synonym: "quaternary ammonium compounds" EXACT IUPAC_NAME [IUPAC] synonym: "quaternary ammonium salt" EXACT [ChEBI] synonym: "quaternary ammonium salts" RELATED [ChEBI] is_a: CHEBI:26469 ! quaternary nitrogen compound is_a: CHEBI:46850 ! organoammonium salt [Term] id: CHEBI:35274 name: ammonium ion derivative namespace: chebi_ontology def: "A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc)." [] subset: 3_STAR synonym: "ammonium ion derivatives" RELATED [ChEBI] synonym: "ammonium ions" RELATED [ChEBI] synonym: "azanium ion derivative" RELATED [ChEBI] synonym: "azanium ion derivatives" RELATED [ChEBI] synonym: "azanium ions" RELATED [ChEBI] is_a: CHEBI:33702 ! polyatomic cation is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_parent_hydride CHEBI:28938 ! ammonium property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35275 name: S-glycosyl compound namespace: chebi_ontology alt_id: CHEBI:22048 alt_id: CHEBI:33577 def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond." [] subset: 3_STAR synonym: "S-glycoside" RELATED [ChEBI] synonym: "S-glycosides" RELATED [ChEBI] synonym: "S-glycosyl compound" EXACT [ChEBI] synonym: "S-glycosyl compounds" RELATED [ChEBI] synonym: "thioglycoside" RELATED [JCBN] synonym: "thioglycosides" RELATED [JCBN] is_a: CHEBI:59793 ! monothioacetal is_a: CHEBI:63161 ! glycosyl compound is_a: CHEBI:73754 ! thiosugar [Term] id: CHEBI:35276 name: ammonium compound namespace: chebi_ontology def: "Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups." [] subset: 3_STAR synonym: "ammonium compounds" RELATED [ChEBI] synonym: "ammonium compounds" RELATED [IUPAC] synonym: "azanium compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:35274 ! ammonium ion derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35281 name: onium betaine namespace: chebi_ontology def: "Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "betaines" EXACT IUPAC_NAME [IUPAC] synonym: "onium betaines" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion [Term] id: CHEBI:35284 name: ammonium betaine namespace: chebi_ontology def: "Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom." [] subset: 3_STAR synonym: "ammonium betaines" RELATED [ChEBI] is_a: CHEBI:26469 ! quaternary nitrogen compound is_a: CHEBI:35281 ! onium betaine [Term] id: CHEBI:35286 name: iminium ion namespace: chebi_ontology def: "Cations of structure R2C=N(+)R2." [] subset: 3_STAR synonym: "iminium cations" RELATED [ChEBI] synonym: "iminium ion" EXACT [ChEBI] synonym: "iminium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation [Term] id: CHEBI:35287 name: acylcholine namespace: chebi_ontology alt_id: CHEBI:13245 alt_id: CHEBI:22227 alt_id: CHEBI:2463 def: "A choline ester formed from choline and a carboxylic acid." [] subset: 3_STAR synonym: "acylcholines" RELATED [ChEBI] synonym: "an acylcholine" RELATED [UniProt] xref: KEGG:C01777 is_a: CHEBI:35267 ! quaternary ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.17290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCOC([*])=O" xsd:string [Term] id: CHEBI:35290 name: 1,2-dichlorobenzene namespace: chebi_ontology alt_id: CHEBI:32498 alt_id: CHEBI:34045 def: "A dichlorobenzene carrying chloro substituents at positions 1 and 2." [] subset: 3_STAR synonym: "1,2-dichlorbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dichlorobenzene" EXACT [KEGG_COMPOUND] synonym: "1,2-dichlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2-dichlorobenzene" RELATED [ChemIDplus] synonym: "o-dichlorbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "o-dichlorbenzol" RELATED [NIST_Chemistry_WebBook] synonym: "o-Dichlorobenzene" RELATED [KEGG_COMPOUND] synonym: "o-dichlorobenzol" RELATED [NIST_Chemistry_WebBook] synonym: "ODB" RELATED [NIST_Chemistry_WebBook] synonym: "ODCB" RELATED [NIST_Chemistry_WebBook] synonym: "ortho-dichlorobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "orthodichlorobenzol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:606078 {source="Beilstein"} xref: CAS:95-50-1 {source="NIST Chemistry WebBook"} xref: CAS:95-50-1 {source="ChemIDplus"} xref: CAS:95-50-1 {source="KEGG COMPOUND"} xref: Gmelin:82493 {source="Gmelin"} xref: KEGG:C14328 xref: MetaCyc:O-DICHLOROBENZENE xref: PDBeChem:YAN xref: PMID:10048141 {source="Europe PMC"} xref: PMID:10698672 {source="Europe PMC"} xref: PMID:14168435 {source="Europe PMC"} xref: PMID:15792297 {source="Europe PMC"} xref: PMID:22165224 {source="Europe PMC"} xref: Reaxys:606078 {source="Reaxys"} xref: Wikipedia:1\,2-Dichlorobenzene is_a: CHEBI:23697 ! dichlorobenzene relationship: has_role CHEBI:50908 ! hepatotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RFFLAFLAYFXFSW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.00136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1Cl" xsd:string [Term] id: CHEBI:35291 name: all-trans-retinoate namespace: chebi_ontology alt_id: CHEBI:26535 def: "A retinoate that is the conjugate base of all-trans-retinoic acid." [] subset: 3_STAR synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate" EXACT IUPAC_NAME [IUPAC] synonym: "all-trans-Retinoate" EXACT [KEGG_COMPOUND] synonym: "all-trans-retinoate" EXACT [UniProt] synonym: "Retinoate" RELATED [KEGG_COMPOUND] xref: MetaCyc:RETINOATE is_a: CHEBI:15036 ! retinoate relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15367 ! all-trans-retinoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-YCNIQYBTSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.42718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.20165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O" xsd:string [Term] id: CHEBI:35293 name: fused compound namespace: chebi_ontology subset: 3_STAR synonym: "fused compounds" RELATED [ChEBI] synonym: "fused polycyclic compounds" RELATED [ChEBI] synonym: "fused-ring polycyclic compound" RELATED [ChEBI] synonym: "fused-ring polycyclic compounds" RELATED [ChEBI] synonym: "polycyclic fused-ring compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35294 name: carbopolycyclic compound namespace: chebi_ontology def: "A polyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33598 ! carbocyclic compound is_a: CHEBI:35295 ! homopolycyclic compound [Term] id: CHEBI:35295 name: homopolycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "homopolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:35296 name: ortho-fused polycyclic arene namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic arenes" RELATED [ChEBI] is_a: CHEBI:33848 ! polycyclic arene is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon [Term] id: CHEBI:35297 name: acene namespace: chebi_ontology def: "A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement." [] subset: 3_STAR synonym: "Acen" RELATED [ChEBI] synonym: "acene" EXACT [IUPAC] synonym: "acenes" EXACT IUPAC_NAME [IUPAC] synonym: "Azen" RELATED [ChEBI] synonym: "polyacenes" RELATED [ChEBI] xref: Wikipedia:Acene is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:51269 ! acenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8.(C4H2)n" xsd:string [Term] id: CHEBI:35298 name: anthracene namespace: chebi_ontology alt_id: CHEBI:29862 alt_id: CHEBI:34538 alt_id: CHEBI:40737 def: "An ortho-fused tricyclic hydrocarbon comprising three fused benzene rings." [] subset: 3_STAR synonym: "ANTHRACENE" EXACT [PDBeChem] synonym: "Anthracene" EXACT [KEGG_COMPOUND] synonym: "anthracene" EXACT IUPAC_NAME [IUPAC] synonym: "Anthrazen" RELATED [ChEBI] xref: Beilstein:1905429 {source="Beilstein"} xref: CAS:120-12-7 {source="ChemIDplus"} xref: CAS:120-12-7 {source="NIST Chemistry WebBook"} xref: CAS:120-12-7 {source="KEGG COMPOUND"} xref: DrugBank:DB07372 xref: Gmelin:67837 {source="Gmelin"} xref: KEGG:C14315 xref: PDBeChem:AN3 xref: PMID:17257678 {source="Europe PMC"} xref: PMID:18565569 {source="Europe PMC"} xref: PMID:19162536 {source="Europe PMC"} xref: PMID:7561049 {source="Europe PMC"} xref: PPDB:40 xref: Reaxys:1905429 {source="Reaxys"} xref: Wikipedia:Anthracene is_a: CHEBI:35297 ! acene is_a: CHEBI:37089 ! ortho-fused tricyclic hydrocarbon is_a: CHEBI:46955 ! anthracenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWPLVEDNUUSJAV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.22920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2cc3ccccc3cc2c1" xsd:string [Term] id: CHEBI:35300 name: ortho- and peri-fused polycyclic arene namespace: chebi_ontology subset: 3_STAR synonym: "ortho- and peri-fused polycyclic arenes" RELATED [ChEBI] is_a: CHEBI:33639 ! ortho- and peri-fused compound is_a: CHEBI:33848 ! polycyclic arene [Term] id: CHEBI:35312 name: pentoside namespace: chebi_ontology subset: 3_STAR synonym: "pentoside" EXACT [ChEBI] synonym: "pentosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:35313 name: hexoside namespace: chebi_ontology subset: 3_STAR synonym: "hexoside" EXACT [ChEBI] synonym: "hexosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35315 name: deoxy hexoside namespace: chebi_ontology subset: 3_STAR synonym: "deoxy hexoside" EXACT [ChEBI] synonym: "deoxy hexosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:35324 name: hydrazinium(1+) namespace: chebi_ontology subset: 3_STAR synonym: "diazanium" EXACT IUPAC_NAME [IUPAC] synonym: "H2NNH3(+)" RELATED [IUPAC] synonym: "hydrazinium" EXACT IUPAC_NAME [IUPAC] synonym: "N2H5(+)" RELATED [IUPAC] xref: Gmelin:183 {source="Gmelin"} is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:15571 ! hydrazine relationship: is_conjugate_base_of CHEBI:35325 ! hydrazinium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H5N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4N2/c1-2/h1-2H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAKJQQAXSVQMHS-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.05318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "33.04472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[NH3+]" xsd:string [Term] id: CHEBI:35325 name: hydrazinium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "diazanediium" EXACT IUPAC_NAME [IUPAC] synonym: "H3NNH3(2+)" RELATED [IUPAC] synonym: "hydrazinediium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:186 {source="Gmelin"} is_a: CHEBI:35106 ! nitrogen hydride relationship: is_conjugate_acid_of CHEBI:35324 ! hydrazinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H6N2/c1-2/h1-2H3/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIDREYHESYMPRP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "34.06112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.05200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][NH3+]" xsd:string [Term] id: CHEBI:35337 name: central nervous system stimulant namespace: chebi_ontology def: "Any drug that enhances the activity of the central nervous system." [] subset: 3_STAR synonym: "analeptic" RELATED [ChEBI] synonym: "analeptic agent" RELATED [ChEBI] synonym: "analeptic drug" RELATED [ChEBI] synonym: "analeptics" RELATED [ChEBI] synonym: "central nervous system stimulant" EXACT [ChEBI] synonym: "central stimulant" RELATED [ChEBI] synonym: "CNS stimulant" RELATED [ChEBI] xref: Wikipedia:Central_nervous_system_stimulants is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35338 name: amphetamines namespace: chebi_ontology def: "Amines that constitute a class of central nervous system stimulants based on the structure of the parent amphetamine 1-phenylpropan-2-amine." [] subset: 3_STAR synonym: "amphetamine drug" RELATED [ChEBI] is_a: CHEBI:32952 ! amine relationship: has_role CHEBI:35337 ! central nervous system stimulant [Term] id: CHEBI:35340 name: methamphetamine hydrochloride namespace: chebi_ontology def: "A hydrochloride having methamphetamine as the base component." [] subset: 3_STAR synonym: "(+)-methamphetamine hydrochloride" RELATED [ChEBI] synonym: "(+)-N,alpha-dimethylphenethylamine hydrochloride" RELATED [ChemIDplus] synonym: "(2S)-N-methyl-1-phenylpropan-2-amine hydrochloride" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-methamphetamine hydrochloride" RELATED [ChEBI] synonym: "d-methaphetamine hydrochloride" RELATED [ChemIDplus] synonym: "methamphetamine hydrochloride" EXACT [ChemIDplus] synonym: "methamphetamine hydrogen chloride" RELATED [ChEBI] synonym: "methamphetaminium chloride" RELATED [ChemIDplus] xref: Beilstein:5125268 {source="Beilstein"} xref: CAS:51-57-0 {source="ChemIDplus"} xref: Reaxys:5125268 {source="Reaxys"} is_a: CHEBI:36807 ! hydrochloride relationship: has_part CHEBI:132297 ! methamphetamine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16ClN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWXDDNPPQUTEOV-FVGYRXGTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "185.69400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.09713" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl.CN[C@@H](C)Cc1ccccc1" xsd:string [Term] id: CHEBI:35341 name: steroid namespace: chebi_ontology alt_id: CHEBI:13687 alt_id: CHEBI:26768 alt_id: CHEBI:9263 def: "Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene." [] subset: 3_STAR synonym: "a steroid" RELATED [UniProt] synonym: "Steroid" EXACT [KEGG_COMPOUND] synonym: "steroids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00377 xref: MetaCyc:Steroids is_a: CHEBI:18059 ! lipid is_a: CHEBI:51958 ! organic polycyclic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "259.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.24258" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35342 name: 17alpha-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:13585 alt_id: CHEBI:19174 alt_id: CHEBI:782 def: "The alpha-stereoisomer of 17-hydroxy steroid." [] subset: 3_STAR synonym: "17-alpha-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "17alpha-hydroxy steroids" RELATED [ChEBI] xref: KEGG:C03336 is_a: CHEBI:36838 ! 17-hydroxy steroid [Term] id: CHEBI:35343 name: 17beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:19176 alt_id: CHEBI:794 def: "A 17-hydroxy steroid in which the hydroxy group at position 17 has a beta-configuration." [] subset: 3_STAR synonym: "17beta-hydroxy steroids" RELATED [ChEBI] synonym: "17beta-hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "17beta-hydroxysteroids" RELATED [ChEBI] synonym: "a 17beta-hydroxy steroid" RELATED [UniProt] xref: KEGG:C03051 xref: MetaCyc:17-beta-Hydroxysteroids is_a: CHEBI:36838 ! 17-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H29OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.423" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.22184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC12CCC3C(CCC4CCCCC34[*])C1CC[C@@H]2O" xsd:string [Term] id: CHEBI:35344 name: 21-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:1300 alt_id: CHEBI:13596 alt_id: CHEBI:19803 subset: 3_STAR synonym: "21-hydroxy steroids" RELATED [ChEBI] synonym: "21-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "21-hydroxysteroids" RELATED [ChEBI] xref: KEGG:C02506 is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:35346 name: 11beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:13774 alt_id: CHEBI:19134 alt_id: CHEBI:738 def: "Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration." [] subset: 3_STAR synonym: "11beta-hydroxy steroids" RELATED [ChEBI] synonym: "11beta-Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "11beta-hydroxysteroids" RELATED [ChEBI] synonym: "an 11beta-hydroxysteroid" RELATED [UniProt] xref: KEGG:C01058 is_a: CHEBI:36841 ! 11-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12(CCCCC1CCC3C2[C@H](CC4(C3CCC4*)C)O)C" xsd:string [Term] id: CHEBI:35348 name: 3beta-sterol namespace: chebi_ontology alt_id: CHEBI:13609 alt_id: CHEBI:1725 alt_id: CHEBI:1726 alt_id: CHEBI:20248 def: "A sterol in which the hydroxy group at position 3 has beta- configuration." [] subset: 3_STAR synonym: "3beta-hydroxysteroids" RELATED [ChEBI] synonym: "3beta-sterols" RELATED [ChEBI] is_a: CHEBI:15889 ! sterol is_a: CHEBI:36836 ! 3beta-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:35350 name: hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:24748 alt_id: CHEBI:5814 subset: 3_STAR synonym: "hydroxy steroids" RELATED [ChEBI] synonym: "Hydroxysteroid" RELATED [KEGG_COMPOUND] synonym: "hydroxysteroids" RELATED [ChEBI] xref: KEGG:C02159 is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:35341 ! steroid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35352 name: organonitrogen compound namespace: chebi_ontology def: "Any heteroorganic entity containing at least one carbon-nitrogen bond." [] subset: 3_STAR synonym: "organonitrogen compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organonitrogens" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:51143 ! nitrogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35356 name: dicarboximide namespace: chebi_ontology def: "An imide in which the two acyl substituents on nitrogen are carboacyl groups." [] subset: 3_STAR synonym: "dicarboximides" RELATED [ChEBI] is_a: CHEBI:24782 ! imide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2NO2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "70.027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.99290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N(C([*])=O)C([*])=O" xsd:string [Term] id: CHEBI:35358 name: sulfonamide namespace: chebi_ontology def: "An amide of a sulfonic acid RS(=O)2NR'2." [] subset: 3_STAR synonym: "sulfonamides" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonamides" RELATED [ChEBI] xref: PMID:11498380 {source="Europe PMC"} xref: PMID:2434548 {source="Europe PMC"} xref: PMID:26811268 {source="Europe PMC"} xref: PMID:26832216 {source="Europe PMC"} xref: Wikipedia:Sulfonamide is_a: CHEBI:33256 ! primary amide is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33552 ! sulfonic acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2SR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.07100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.96497" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)N([*])[*]" xsd:string [Term] id: CHEBI:35359 name: carboxamidine namespace: chebi_ontology def: "Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom." [] subset: 3_STAR synonym: "Amidines" RELATED [KEGG_COMPOUND] synonym: "carboxamidines" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamidines" RELATED [ChEBI] xref: KEGG:C06060 is_a: CHEBI:2634 ! amidine is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:35362 name: hydrazide namespace: chebi_ontology def: "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC)." [] subset: 3_STAR synonym: "hydrazides" EXACT IUPAC_NAME [IUPAC] synonym: "hydrazides" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:35363 name: carbohydrazide namespace: chebi_ontology def: "A hydrazide consisting of hydrazine carrying one or more carboacyl groups." [] subset: 3_STAR synonym: "carbohydrazides" EXACT IUPAC_NAME [IUPAC] synonym: "carbohydrazides" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:35362 ! hydrazide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN2OR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "56.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.00106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(C(*)=O)(N(*)*)*" xsd:string [Term] id: CHEBI:35366 name: fatty acid namespace: chebi_ontology alt_id: CHEBI:13633 alt_id: CHEBI:24024 alt_id: CHEBI:4984 def: "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids." [] comment: LanguaL term definition: Food additive; technological purpose(s): antifoaming agent. foam stabilizer, glazing agent. subset: 3_STAR synonym: "acide gras" RELATED [ChEBI] synonym: "acides gras" RELATED [ChemIDplus] synonym: "acido graso" RELATED [ChEBI] synonym: "acidos grasos" RELATED [ChEBI] synonym: "Fatty acid" EXACT [KEGG_COMPOUND] synonym: "fatty acids" EXACT IUPAC_NAME [IUPAC] synonym: "fatty acids" RELATED [ChEBI] synonym: "Fettsaeure" RELATED [ChEBI] synonym: "Fettsaeuren" RELATED [ChEBI] xref: Codex:\:570 xref: Europe:\:570 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3098 xref: KEGG:C00162 xref: PMID:14287444 {source="Europe PMC"} xref: PMID:14300208 {source="Europe PMC"} xref: PMID:14328676 {source="Europe PMC"} xref: Wikipedia:Fatty_acid is_a: CHEBI:18059 ! lipid is_a: CHEBI:25384 ! monocarboxylic acid is_a: FOODON:03412972 ! food additive relationship: is_conjugate_acid_of CHEBI:28868 ! fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string property_value: IAO:0000118 "fatty acids" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35367 name: thiocarboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "thiocarboxylates" RELATED [ChEBI] synonym: "thiocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:35381 name: monosaccharide namespace: chebi_ontology alt_id: CHEBI:25407 alt_id: CHEBI:6984 def: "Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group." [] subset: 3_STAR synonym: "monosacarido" RELATED [ChEBI] synonym: "monosacaridos" RELATED [IUPAC] synonym: "Monosaccharid" RELATED [ChEBI] synonym: "Monosaccharide" EXACT [KEGG_COMPOUND] synonym: "monosaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Monosacharid" RELATED [ChEBI] xref: KEGG:C06698 is_a: CHEBI:16646 ! carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35401 name: chromium oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "chromium oxoacid" EXACT [ChEBI] synonym: "chromium oxoacids" RELATED [ChEBI] synonym: "oxoacids of chromium" RELATED [ChEBI] is_a: CHEBI:35403 ! chromium coordination entity is_a: CHEBI:36265 ! transition element oxoacid [Term] id: CHEBI:35402 name: chromium oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "chromium oxoanion" EXACT [ChEBI] synonym: "chromium oxoanions" RELATED [ChEBI] synonym: "oxoanions of chromium" RELATED [ChEBI] is_a: CHEBI:35403 ! chromium coordination entity is_a: CHEBI:35405 ! transition element oxoanion [Term] id: CHEBI:35403 name: chromium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "chromium coordination compounds" RELATED [ChEBI] synonym: "chromium coordination entities" RELATED [ChEBI] is_a: CHEBI:23237 ! chromium molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:35404 name: chromate(2-) namespace: chebi_ontology alt_id: CHEBI:23231 alt_id: CHEBI:29393 def: "A chromium oxoanion resulting from the removal of two protons from chromic acid." [] subset: 3_STAR synonym: "[CrO4](2-)" RELATED [MolBase] synonym: "chromate" EXACT IUPAC_NAME [IUPAC] synonym: "chromate" RELATED [UniProt] synonym: "chromate(VI)" RELATED [ChemIDplus] synonym: "CrO4(2-)" RELATED [IUPAC] synonym: "tetraoxidochromate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxidochromate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxochromate(2-)" RELATED [IUPAC] synonym: "tetraoxochromate(VI)" RELATED [IUPAC] xref: CAS:11104-59-9 {source="ChemIDplus"} xref: CAS:13907-45-4 {source="ChemIDplus"} xref: Gmelin:2047 {source="Gmelin"} xref: MetaCyc:CPD-4422 xref: MolBase:125 xref: PMID:21804974 {source="Europe PMC"} xref: PMID:22805940 {source="Europe PMC"} xref: PMID:23430150 {source="Europe PMC"} xref: UM-BBD_compID:c0803 {source="UM-BBD"} xref: Wikipedia:Chromate_and_dichromate is_a: CHEBI:35402 ! chromium oxoanion is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:63248 ! oxidising agent relationship: is_conjugate_base_of CHEBI:33144 ! hydrogenchromate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CrO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr.4O/q;;;2*-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCDOYSPFYFSLEW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.99370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.92126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][Cr]([O-])(=O)=O" xsd:string [Term] id: CHEBI:35405 name: transition element oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "transition element oxoanions" RELATED [ChEBI] synonym: "transition metal oxoanion" RELATED [ChEBI] synonym: "transition metal oxoanions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:35406 ! oxoanion [Term] id: CHEBI:35406 name: oxoanion namespace: chebi_ontology alt_id: CHEBI:33274 alt_id: CHEBI:33436 def: "An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen." [] subset: 3_STAR synonym: "oxoacid anions" RELATED [ChEBI] synonym: "oxoanion" EXACT [ChEBI] synonym: "oxoanions" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide is_a: CHEBI:33273 ! polyatomic anion [Term] id: CHEBI:35410 name: primary diamine namespace: chebi_ontology alt_id: CHEBI:26264 alt_id: CHEBI:8408 def: "A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups." [] subset: 3_STAR synonym: "Primary diamine" EXACT [KEGG_COMPOUND] synonym: "primary diamines" EXACT IUPAC_NAME [IUPAC] synonym: "primary diamines" RELATED [ChEBI] xref: KEGG:C02311 is_a: CHEBI:23666 ! diamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[*]N" xsd:string [Term] id: CHEBI:35411 name: alkane-alpha,omega-diamine namespace: chebi_ontology alt_id: CHEBI:10204 alt_id: CHEBI:13775 alt_id: CHEBI:13808 alt_id: CHEBI:22316 alt_id: CHEBI:2577 def: "A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc." [] subset: 3_STAR synonym: "Alkane-alpha,omega-diamine" EXACT [KEGG_COMPOUND] synonym: "alkane-alpha,omega-diamines" RELATED [ChEBI] synonym: "alpha,omega-Diamine" RELATED [KEGG_COMPOUND] xref: KEGG:C02896 xref: KEGG:C03687 is_a: CHEBI:35410 ! primary diamine is_a: CHEBI:46687 ! diazaalkane relationship: is_conjugate_base_of CHEBI:70977 ! alkane-alpha,omega-diammonium(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(CH2)n.C2H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N2(CH2)n" xsd:string [Term] id: CHEBI:35426 name: ortho-fused bicyclic arene namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused bicyclic arene" EXACT [ChEBI] synonym: "ortho-fused bicyclic arenes" RELATED [ChEBI] is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon [Term] id: CHEBI:35427 name: ortho-fused polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused polycyclic hydrocarbon" EXACT [ChEBI] synonym: "ortho-fused polycyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound [Term] id: CHEBI:35428 name: ortho-fused bicyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused bicyclic hydrocarbon" EXACT [ChEBI] synonym: "ortho-fused bicyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound is_a: CHEBI:36785 ! carbobicyclic compound [Term] id: CHEBI:35436 name: D-glucoside namespace: chebi_ontology alt_id: CHEBI:21009 alt_id: CHEBI:4173 def: "Any glucoside in which the glycoside group is derived from D-glucose." [] subset: 3_STAR synonym: "a D-glucoside" RELATED [UniProt] synonym: "D-Glucoside" EXACT [KEGG_COMPOUND] synonym: "D-glucosides" RELATED [ChEBI] xref: KEGG:C01798 is_a: CHEBI:24278 ! glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O6R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H]1(OC([C@H](O)[C@H]([C@@H]1O)O)O*)CO" xsd:string [Term] id: CHEBI:35438 name: nickel coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "nickel coordination compounds" RELATED [ChEBI] synonym: "nickel coordination entities" RELATED [ChEBI] synonym: "nickel coordination entity" EXACT [ChEBI] is_a: CHEBI:33748 ! nickel molecular entity [Term] id: CHEBI:35441 name: antiinfective agent namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of infectious diseases." [] subset: 3_STAR synonym: "anti-infective agents" RELATED [ChEBI] synonym: "anti-infective drugs" RELATED [ChEBI] synonym: "antiinfective agents" RELATED [ChEBI] synonym: "antiinfective drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35442 name: antiparasitic agent namespace: chebi_ontology def: "A substance used to treat or prevent parasitic infections." [] subset: 3_STAR synonym: "antiparasitic drugs" RELATED [ChEBI] synonym: "antiparasitics" RELATED [ChEBI] synonym: "parasiticides" RELATED [ChEBI] xref: Wikipedia:Antiparasitic is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:35443 name: anthelminthic drug namespace: chebi_ontology def: "Substance intended to kill parasitic worms (helminths)." [] subset: 3_STAR synonym: "anthelminthic" EXACT IUPAC_NAME [IUPAC] synonym: "anthelminthics" RELATED [ChEBI] synonym: "anthelmintic" RELATED [IUPAC] synonym: "anthelmintics" RELATED [ChEBI] synonym: "antihelminth" RELATED [ChEBI] synonym: "antihelmintico" RELATED [ChEBI] synonym: "vermifuge" RELATED [ChEBI] is_a: CHEBI:35442 ! antiparasitic agent [Term] id: CHEBI:35444 name: antinematodal drug namespace: chebi_ontology def: "A substance used in the treatment or control of nematode infestations." [] subset: 3_STAR synonym: "antinematodal agent" RELATED [ChEBI] synonym: "antinematodal drugs" RELATED [ChEBI] synonym: "antinematodals" RELATED [ChEBI] is_a: CHEBI:25491 ! nematicide is_a: CHEBI:35443 ! anthelminthic drug [Term] id: CHEBI:35445 name: 3,3',5,5'-tetrachlorobiphenyl namespace: chebi_ontology def: "A tetrachlorobiphenyl that is biphenyl in which both phenyl groups are substituted by chlorines at positions 3 and 5." [] subset: 3_STAR synonym: "1,1'-Biphenyl, 3,3',5,5'-tetrachloro-" RELATED [NIST_Chemistry_WebBook] synonym: "3,3',5,5'-tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',5,5'-tetrachlorobiphenyl" EXACT [ChemIDplus] synonym: "3,3',5,5'-tetrachlorodiphenyl" RELATED [ChemIDplus] synonym: "3,5,3',5'-tetrachlorobiphenyl" RELATED [ChemIDplus] xref: Beilstein:1964690 {source="Beilstein"} xref: CAS:33284-52-5 {source="ChemIDplus"} xref: CAS:33284-52-5 {source="NIST Chemistry WebBook"} is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UTMWFJSRHLYRPY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)cc(c1)-c1cc(Cl)cc(Cl)c1" xsd:string [Term] id: CHEBI:35446 name: chlorobiphenyl namespace: chebi_ontology def: "A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups." [] subset: 3_STAR synonym: "chlorobiphenyls" RELATED [ChEBI] is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:36686 ! chloroarene [Term] id: CHEBI:35457 name: EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor namespace: chebi_ontology def: "An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1)." [] subset: 3_STAR synonym: "ACE inhibitor" RELATED [ChEBI] synonym: "ACE inhibitors" RELATED [ChEBI] synonym: "angiotensin I-converting enzyme inhibitor" RELATED [ChEBI] synonym: "angiotensin I-converting enzyme inhibitors" RELATED [ChEBI] synonym: "angiotensin-converting enzyme inhibitor" RELATED [ChEBI] synonym: "angiotensin-converting enzyme inhibitors" RELATED [ChEBI] synonym: "carboxycathepsin inhibitor" RELATED [ChEBI] synonym: "carboxycathepsin inhibitors" RELATED [ChEBI] synonym: "DCP inhibitor" RELATED [ChEBI] synonym: "DCP inhibitors" RELATED [ChEBI] synonym: "dipeptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidase inhibitors" RELATED [ChEBI] synonym: "dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase I inhibitor" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase I inhibitors" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidyl carboxypeptidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.1 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.15.1 inhibitors" RELATED [ChEBI] synonym: "endothelial cell peptidyl dipeptidase inhibitor" RELATED [ChEBI] synonym: "endothelial cell peptidyl dipeptidase inhibitors" RELATED [ChEBI] synonym: "kininase II inhibitor" RELATED [ChEBI] synonym: "kininase II inhibitors" RELATED [ChEBI] synonym: "PDH inhibitor" RELATED [ChEBI] synonym: "PDH inhibitors" RELATED [ChEBI] synonym: "peptidase P inhibitor" RELATED [ChEBI] synonym: "peptidase P inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase A inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase A inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase I inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase I inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptidase-4 inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptidase-4 inhibitors" RELATED [ChEBI] synonym: "peptidyl dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyl dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A (EC 3.4.15.1) inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A (EC 3.4.15.1) inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase A inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "peptidyldipeptide hydrolase inhibitor" RELATED [ChEBI] synonym: "peptidyldipeptide hydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:ACE_inhibitor is_a: CHEBI:35674 ! antihypertensive agent is_a: CHEBI:76782 ! EC 3.4.15.* (peptidyl-dipeptidase) inhibitor [Term] id: CHEBI:35467 name: phosphorodiamide namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:17102 ! phosphoramide [Term] id: CHEBI:35468 name: triazene namespace: chebi_ontology subset: 3_STAR synonym: "1-triazene" RELATED [ChemIDplus] synonym: "triaz-1-ene" EXACT IUPAC_NAME [IUPAC] synonym: "triazene" EXACT [NIST_Chemistry_WebBook] xref: CAS:15056-34-5 {source="NIST Chemistry WebBook"} xref: CAS:15056-34-5 {source="ChemIDplus"} xref: Gmelin:49028 {source="Gmelin"} is_a: CHEBI:35106 ! nitrogen hydride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N3/c1-3-2/h(H3,1,2)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AYNNSCRYTDRFCP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.04404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NN=N" xsd:string [Term] id: CHEBI:35469 name: antidepressant namespace: chebi_ontology def: "Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions." [] subset: 3_STAR synonym: "antidepressant drugs" RELATED [ChEBI] synonym: "antidepressants" RELATED [ChEBI] synonym: "thymoanaleptics" RELATED [ChEBI] synonym: "thymoleptic drugs" RELATED [ChEBI] synonym: "thymoleptics" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug [Term] id: CHEBI:35470 name: central nervous system drug namespace: chebi_ontology def: "A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system." [] subset: 3_STAR synonym: "central nervous system agents" RELATED [ChEBI] synonym: "CNS agent" RELATED [ChEBI] synonym: "CNS drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35471 name: psychotropic drug namespace: chebi_ontology def: "A loosely defined grouping of drugs that have effects on psychological function." [] subset: 3_STAR synonym: "psychoactive agent" RELATED [ChEBI] synonym: "psychoactive drugs" RELATED [ChEBI] synonym: "psychopharmaceuticals" RELATED [ChEBI] synonym: "psychotropic drugs" RELATED [ChEBI] xref: Wikipedia:Psychotropic_drug is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35472 name: anti-inflammatory drug namespace: chebi_ontology def: "A substance that reduces or suppresses inflammation." [] subset: 3_STAR synonym: "anti-inflammatory drugs" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory drug" RELATED [ChEBI] synonym: "antiinflammatory drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:67079 ! anti-inflammatory agent [Term] id: CHEBI:35473 name: tranquilizing drug namespace: chebi_ontology def: "A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour." [] subset: 3_STAR synonym: "ataractics" RELATED [ChEBI] synonym: "tranquilising drug" RELATED [ChEBI] synonym: "tranquilizing drugs" RELATED [ChEBI] synonym: "tranquillising agent" RELATED [ChEBI] synonym: "tranquillizing agents" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35474 name: anxiolytic drug namespace: chebi_ontology def: "Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions." [] subset: 3_STAR synonym: "anti-anxiety agents" RELATED [ChEBI] synonym: "anti-anxiety drugs" RELATED [ChEBI] synonym: "anxiolytic agents" RELATED [ChEBI] synonym: "anxiolytics" RELATED [ChEBI] synonym: "minor tranquilisers" RELATED [ChEBI] synonym: "minor tranquilizers" RELATED [ChEBI] synonym: "minor tranquilizing agents" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35475 name: non-steroidal anti-inflammatory drug namespace: chebi_ontology def: "An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins." [] subset: 3_STAR synonym: "non-steroidal anti-inflammatory agent" RELATED [ChEBI] synonym: "non-steroidal anti-inflammatory drugs" RELATED [ChEBI] synonym: "NSAID" RELATED [ChEBI] synonym: "NSAIDs" RELATED [ChEBI] xref: Wikipedia:Non-steroidal_anti-inflammatory_drug is_a: CHEBI:35472 ! anti-inflammatory drug is_a: CHEBI:35842 ! antirheumatic drug [Term] id: CHEBI:35476 name: antipsychotic agent namespace: chebi_ontology def: "Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect." [] subset: 3_STAR synonym: "antipsychotic agents" RELATED [ChEBI] synonym: "antipsychotic drug" RELATED [ChEBI] synonym: "antipsychotic drugs" RELATED [ChEBI] synonym: "antipsychotics" RELATED [ChEBI] synonym: "antipsychotiques" RELATED [ChEBI] synonym: "grosser Tranquilizer" RELATED [ChEBI] synonym: "major tranquilizers" RELATED [ChEBI] synonym: "major tranquilizing agents" RELATED [ChEBI] synonym: "neuroleptic" RELATED [ChEBI] synonym: "neuroleptic agents" RELATED [ChEBI] synonym: "neuroleptics" RELATED [ChEBI] synonym: "Neuroleptikum" RELATED [ChEBI] synonym: "neuroleptique" RELATED [ChEBI] synonym: "neuroleptiques" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35477 name: antimanic drug namespace: chebi_ontology def: "Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders." [] subset: 3_STAR synonym: "antimanic agent" RELATED [ChEBI] synonym: "antimanic drugs" RELATED [ChEBI] synonym: "antimanics" RELATED [ChEBI] is_a: CHEBI:35473 ! tranquilizing drug [Term] id: CHEBI:35478 name: lithium salt namespace: chebi_ontology subset: 3_STAR synonym: "lithium salts" RELATED [ChEBI] synonym: "Lithiumsalz" RELATED [ChEBI] synonym: "Lithiumsalze" RELATED [ChEBI] is_a: CHEBI:33298 ! lithium molecular entity is_a: CHEBI:35479 ! alkali metal salt [Term] id: CHEBI:35479 name: alkali metal salt namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33296 ! alkali metal molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35480 name: analgesic namespace: chebi_ontology def: "An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms." [] subset: 3_STAR is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35481 name: non-narcotic analgesic namespace: chebi_ontology def: "A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors." [] subset: 3_STAR is_a: CHEBI:35480 ! analgesic [Term] id: CHEBI:35482 name: opioid analgesic namespace: chebi_ontology def: "A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood." [] subset: 3_STAR synonym: "narcotic" RELATED [ChEBI] synonym: "narcotic analgesic" RELATED [ChEBI] synonym: "narcotic analgesics" RELATED [ChEBI] synonym: "narcotics" RELATED [ChEBI] synonym: "opioid analgesics" RELATED [ChEBI] is_a: CHEBI:35480 ! analgesic [Term] id: CHEBI:35484 name: phthalate ester namespace: chebi_ontology subset: 3_STAR synonym: "phthalate esters" RELATED [ChEBI] is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:62732 ! aromatic ester relationship: has_functional_parent CHEBI:29069 ! phthalic acid relationship: has_role CHEBI:138015 ! endocrine disruptor [Term] id: CHEBI:35486 name: maleate ester namespace: chebi_ontology def: "Compounds of the general formula ROOC-CH=CH-COOR' where R and R' are organyl groups" [] subset: 3_STAR synonym: "maleate esters" RELATED [ChEBI] is_a: CHEBI:51702 ! enoate ester relationship: has_functional_parent CHEBI:18300 ! maleic acid [Term] id: CHEBI:35487 name: EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor namespace: chebi_ontology def: "An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of aldehyde dehydrogenase (NAD(+)), EC 1.2.1.3." [] subset: 3_STAR synonym: "aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitor" RELATED [ChEBI] synonym: "aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitors" RELATED [ChEBI] synonym: "aldehyde dehydrogenase (NAD(+)) inhibitor" RELATED [ChEBI] synonym: "aldehyde dehydrogenase (NAD(+)) inhibitors" RELATED [ChEBI] synonym: "aldehyde dehydrogenase (NAD) inhibitor" RELATED [ChEBI] synonym: "aldehyde dehydrogenase (NAD) inhibitors" RELATED [ChEBI] synonym: "aldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "aldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "CoA-independent aldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "CoA-independent aldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitor" RELATED [ChEBI] synonym: "EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 1.2.1.3 inhibitors" RELATED [ChEBI] synonym: "m-methylbenzaldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "m-methylbenzaldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD-aldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD-aldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD-dependent 4-hydroxynonenal dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD-dependent 4-hydroxynonenal dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD-dependent aldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD-dependent aldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD-linked aldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD-linked aldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "propionaldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "propionaldehyde dehydrogenase inhibitors" RELATED [ChEBI] xref: Wikipedia:Aldehyde_dehydrogenase is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:35488 name: central nervous system depressant namespace: chebi_ontology def: "A loosely defined group of drugs that tend to reduce the activity of the central nervous system." [] subset: 3_STAR synonym: "central nervous system depressants" RELATED [ChEBI] synonym: "CNS depressants" RELATED [ChEBI] is_a: CHEBI:35470 ! central nervous system drug [Term] id: CHEBI:35489 name: organic disulfide namespace: chebi_ontology def: "Compounds of structure RSSR in which R and R' are organic groups." [] subset: 3_STAR synonym: "an organic disulfide" RELATED [UniProt] synonym: "disulfides" EXACT IUPAC_NAME [IUPAC] synonym: "organic disulfides" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:48343 ! disulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "S2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "64.13000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.94414" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]SS[*]" xsd:string [Term] id: CHEBI:35493 name: antipyretic namespace: chebi_ontology def: "A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever." [] subset: 3_STAR synonym: "anti-pyretic" RELATED [ChEBI] xref: Wikipedia:Antipyretic is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35496 name: fluorobenzenes namespace: chebi_ontology def: "Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:35497 name: androgen antagonist namespace: chebi_ontology def: "A compound which inhibits or antagonises the biosynthesis or actions of androgens." [] subset: 3_STAR synonym: "antiandrogen" RELATED [ChEBI] xref: Wikipedia:Antiandrogen is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:35498 name: diuretic namespace: chebi_ontology def: "An agent that promotes the excretion of urine through its effects on kidney function." [] subset: 3_STAR synonym: "diuretics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35499 name: hallucinogen namespace: chebi_ontology def: "Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking." [] subset: 3_STAR synonym: "hallucinogenic agents" RELATED [ChEBI] synonym: "hallucinogenic drugs" RELATED [ChEBI] synonym: "hallucinogens" RELATED [ChEBI] synonym: "psychedelic agents" RELATED [ChEBI] synonym: "psychedelics" RELATED [ChEBI] is_a: CHEBI:35471 ! psychotropic drug [Term] id: CHEBI:35500 name: 1,4-benzodiazepinone namespace: chebi_ontology subset: 3_STAR synonym: "1,4-benzodiazepinones" RELATED [ChEBI] is_a: CHEBI:22720 ! benzodiazepine [Term] id: CHEBI:35504 name: addition compound namespace: chebi_ontology def: "An addition compound contains two or more simpler compounds that can be packed in a definite ratio into a crystal. The term covers donor-acceptor complexes (adducts) and a variety of lattice compounds." [] subset: 3_STAR synonym: "addition compounds" RELATED [ChEBI] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:35505 name: hydrate namespace: chebi_ontology def: "An addition compound that contains water in weak chemical combination with another compound." [] subset: 3_STAR synonym: "hidrato" RELATED [ChEBI] synonym: "hidratos" RELATED [ChEBI] synonym: "Hydrat" RELATED [ChEBI] synonym: "hydrates" RELATED [ChEBI] is_a: CHEBI:35504 ! addition compound relationship: has_part CHEBI:15377 ! water [Term] id: CHEBI:35506 name: alkaloid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "alkaloid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35507 name: natural product fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "natural product fundamental parents" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35508 name: steroid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "steroid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35509 name: androstane namespace: chebi_ontology subset: 3_STAR synonym: "androstane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5247532 {source="Beilstein"} xref: CAS:24887-75-0 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMST02020000 {source="LIPID MAPS"} is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H32" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZLYKIGBANMMBK-FZFXZXLVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "260.45738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.25040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H]" xsd:string [Term] id: CHEBI:35510 name: aluminium salt namespace: chebi_ontology subset: 3_STAR synonym: "aluminium salt" EXACT [ChEBI] synonym: "aluminium salts" RELATED [ChEBI] is_a: CHEBI:33620 ! aluminium molecular entity [Term] id: CHEBI:35516 name: cholestane namespace: chebi_ontology subset: 3_STAR synonym: "cholestane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5334741 {source="Beilstein"} xref: CAS:14982-53-7 {source="NIST Chemistry WebBook"} xref: CAS:14982-53-7 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMST01010000 {source="LIPID MAPS"} xref: Wikipedia:Cholestane is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H48" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XIIAYQZJNBULGD-LDHZKLTISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.67002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.37560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C" xsd:string [Term] id: CHEBI:35517 name: 5beta-cholestane namespace: chebi_ontology subset: 3_STAR synonym: "(5beta)-cholestane" RELATED [ChEBI] synonym: "5beta-cholestane" EXACT IUPAC_NAME [IUPAC] synonym: "beta-cholestane" RELATED [NIST_Chemistry_WebBook] synonym: "coprostane" RELATED [NIST_Chemistry_WebBook] synonym: "pseudocholestane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2051807 {source="Beilstein"} xref: CAS:481-20-9 {source="NIST Chemistry WebBook"} xref: LIPID_MAPS_instance:LMST01010085 {source="LIPID MAPS"} is_a: CHEBI:35516 ! cholestane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H48" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XIIAYQZJNBULGD-CJPSHIORSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.67002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.37560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCCC(C)C" xsd:string [Term] id: CHEBI:35519 name: cholane namespace: chebi_ontology subset: 3_STAR synonym: "cholane" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H42" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QSHQKIURKJITMZ-BRPMRXRMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.59028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.32865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC" xsd:string [Term] id: CHEBI:35522 is_a: CHEBI:37886 ! adrenergic agonist is_a: CHEBI:48540 ! beta-adrenergic drug [Term] id: CHEBI:35523 name: bronchodilator agent namespace: chebi_ontology def: "An agent that causes an increase in the expansion of a bronchus or bronchial tubes." [] subset: 3_STAR synonym: "bronchodilator" RELATED [ChEBI] synonym: "bronchodilator agents" RELATED [ChEBI] synonym: "broncholytic agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35524 name: sympathomimetic agent namespace: chebi_ontology def: "A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters." [] subset: 3_STAR synonym: "sympathomimetic" RELATED [ChEBI] synonym: "sympathomimetics" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:35526 name: hypoglycemic agent namespace: chebi_ontology def: "A drug which lowers the blood glucose level." [] subset: 3_STAR synonym: "antidiabetic" RELATED [ChEBI] synonym: "antihyperglycemic" RELATED [ChEBI] synonym: "antihyperglycemic agent" RELATED [ChEBI] synonym: "antihyperglycemic agents" RELATED [ChEBI] synonym: "antihyperglycemic drug" RELATED [ChEBI] synonym: "antihyperglycemic drugs" RELATED [ChEBI] synonym: "antihyperglycemics" RELATED [ChEBI] synonym: "hypoglycemic agents" RELATED [ChEBI] synonym: "hypoglycemic drug" RELATED [ChEBI] synonym: "hypoglycemic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35530 name: beta-adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety." [] subset: 3_STAR synonym: "beta-adrenergic antagonists" RELATED [ChEBI] synonym: "beta-adrenergic blocker" RELATED [ChEBI] synonym: "beta-adrenergic blockers" RELATED [ChEBI] synonym: "beta-adrenergic receptor blockaders" RELATED [ChEBI] synonym: "beta-adrenoceptor antagonists" RELATED [IUPHAR] synonym: "beta-blocker" RELATED [ChEBI] synonym: "beta-blockers" RELATED [ChEBI] is_a: CHEBI:37887 ! adrenergic antagonist is_a: CHEBI:48540 ! beta-adrenergic drug [Term] id: CHEBI:35533 name: propanolamine namespace: chebi_ontology subset: 3_STAR synonym: "propanolamine" EXACT [ChEBI] synonym: "propanolamines" RELATED [ChEBI] is_a: CHEBI:22478 ! amino alcohol [Term] id: CHEBI:35542 name: 5beta-cardanolide namespace: chebi_ontology subset: 3_STAR synonym: "5beta-cardanolide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35543 ! cardanolide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H36O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQARKTASOBROAE-KPSWSRIPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.53074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.27153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C" xsd:string [Term] id: CHEBI:35543 name: cardanolide namespace: chebi_ontology subset: 3_STAR synonym: "cardanolide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26766 ! steroid lactone is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H36O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQARKTASOBROAE-OCYOQFCJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.53074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.27153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C" xsd:string [Term] id: CHEBI:35544 name: EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor namespace: chebi_ontology def: "A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes." [] subset: 3_STAR synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "(PG)H synthase inhibitor" RELATED [ChEBI] synonym: "(PG)H synthase inhibitors" RELATED [ChEBI] synonym: "COX inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase (EC 1.14.99.1) inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase (EC 1.14.99.1) inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 (cyclooxygenase) inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.1 (cyclooxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.1 inhibitors" RELATED [ChEBI] synonym: "fatty acid cyclooxygenase inhibitor" RELATED [ChEBI] synonym: "fatty acid cyclooxygenase inhibitors" RELATED [ChEBI] synonym: "PG synthetase inhibitor" RELATED [ChEBI] synonym: "PG synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin endoperoxide synthetase inhibitor" RELATED [ChEBI] synonym: "prostaglandin endoperoxide synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin G/H synthase inhibitor" RELATED [ChEBI] synonym: "prostaglandin G/H synthase inhibitors" RELATED [ChEBI] synonym: "prostaglandin synthase inhibitor" RELATED [ChEBI] synonym: "prostaglandin synthase inhibitors" RELATED [ChEBI] synonym: "prostaglandin synthetase inhibitor" RELATED [ChEBI] synonym: "prostaglandin synthetase inhibitors" RELATED [ChEBI] is_a: CHEBI:76840 ! EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:35545 name: bipyridine namespace: chebi_ontology subset: 3_STAR synonym: "Bipyridin" RELATED [ChEBI] synonym: "bipyridine" EXACT IUPAC_NAME [IUPAC] synonym: "bipyridyl" RELATED [IUPAC] is_a: CHEBI:50511 ! bipyridines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.06875" xsd:string [Term] id: CHEBI:35546 name: perfluorodecanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is perfluorinated decanoic acid." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Ndfda" RELATED [ChemIDplus] synonym: "nonadecafluoro-n-decanoic acid" RELATED [ChemIDplus] synonym: "nonadecafluorodecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "perfluoro-n-decanoic acid" RELATED [ChemIDplus] synonym: "perfluorodecanoic acid" EXACT [ChemIDplus] synonym: "PFDA" RELATED [ChemIDplus] xref: Beilstein:1810811 {source="ChemIDplus"} xref: CAS:335-76-2 {source="ChemIDplus"} xref: CAS:335-76-2 {source="NIST Chemistry WebBook"} xref: Gmelin:35659 {source="Gmelin"} xref: PMID:24367824 {source="Europe PMC"} xref: PMID:24582365 {source="Europe PMC"} xref: PMID:24630253 {source="Europe PMC"} xref: Reaxys:1810811 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:30813 ! decanoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10HF19O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PCIUEQPBYFRTEM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "514.08340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "513.96731" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:35547 name: perfluoroheptanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is perfluorinated heptanoic acid." [] subset: 3_STAR synonym: "perfluoro-n-heptanoic acid" RELATED [ChemIDplus] synonym: "perfluoroheptanoic acid" EXACT [ChemIDplus] synonym: "tridecafluoro-1-heptanoic acid" RELATED [ChemIDplus] synonym: "tridecafluoroheptanoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1808210 {source="Beilstein"} xref: CAS:375-85-9 {source="ChemIDplus"} xref: Gmelin:589811 {source="Gmelin"} xref: PMID:24316529 {source="Europe PMC"} xref: PMID:24429974 {source="Europe PMC"} xref: PMID:24756670 {source="Europe PMC"} xref: Reaxys:1808210 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:38847 ! perfluoroheptane relationship: has_functional_parent CHEBI:45571 ! heptanoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7HF13O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZWBAMYVPMDSJGQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.06090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "363.97690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:35549 name: perfluorooctanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is perfluorinated octanoic acid." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "pentadecafluoro-1-octanoic acid" RELATED [ChemIDplus] synonym: "pentadecafluoro-n-octanoic acid" RELATED [ChemIDplus] synonym: "pentadecafluorooctanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "perfluoro-n-octanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "perfluorocaprylic acid" RELATED [ChemIDplus] synonym: "perfluoroheptanecarboxylic acid" RELATED [ChemIDplus] synonym: "perfluorooctanoic acid" EXACT [ChemIDplus] synonym: "perfluorooctylcarboxylic acid" RELATED [ChEBI] synonym: "PFOA" RELATED [ChemIDplus] xref: Beilstein:1809678 {source="ChemIDplus"} xref: CAS:335-67-1 {source="NIST Chemistry WebBook"} xref: CAS:335-67-1 {source="ChemIDplus"} xref: Gmelin:34320 {source="Gmelin"} xref: PMID:16020091 {source="Europe PMC"} xref: PMID:18467677 {source="Europe PMC"} xref: Reaxys:1809678 {source="Reaxys"} xref: Wikipedia:Perfluorooctanoic_acid is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:28837 ! octanoic acid relationship: has_functional_parent CHEBI:38826 ! perfluorooctane relationship: has_role CHEBI:138015 ! endocrine disruptor relationship: has_role CHEBI:35195 ! surfactant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8HF15O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNGREZUHAYWORS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.06840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "413.97370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:35550 name: 1H-1,2,4-triazole namespace: chebi_ontology subset: 3_STAR synonym: "1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] synonym: "s-Triazole" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:104767 {source="Beilstein"} xref: CAS:288-88-0 {source="NIST Chemistry WebBook"} xref: Gmelin:122679 {source="Gmelin"} is_a: CHEBI:35560 ! 1,2,4-triazole relationship: is_tautomer_of CHEBI:35561 ! 3H-1,2,4-triazole relationship: is_tautomer_of CHEBI:46077 ! 4H-1,2,4-triazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSPMIYGKQJPBQR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.06544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc[nH]n1" xsd:string [Term] id: CHEBI:35551 name: fluoroalkanoic acid namespace: chebi_ontology def: "Any organofluorine compound that is the perfluorinated derivative of any alkanoic acid." [] subset: 3_STAR synonym: "fluoroalkanoic acids" RELATED [ChEBI] is_a: CHEBI:134091 ! perfluorinated compound is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:35552 name: heterocyclic organic fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic fundamental parent" RELATED [ChEBI] synonym: "heterocyclic organic fundamental parents" RELATED [ChEBI] synonym: "heterocyclic parent hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "organic heterocyclic fundamental parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent [Term] id: CHEBI:35554 name: cardiovascular drug namespace: chebi_ontology def: "A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume." [] subset: 3_STAR synonym: "cardiovascular agent" RELATED [ChEBI] synonym: "cardiovascular drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35555 name: mancude organic heteromonocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heteromonocyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heteromonocyclic parents" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:35559 name: furan namespace: chebi_ontology alt_id: CHEBI:30855 alt_id: CHEBI:34767 def: "A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid." [] subset: 3_STAR synonym: "1,4-epoxy-1,3-butadiene" RELATED [ChemIDplus] synonym: "divinylene oxide" RELATED [ChemIDplus] synonym: "Furan" EXACT [KEGG_COMPOUND] synonym: "furan" EXACT IUPAC_NAME [IUPAC] synonym: "furane" RELATED [NIST_Chemistry_WebBook] synonym: "oxacyclopentadiene" RELATED [ChemIDplus] synonym: "oxole" RELATED [NIST_Chemistry_WebBook] synonym: "tetrole" RELATED [ChemIDplus] xref: Beilstein:103221 {source="Beilstein"} xref: CAS:110-00-9 {source="ChemIDplus"} xref: CAS:110-00-9 {source="NIST Chemistry WebBook"} xref: CAS:110-00-9 {source="KEGG COMPOUND"} xref: Gmelin:25716 {source="Gmelin"} xref: HMDB:HMDB0013785 xref: KEGG:C14275 xref: LINCS:LSM-37156 xref: PMID:16006568 {source="Europe PMC"} xref: PMID:17224250 {source="Europe PMC"} xref: PMID:22079235 {source="Europe PMC"} xref: PMID:22542513 {source="Europe PMC"} xref: PMID:22641279 {source="Europe PMC"} xref: PMID:22865590 {source="Europe PMC"} xref: PMID:9169064 {source="Europe PMC"} xref: Reaxys:103221 {source="Reaxys"} xref: Wikipedia:Furan is_a: CHEBI:24129 ! furans is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:38179 ! monocyclic heteroarene relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:77523 ! Maillard reaction product property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YLQBMQCUIZJEEH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.07400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.02621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccoc1" xsd:string [Term] id: CHEBI:35560 name: 1,2,4-triazole namespace: chebi_ontology subset: 3_STAR synonym: "1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] xref: DrugBank:DB03594 is_a: CHEBI:38597 ! triazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.065" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.03270" xsd:string [Term] id: CHEBI:35561 name: 3H-1,2,4-triazole namespace: chebi_ontology subset: 3_STAR synonym: "3H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506536 {source="Beilstein"} xref: Gmelin:362238 {source="Gmelin"} is_a: CHEBI:35560 ! 1,2,4-triazole relationship: is_tautomer_of CHEBI:35550 ! 1H-1,2,4-triazole relationship: is_tautomer_of CHEBI:46077 ! 4H-1,2,4-triazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFGRBWANQMLTQI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.06544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1N=CN=N1" xsd:string [Term] id: CHEBI:35568 name: mancude ring namespace: chebi_ontology def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] subset: 3_STAR synonym: "mancude rings" RELATED [ChEBI] synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] synonym: "mancunide-ring systems" RELATED [IUPAC] is_a: CHEBI:23367 ! molecular entity [Term] id: CHEBI:35569 name: alpha-adrenergic agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates alpha-adrenergic receptors." [] subset: 3_STAR synonym: "alpha-adrenergic agonists" RELATED [ChEBI] synonym: "alpha-adrenergic receptor agonist" RELATED [ChEBI] synonym: "alpha-adrenoceptor agonists" RELATED [IUPHAR] is_a: CHEBI:37886 ! adrenergic agonist is_a: CHEBI:48539 ! alpha-adrenergic drug [Term] id: CHEBI:35570 name: mancude organic heterobicyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterobicyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterobicyclic parents" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:35571 name: mancude organic heterocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterocyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterocyclic parents" RELATED [ChEBI] is_a: CHEBI:35552 ! heterocyclic organic fundamental parent is_a: CHEBI:35573 ! organic mancude parent [Term] id: CHEBI:35573 name: organic mancude parent namespace: chebi_ontology subset: 3_STAR synonym: "organic mancude parents" RELATED [ChEBI] synonym: "organic mancude-ring parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent is_a: CHEBI:35568 ! mancude ring [Term] id: CHEBI:35580 name: N-oxide namespace: chebi_ontology subset: 3_STAR synonym: "N-oxide" EXACT [ChEBI] synonym: "N-oxides" RELATED [ChEBI] is_a: CHEBI:25741 ! oxide [Term] id: CHEBI:35584 name: purine namespace: chebi_ontology def: "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines." [] subset: 3_STAR synonym: "purine" EXACT IUPAC_NAME [IUPAC] xref: HMDB:HMDB0001366 xref: KEGG:C15587 xref: MetaCyc:PURINE xref: PMID:12865945 {source="Europe PMC"} xref: PMID:24088627 {source="Europe PMC"} is_a: CHEBI:26401 ! purines is_a: CHEBI:35570 ! mancude organic heterobicyclic parent relationship: has_role CHEBI:78675 ! fundamental metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string [Term] id: CHEBI:35586 name: 1H-purine namespace: chebi_ontology def: "The 1H-tautomer of purine." [] subset: 3_STAR synonym: "1H-purine" EXACT [ChEBI] xref: Gmelin:2379911 {source="Gmelin"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc2c[nH]cnc2n1" xsd:string [Term] id: CHEBI:35588 name: 3H-purine namespace: chebi_ontology def: "The 3H-tautomer of purine." [] subset: 3_STAR synonym: "3H-purine" EXACT IUPAC_NAME [IUPAC] xref: PMID:6149478 {source="Europe PMC"} xref: PMID:7178185 {source="Europe PMC"} xref: PMID:7296170 {source="Europe PMC"} xref: Reaxys:1210196 {source="Reaxys"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc2cnc[nH]c2n1" xsd:string [Term] id: CHEBI:35589 name: 9H-purine namespace: chebi_ontology def: "The 9H-tautomer of purine." [] subset: 3_STAR synonym: "9H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "9H-purine" EXACT [UniProt] xref: Beilstein:606899 {source="Beilstein"} xref: CAS:120-73-0 {source="NIST Chemistry WebBook"} xref: Gmelin:3120 {source="Gmelin"} xref: Wikipedia:Purine is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ncc2nc[nH]c2n1" xsd:string [Term] id: CHEBI:35604 name: carbon oxoanion namespace: chebi_ontology def: "A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n." [] subset: 3_STAR synonym: "carbon oxoanion" EXACT [ChEBI] synonym: "carbon oxoanions" RELATED [ChEBI] synonym: "oxocarbon anion" RELATED [ChEBI] synonym: "oxocarbon anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:35605 name: carbon oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "carbon oxoacids" RELATED [ChEBI] synonym: "oxoacids of carbon" RELATED [ChEBI] is_a: CHEBI:24833 ! oxoacid is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35608 name: EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins." [] subset: 3_STAR synonym: "[phosphotyrosine]protein phosphatase inhibitor" RELATED [ChEBI] synonym: "[phosphotyrosine]protein phosphatase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.48 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.48 inhibitors" RELATED [ChEBI] synonym: "phosphoprotein phosphatase (phosphotyrosine) inhibitor" RELATED [ChEBI] synonym: "phosphoprotein phosphatase (phosphotyrosine) inhibitors" RELATED [ChEBI] synonym: "phosphotyrosine histone phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphotyrosine histone phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphotyrosine phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphotyrosine phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphotyrosine protein phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphotyrosine protein phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphotyrosylprotein phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphotyrosylprotein phosphatase inhibitors" RELATED [ChEBI] synonym: "PPT-phosphatase inhibitor" RELATED [ChEBI] synonym: "PPT-phosphatase inhibitors" RELATED [ChEBI] synonym: "protein phosphotyrosine phosphatase inhibitor" RELATED [ChEBI] synonym: "protein phosphotyrosine phosphatase inhibitors" RELATED [ChEBI] synonym: "protein tyrosine phosphatase inhibitor" RELATED [ChEBI] synonym: "protein tyrosine phosphatase inhibitors" RELATED [ChEBI] synonym: "protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitor" RELATED [ChEBI] synonym: "protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitors" RELATED [ChEBI] synonym: "protein-tyrosine-phosphatase inhibitor" RELATED [ChEBI] synonym: "protein-tyrosine-phosphatase inhibitors" RELATED [ChEBI] synonym: "protein-tyrosine-phosphate phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "protein-tyrosine-phosphate phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "PTP-phosphatase inhibitor" RELATED [ChEBI] synonym: "PTP-phosphatase inhibitors" RELATED [ChEBI] synonym: "PTPase inhibitor" RELATED [ChEBI] synonym: "PTPase inhibitors" RELATED [ChEBI] synonym: "tyrosine O-phosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "tyrosine O-phosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "tyrosylprotein phosphatase inhibitor" RELATED [ChEBI] synonym: "tyrosylprotein phosphatase inhibitors" RELATED [ChEBI] xref: Wikipedia:Protein-tyrosine-phosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:3561 name: cetirizine namespace: chebi_ontology def: "A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively." [] subset: 3_STAR synonym: "(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Cetirizin" RELATED [ChEBI] synonym: "cetirizina" RELATED INN [ChemIDplus] synonym: "cetirizine" RELATED INN [ChEBI] synonym: "cetirizine" RELATED INN [KEGG_DRUG] synonym: "cetirizinum" RELATED INN [ChemIDplus] xref: CAS:83881-51-0 {source="ChemIDplus"} xref: CAS:83881-51-0 {source="KEGG COMPOUND"} xref: Drug_Central:581 {source="DrugCentral"} xref: DrugBank:DB00341 xref: HMDB:HMDB0005032 xref: KEGG:C07778 xref: KEGG:D07662 xref: LINCS:LSM-1544 xref: PMID:15850951 {source="Europe PMC"} xref: PMID:20455340 {source="Europe PMC"} xref: PMID:8103703 {source="Europe PMC"} xref: Reaxys:7227333 {source="Reaxys"} xref: Wikipedia:Cetirizine is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:25698 ! ether is_a: CHEBI:26144 ! piperazines is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37955 ! H1-receptor antagonist relationship: has_role CHEBI:50857 ! anti-allergic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H25ClN2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKLPARSLTMPFCP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "388.88800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "388.15537" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:35610 name: antineoplastic agent namespace: chebi_ontology def: "A substance that inhibits or prevents the proliferation of neoplasms." [] subset: 3_STAR synonym: "anticancer agent" RELATED [ChEBI] synonym: "anticancer agents" RELATED [ChEBI] synonym: "antineoplastic" RELATED [ChEBI] synonym: "antineoplastic agents" RELATED [ChEBI] synonym: "cytostatic" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35615 name: tropane namespace: chebi_ontology subset: 3_STAR synonym: "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane" RELATED [IUPAC] synonym: "1alphaH,5alphaH-tropane" RELATED [NIST_Chemistry_WebBook] synonym: "2,3-dihydro-8-methylnortropidine" RELATED [NIST_Chemistry_WebBook] synonym: "N-methyl-8-azabicyclo[3.2.1]octane" RELATED [NIST_Chemistry_WebBook] synonym: "tropane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6379695 {source="Beilstein"} xref: CAS:529-17-9 {source="ChemIDplus"} xref: CAS:529-17-9 {source="NIST Chemistry WebBook"} is_a: CHEBI:35506 ! alkaloid fundamental parent is_a: CHEBI:37332 ! tropane alkaloid is_a: CHEBI:38419 ! saturated organic heterobicyclic parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLRPYZSEQKXZAA-OCAPTIKFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "125.21144" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.12045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1[C@H]2CCC[C@@H]1CC2" xsd:string [Term] id: CHEBI:35617 name: flavouring agent namespace: chebi_ontology def: "A food additive that is used to added improve the taste or odour of a food." [] subset: 3_STAR synonym: "flavoring agent" RELATED [ChEBI] synonym: "flavoring agents" RELATED [ChEBI] synonym: "flavour enhancer" RELATED [ChEBI] synonym: "flavour enhancers" RELATED [ChEBI] synonym: "flavouring agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:35618 name: aromatic ether namespace: chebi_ontology def: "Any ether in which the oxygen is attached to at least one aryl substituent." [] subset: 3_STAR is_a: CHEBI:25698 ! ether is_a: CHEBI:33659 ! organic aromatic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35620 name: vasodilator agent namespace: chebi_ontology def: "A drug used to cause dilation of the blood vessels." [] subset: 3_STAR synonym: "vasodilator" RELATED [ChEBI] synonym: "vasodilator agents" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35622 name: thiazolidines namespace: chebi_ontology subset: 3_STAR synonym: "thiazolidine" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:35623 name: anticonvulsant namespace: chebi_ontology def: "A drug used to prevent seizures or reduce their severity." [] subset: 3_STAR synonym: "anti-convulsant" RELATED [ChEBI] synonym: "anti-convulsants" RELATED [ChEBI] synonym: "anti-convulsive agent" RELATED [ChEBI] synonym: "anti-convulsive agents" RELATED [ChEBI] synonym: "anticonvulsants" RELATED [ChEBI] synonym: "anticonvulsive agent" RELATED [ChEBI] synonym: "anticonvulsive agents" RELATED [ChEBI] synonym: "antiepileptic" RELATED [ChEBI] synonym: "antiepileptics" RELATED [ChEBI] synonym: "Antiepileptika" RELATED [ChEBI] synonym: "Antiepileptikum" RELATED [ChEBI] synonym: "antiepileptique" RELATED [ChEBI] synonym: "antiepileptiques" RELATED [ChEBI] synonym: "Antikonvulsiva" RELATED [ChEBI] synonym: "Antikonvulsivum" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35624 name: azaspiro compound namespace: chebi_ontology def: "An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle." [] subset: 3_STAR synonym: "azaspiro compound" EXACT [ChEBI] synonym: "azaspiro compounds" RELATED [ChEBI] is_a: CHEBI:33599 ! spiro compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:35625 name: EC 3.5.2.6 (beta-lactamase) inhibitor namespace: chebi_ontology def: "An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6)." [] subset: 3_STAR synonym: "ampicillinase inhibitor" RELATED [ChEBI] synonym: "ampicillinase inhibitors" RELATED [ChEBI] synonym: "beta-lactam hydrolase inhibitor" RELATED [ChEBI] synonym: "beta-lactam hydrolase inhibitors" RELATED [ChEBI] synonym: "beta-lactamase (EC 3.5.2.6) inhibitor" RELATED [ChEBI] synonym: "beta-lactamase (EC 3.5.2.6) inhibitors" RELATED [ChEBI] synonym: "beta-lactamase A, B, C inhibitor" RELATED [ChEBI] synonym: "beta-lactamase A, B, C inhibitors" RELATED [ChEBI] synonym: "beta-lactamase AME I inhibitor" RELATED [ChEBI] synonym: "beta-lactamase AME I inhibitors" RELATED [ChEBI] synonym: "beta-lactamase I-III inhibitor" RELATED [ChEBI] synonym: "beta-lactamase I-III inhibitors" RELATED [ChEBI] synonym: "beta-lactamase inhibitor" RELATED [ChEBI] synonym: "beta-lactamase inhibitors" RELATED [ChEBI] synonym: "cephalosporin-beta-lactamase inhibitor" RELATED [ChEBI] synonym: "cephalosporin-beta-lactamase inhibitors" RELATED [ChEBI] synonym: "cephalosporinase inhibitor" RELATED [ChEBI] synonym: "cephalosporinase inhibitors" RELATED [ChEBI] synonym: "EC 3.5.2.6 (beta-lactamase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.2.6 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.2.6 inhibitors" RELATED [ChEBI] synonym: "exopenicillinase inhibitor" RELATED [ChEBI] synonym: "exopenicillinase inhibitors" RELATED [ChEBI] synonym: "neutrapen inhibitor" RELATED [ChEBI] synonym: "neutrapen inhibitors" RELATED [ChEBI] synonym: "penicillin amido-beta-lactamhydrolase inhibitor" RELATED [ChEBI] synonym: "penicillin amido-beta-lactamhydrolase inhibitors" RELATED [ChEBI] synonym: "penicillin beta-lactamase inhibitor" RELATED [ChEBI] synonym: "penicillin beta-lactamase inhibitors" RELATED [ChEBI] synonym: "penicillinase I, II inhibitor" RELATED [ChEBI] synonym: "penicillinase I, II inhibitors" RELATED [ChEBI] synonym: "penicillinase inhibitor" RELATED [ChEBI] synonym: "penicillinase inhibitors" RELATED [ChEBI] is_a: CHEBI:76808 ! EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor [Term] id: CHEBI:35627 name: beta-lactam namespace: chebi_ontology alt_id: CHEBI:10426 alt_id: CHEBI:13203 alt_id: CHEBI:22845 def: "A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon." [] subset: 3_STAR synonym: "a beta-lactam" RELATED [UniProt] synonym: "beta-Lactam" EXACT [KEGG_COMPOUND] synonym: "beta-lactams" RELATED [ChEBI] xref: KEGG:C01866 xref: Wikipedia:Beta-lactam is_a: CHEBI:24995 ! lactam property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.054" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(N(*)C1*)=O)*" xsd:string [Term] id: CHEBI:35640 name: adrenergic uptake inhibitor namespace: chebi_ontology def: "Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin." [] subset: 3_STAR synonym: "adrenergic reuptake inhibitor" RELATED [ChEBI] synonym: "adrenergic reuptake inhibitors" RELATED [ChEBI] synonym: "adrenergic uptake inhibitors" RELATED [ChEBI] synonym: "ARI" RELATED [ChEBI] synonym: "NERI" RELATED [ChEBI] synonym: "norepinephrine reuptake inhibitor" RELATED [ChEBI] synonym: "norepinephrine reuptake inhibitors" RELATED [ChEBI] synonym: "NRI" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:35641 name: dibenzannulene namespace: chebi_ontology subset: 3_STAR synonym: "dibenzannulene" EXACT [ChEBI] synonym: "dibenzannulenes" RELATED [ChEBI] is_a: CHEBI:35296 ! ortho-fused polycyclic arene [Term] id: CHEBI:35642 name: dibenzo[a,d][7]annulene namespace: chebi_ontology subset: 3_STAR synonym: "5H-dibenzo[a,d][7]annulene" EXACT IUPAC_NAME [IUPAC] synonym: "5H-dibenzo[a,d]cycloheptene" RELATED [ChEBI] is_a: CHEBI:35641 ! dibenzannulene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPJORFLSOJAUNL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "192.25578" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "192.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1c2ccccc2C=Cc2ccccc12" xsd:string [Term] id: CHEBI:35649 name: morphinan namespace: chebi_ontology subset: 3_STAR synonym: "morphinan" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1375527 "Beilstein" xref: Beilstein:1375527 {source="Beilstein"} is_a: CHEBI:25418 ! morphinane alkaloid is_a: CHEBI:38515 ! isoquinoline alkaloid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H21N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "INAXVFBXDYWQFN-XHSDSOJGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.34468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.16740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@@]11CCN[C@@H]2Cc2ccccc12" xsd:string [Term] id: CHEBI:35660 name: HIV protease inhibitor namespace: chebi_ontology def: "An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly." [] subset: 3_STAR synonym: "HIV protease inhibitors" RELATED [ChEBI] xref: Wikipedia:Protease_inhibitor_(pharmacology) is_a: CHEBI:37670 ! protease inhibitor is_a: CHEBI:64946 ! anti-HIV agent [Term] id: CHEBI:35662 name: terpenoid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "terpenoid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35507 ! natural product fundamental parent [Term] id: CHEBI:35664 name: EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor namespace: chebi_ontology def: "Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme." [] subset: 3_STAR synonym: "HMG-CoA reductase inhibitor" RELATED [ChEBI] synonym: "HMG-CoA reductase inhibitors" RELATED [ChEBI] synonym: "hydroxymethylglutaryl-CoA reductase inhibitor" RELATED [ChEBI] synonym: "hydroxymethylglutaryl-CoA reductase inhibitors" RELATED [ChEBI] xref: PMID:1464741 {source="Europe PMC"} xref: PMID:15531285 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} xref: Wikipedia:HMG-CoA_reductase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:35674 name: antihypertensive agent namespace: chebi_ontology def: "Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism." [] subset: 3_STAR synonym: "antihypertensive" RELATED [ChEBI] synonym: "antihypertensive agents" RELATED [ChEBI] synonym: "antihypertensive drug" RELATED [ChEBI] synonym: "antihypertensive drugs" RELATED [ChEBI] xref: Wikipedia:Antihypertensive_drug is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:35676 name: benzazepine namespace: chebi_ontology def: "A group of two-ring heterocyclic compounds consisting of a benzene ring fused to an azepine ring." [] subset: 3_STAR synonym: "benzazepine" EXACT [ChEBI] synonym: "benzazepines" RELATED [ChEBI] synonym: "benzoazepines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:35678 name: histamine agonist namespace: chebi_ontology def: "A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically." [] subset: 3_STAR synonym: "histamine agonists" RELATED [ChEBI] is_a: CHEBI:37957 ! histaminergic drug [Term] id: CHEBI:35679 name: antilipemic drug namespace: chebi_ontology def: "A substance used to treat hyperlipidemia (an excess of lipids in the blood)." [] subset: 3_STAR synonym: "antihyperlipemic" RELATED [ChEBI] synonym: "antihyperlipemics" RELATED [ChEBI] synonym: "antihyperlipidaemic agent" RELATED [ChEBI] synonym: "antihyperlipidaemic agents" RELATED [ChEBI] synonym: "antihyperlipidaemic drug" RELATED [ChEBI] synonym: "antihyperlipidaemic drugs" RELATED [ChEBI] synonym: "antihyperlipidemic" RELATED [ChEBI] synonym: "antihyperlipidemic agent" RELATED [ChEBI] synonym: "antihyperlipidemic agents" RELATED [ChEBI] synonym: "antihyperlipidemic drug" RELATED [ChEBI] synonym: "antihyperlipidemic drugs" RELATED [ChEBI] synonym: "antihyperlipidemics" RELATED [ChEBI] synonym: "antilipemic" RELATED [ChEBI] synonym: "antilipemic drugs" RELATED [ChEBI] synonym: "antilipemics" RELATED [ChEBI] synonym: "hypolipidemic agent" RELATED [ChEBI] synonym: "hypolipidemic agents" RELATED [ChEBI] synonym: "lipid-lowering agent" RELATED [ChEBI] synonym: "lipid-lowering agents" RELATED [ChEBI] synonym: "lipid-lowering drug" RELATED [ChEBI] synonym: "lipid-lowering drugs" RELATED [ChEBI] xref: Wikipedia:Hypolipidemic_agent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35681 name: secondary alcohol namespace: chebi_ontology alt_id: CHEBI:13425 alt_id: CHEBI:13686 alt_id: CHEBI:26617 alt_id: CHEBI:58662 alt_id: CHEBI:8741 alt_id: CHEBI:9077 def: "A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it." [] subset: 3_STAR synonym: "a secondary alcohol" RELATED [UniProt] synonym: "R-CHOH-R'" RELATED [KEGG_COMPOUND] synonym: "Secondary alcohol" EXACT [KEGG_COMPOUND] synonym: "secondary alcohols" RELATED [ChEBI] xref: KEGG:C00432 xref: KEGG:C01612 is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.026" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(*)O" xsd:string [Term] id: CHEBI:35682 name: naphthol namespace: chebi_ontology def: "A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class." [] subset: 3_STAR synonym: "hydroxynaphthalene" RELATED [ChEBI] synonym: "naphthalenol" EXACT IUPAC_NAME [IUPAC] synonym: "naphthol" EXACT [IUPAC] xref: CAS:1321-67-1 {source="ChemIDplus"} is_a: CHEBI:25392 ! naphthols relationship: has_parent_hydride CHEBI:16482 ! naphthalene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.05751" xsd:string [Term] id: CHEBI:35683 name: aryl sulfide namespace: chebi_ontology def: "Any organic sulfide in which the sulfur is attached to at least one aromatic group." [] subset: 3_STAR synonym: "aryl sulfide" EXACT [ChEBI] synonym: "aryl sulfides" RELATED [ChEBI] is_a: CHEBI:16385 ! organic sulfide [Term] id: CHEBI:35684 name: antiplatyhelmintic drug namespace: chebi_ontology def: "An agent used to treat cestode, trematode, or other flatworm infestations in man or animals." [] subset: 3_STAR synonym: "antiplatyhelmintic agent" RELATED [ChEBI] synonym: "antiplatyhelmintic drugs" RELATED [ChEBI] is_a: CHEBI:35443 ! anthelminthic drug [Term] id: CHEBI:35687 name: butan-2-ol namespace: chebi_ontology def: "A secondary alcohol that is butane substituted by a hydroxy group at position 2." [] subset: 3_STAR synonym: "1-methyl-1-propanol" RELATED [ChemIDplus] synonym: "1-methylpropyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "2-butanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-butyl alcohol" RELATED [ChemIDplus] synonym: "2-hydroxybutane" RELATED [ChemIDplus] synonym: "butan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "butan-2-ol" EXACT [UniProt] synonym: "butanol-2" RELATED [NIST_Chemistry_WebBook] synonym: "methylethylcarbinol" RELATED [ChemIDplus] synonym: "s-butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "s-Butylalkohol" RELATED [ChEBI] synonym: "sec-butanol" RELATED [NIST_Chemistry_WebBook] synonym: "sec-butyl alcohol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:773649 {source="Beilstein"} xref: CAS:78-92-2 {source="ChemIDplus"} xref: CAS:78-92-2 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02606 xref: Gmelin:1686 {source="Gmelin"} xref: HMDB:HMDB0011469 xref: MetaCyc:CPD-326 xref: PMID:18214490 {source="Europe PMC"} xref: PMID:24078128 {source="Europe PMC"} xref: Reaxys:773649 {source="Reaxys"} xref: Wikipedia:2-butanol is_a: CHEBI:35681 ! secondary alcohol relationship: has_parent_hydride CHEBI:37808 ! butane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTANRVKWQNVYAZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)O" xsd:string [Term] id: CHEBI:35688 name: benzimidazolecarboxylic acid namespace: chebi_ontology def: "A member of the class of benzimidazoles carrying a carboxy group at unspecified position." [] subset: 3_STAR synonym: "benzimidazolecarboxylic acid" EXACT [ChEBI] synonym: "benzimidazolecarboxylic acids" RELATED [ChEBI] is_a: CHEBI:22715 ! benzimidazoles is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:35689 name: tetrazoles namespace: chebi_ontology def: "An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom." [] subset: 3_STAR is_a: CHEBI:68452 ! azole [Term] id: CHEBI:35690 name: cyclobutane-1,1-dicarboxylate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "cbdca" RELATED [IUPAC] synonym: "cbdca(2-)" RELATED [ChEBI] synonym: "cyclobutane-1,1-dicarboxylate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:405673 {source="Gmelin"} is_a: CHEBI:36205 ! cyclobutanedicarboxylate relationship: is_conjugate_base_of CHEBI:35694 ! cyclobutane-1,1-dicarboxylate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCQPAEQGAVNNIA-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.10944" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.02771" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C1(CCC1)C([O-])=O" xsd:string [Term] id: CHEBI:35691 name: cyclobutane-1,1-dicarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "1,1-cyclobutanedicarboxylic acid" RELATED [ChemIDplus] synonym: "cyclobutane-1,1-dicarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "H2cbdca" RELATED [IUPAC] xref: Beilstein:2046031 {source="Beilstein"} xref: CAS:5445-51-2 {source="ChemIDplus"} xref: CAS:5445-51-2 {source="NIST Chemistry WebBook"} xref: Gmelin:82590 {source="Gmelin"} is_a: CHEBI:36186 ! cyclobutanedicarboxylic acid relationship: is_conjugate_acid_of CHEBI:35694 ! cyclobutane-1,1-dicarboxylate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCQPAEQGAVNNIA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.12532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1(CCC1)C(O)=O" xsd:string [Term] id: CHEBI:35692 name: dicarboxylic acid namespace: chebi_ontology alt_id: CHEBI:23692 alt_id: CHEBI:36172 alt_id: CHEBI:4501 def: "Any carboxylic acid containing two carboxy groups." [] subset: 3_STAR synonym: "Dicarboxylic acid" EXACT [KEGG_COMPOUND] synonym: "dicarboxylic acids" RELATED [ChEBI] xref: KEGG:C02028 is_a: CHEBI:131927 ! dicarboxylic acids and O-substituted derivatives is_a: CHEBI:33575 ! carboxylic acid relationship: is_conjugate_acid_of CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35693 name: dicarboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid anion" EXACT [ChEBI] synonym: "dicarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:35694 name: cyclobutane-1,1-dicarboxylate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxycyclobutanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Hcbdca" RELATED [IUPAC] synonym: "Hcbdca(-)" RELATED [ChEBI] synonym: "hydrogen cyclobutane-1,1-dicarboxylate" RELATED [ChEBI] xref: Gmelin:486356 {source="Gmelin"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:35690 ! cyclobutane-1,1-dicarboxylate(2-) relationship: is_conjugate_base_of CHEBI:35691 ! cyclobutane-1,1-dicarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCQPAEQGAVNNIA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.11738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.03498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1(CCC1)C([O-])=O" xsd:string [Term] id: CHEBI:35695 name: dicarboxylic acid monoanion namespace: chebi_ontology def: "Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid." [] subset: 3_STAR synonym: "dicarboxylic acid monoanions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion [Term] id: CHEBI:35701 name: ester namespace: chebi_ontology alt_id: CHEBI:23960 alt_id: CHEBI:4859 def: "A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter." [] subset: 3_STAR synonym: "Ester" EXACT [KEGG_COMPOUND] synonym: "esters" RELATED [ChEBI] xref: KEGG:C00287 xref: Wikipedia:Ester is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35702 name: diethyl ether namespace: chebi_ontology alt_id: CHEBI:23991 alt_id: CHEBI:31565 def: "An ether in which the oxygen atom is linked to two ethyl groups." [] subset: 3_STAR synonym: "1,1'-oxybisethane" RELATED [ChemIDplus] synonym: "1,1'-oxydiethane" EXACT IUPAC_NAME [IUPAC] synonym: "3-oxapentane" RELATED [ChemIDplus] synonym: "Aether" RELATED [ChEBI] synonym: "aether" RELATED [NIST_Chemistry_WebBook] synonym: "aether pro narcosi" RELATED [ChEBI] synonym: "Anesthetic ether" RELATED [KEGG_COMPOUND] synonym: "Diethyl ether" EXACT [KEGG_COMPOUND] synonym: "diethyl oxide" RELATED [ChemIDplus] synonym: "Diethylaether" RELATED [ChEBI] synonym: "Ether" RELATED [KEGG_COMPOUND] synonym: "ethoxyethane" RELATED [ChemIDplus] synonym: "ethyl ether" RELATED [ChemIDplus] synonym: "ethyl oxide" RELATED [ChemIDplus] synonym: "Pronarcol" RELATED [NIST_Chemistry_WebBook] synonym: "R-610" RELATED [ChEBI] xref: Beilstein:1696894 {source="Beilstein"} xref: CAS:60-29-7 {source="NIST Chemistry WebBook"} xref: CAS:60-29-7 {source="ChemIDplus"} xref: CAS:60-29-7 {source="KEGG COMPOUND"} xref: Drug_Central:4417 {source="DrugCentral"} xref: Gmelin:25444 {source="Gmelin"} xref: KEGG:C13240 xref: KEGG:D01772 xref: PMID:24443836 {source="Europe PMC"} xref: Reaxys:1696894 {source="Reaxys"} xref: Wikipedia:Diethyl_ether is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:25698 ! ether relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTZKZFJDLAIYFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOCC" xsd:string [Term] id: CHEBI:35703 name: xenobiotic namespace: chebi_ontology alt_id: CHEBI:10074 alt_id: CHEBI:27333 def: "A xenobiotic (Greek, xenos \"foreign\"; bios \"life\") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means." [] subset: 3_STAR synonym: "Xenobiotic" EXACT [KEGG_COMPOUND] synonym: "xenobiotic" EXACT IUPAC_NAME [IUPAC] synonym: "xenobiotic compounds" RELATED [ChEBI] synonym: "xenobiotics" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C06708 xref: Wikipedia:Xenobiotic is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:35705 name: immunosuppressive agent namespace: chebi_ontology def: "An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response." [] subset: 3_STAR synonym: "immunosuppressant" RELATED [ChEBI] synonym: "immunosuppressive agents" RELATED [ChEBI] synonym: "inmunosupresor" RELATED [ChEBI] is_a: CHEBI:50846 ! immunomodulator [Term] id: CHEBI:35710 name: pinane namespace: chebi_ontology def: "A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6." [] subset: 3_STAR synonym: "2,6,6-trimethylbicyclo[3.1.1]heptane" EXACT IUPAC_NAME [IUPAC] synonym: "dihydropinene" RELATED [NIST_Chemistry_WebBook] synonym: "pinane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1847301 {source="Beilstein"} xref: CAS:473-55-2 {source="NIST Chemistry WebBook"} xref: CAS:473-55-2 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMPR0102120026 {source="LIPID MAPS"} xref: Reaxys:1847301 {source="Reaxys"} is_a: CHEBI:35187 ! monoterpene is_a: CHEBI:35662 ! terpenoid fundamental parent is_a: CHEBI:36785 ! carbobicyclic compound relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOKSLPVRUOBDEW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.24992" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.14085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1CCC2CC1C2(C)C" xsd:string [Term] id: CHEBI:35715 name: nitro compound namespace: chebi_ontology def: "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied)." [] subset: 3_STAR synonym: "nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:29785 ! nitro group [Term] id: CHEBI:35716 name: C-nitro compound namespace: chebi_ontology def: "A nitro compound having the nitro group (-NO2) attached to a carbon atom." [] subset: 3_STAR synonym: "C-nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35715 ! nitro compound is_a: CHEBI:72695 ! organic molecule relationship: is_tautomer_of CHEBI:136622 ! aci-nitro compound [Term] id: CHEBI:35717 name: sedative namespace: chebi_ontology def: "A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety." [] subset: 3_STAR synonym: "hypnotics" RELATED [ChEBI] synonym: "hypnotics and sedatives" RELATED [ChEBI] synonym: "sedative drug" RELATED [ChEBI] synonym: "sedatives" RELATED [ChEBI] synonym: "sedatives and hypnotics" RELATED [ChEBI] is_a: CHEBI:35488 ! central nervous system depressant [Term] id: CHEBI:35718 name: antifungal agent namespace: chebi_ontology def: "An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce." [] subset: 3_STAR synonym: "antifungal" RELATED [ChEBI] synonym: "antifungal agents" RELATED [ChEBI] synonym: "antifungal drug" RELATED [ChEBI] synonym: "antifungal drugs" RELATED [ChEBI] synonym: "antifungals" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:35719 name: sulfamic acids namespace: chebi_ontology def: "H2NS(=O)2OH (sulfamic acid) and its N-hydrocarbyl derivatives." [] subset: 3_STAR synonym: "sulfamic acids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01614 is_a: CHEBI:33552 ! sulfonic acid derivative relationship: is_conjugate_acid_of CHEBI:131822 ! sulfamate [Term] id: CHEBI:35722 name: sulfated glycosaminoglycan namespace: chebi_ontology subset: 3_STAR synonym: "glycosaminoglycan sulfate" RELATED [ChEBI] synonym: "glycosaminoglycan sulfates" RELATED [ChEBI] synonym: "sulfated glycosaminoglycans" RELATED [ChEBI] is_a: CHEBI:18085 ! glycosaminoglycan is_a: CHEBI:35724 ! carbohydrate sulfate [Term] id: CHEBI:35724 name: carbohydrate sulfate namespace: chebi_ontology subset: 3_STAR synonym: "carbohydrate sulfates" RELATED [ChEBI] synonym: "carbohydrate sulphates" RELATED [ChEBI] is_a: CHEBI:25704 ! organic sulfate is_a: CHEBI:26819 ! sulfuric ester is_a: CHEBI:63299 ! carbohydrate derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35725 name: isopropyl ester namespace: chebi_ontology def: "Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol." [] subset: 3_STAR synonym: "propan-2-yl ester" RELATED [ChEBI] synonym: "propan-2-yl esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:17824 ! propan-2-ol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.097" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(OC(C)C)(*)=O" xsd:string [Term] id: CHEBI:35727 name: triazoles namespace: chebi_ontology def: "An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms." [] subset: 3_STAR synonym: "triazole compounds" RELATED [ChEBI] is_a: CHEBI:68452 ! azole [Term] id: CHEBI:35731 name: osmium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "osmium coordination compounds" RELATED [ChEBI] synonym: "osmium coordination entities" RELATED [ChEBI] synonym: "osmium coordination entity" EXACT [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:35732 ! osmium molecular entity [Term] id: CHEBI:35732 name: osmium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "osmium compounds" RELATED [ChEBI] synonym: "osmium molecular entities" RELATED [ChEBI] synonym: "osmium molecular entitiy" RELATED [ChEBI] is_a: CHEBI:33744 ! iron group molecular entity relationship: has_part CHEBI:30687 ! osmium atom [Term] id: CHEBI:35733 name: ruthenium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "ruthenium coordination compound" RELATED [ChEBI] synonym: "ruthenium coordination compounds" RELATED [ChEBI] synonym: "ruthenium coordination entities" RELATED [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity is_a: CHEBI:35734 ! ruthenium molecular entity [Term] id: CHEBI:35734 name: ruthenium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "ruthenium compounds" RELATED [ChEBI] synonym: "ruthenium molecular entities" RELATED [ChEBI] is_a: CHEBI:33744 ! iron group molecular entity relationship: has_part CHEBI:30682 ! ruthenium atom [Term] id: CHEBI:35735 name: dicarboxylic acid monoamide namespace: chebi_ontology alt_id: CHEBI:13210 alt_id: CHEBI:23691 alt_id: CHEBI:6976 subset: 3_STAR synonym: "dicarboxylic acid monoamides" RELATED [ChEBI] xref: KEGG:C04131 is_a: CHEBI:23690 ! dicarboxylic acid amide relationship: is_conjugate_acid_of CHEBI:77450 ! dicarboxylic acid monoamide(1-) [Term] id: CHEBI:35737 name: monothiocarboxylic acid namespace: chebi_ontology def: "Compounds in which one oxygen of a carboxy group has been replaced by divalent sulfur; RC(=O)SH or RC(=S)OH." [] subset: 3_STAR synonym: "monothiocarboxylic acid" EXACT [ChEBI] synonym: "monothiocarboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "monothiocarboxylic acids" RELATED [ChEBI] synonym: "thio acid" RELATED [ChEBI] is_a: CHEBI:33307 ! thiocarboxylic acid [Term] id: CHEBI:35740 name: liposaccharide namespace: chebi_ontology subset: 3_STAR synonym: "liposaccharides" RELATED [ChEBI] is_a: CHEBI:18059 ! lipid is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:35741 name: glycerolipid namespace: chebi_ontology def: "Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached." [] subset: 3_STAR synonym: "glycerolipids" RELATED [ChEBI] xref: PMID:18606873 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid relationship: has_functional_parent CHEBI:17754 ! glycerol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35742 name: tetracarboxylic acid namespace: chebi_ontology def: "An oxoacid containing four carboxy groups." [] subset: 3_STAR synonym: "tetracarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O8R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.99062" xsd:string [Term] id: CHEBI:35744 name: carbocyclic fatty acid namespace: chebi_ontology def: "Any fatty acid containing a ring composed of carbon atoms." [] subset: 3_STAR synonym: "carbocyclic fatty acids" RELATED [ChEBI] is_a: CHEBI:59238 ! cyclic fatty acid relationship: is_conjugate_acid_of CHEBI:157668 ! carbocyclic fatty acid anion [Term] id: CHEBI:35746 name: fatty aldehyde namespace: chebi_ontology def: "An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain." [] subset: 3_STAR synonym: "a fatty aldehyde" RELATED [UniProt] synonym: "fatty aldehydes" RELATED [ChEBI] xref: PMID:15210368 {source="Europe PMC"} xref: PMID:21341652 {source="Europe PMC"} xref: PMID:21347727 {source="Europe PMC"} is_a: CHEBI:59768 ! aliphatic aldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C=O" xsd:string [Term] id: CHEBI:35748 name: fatty acid ester namespace: chebi_ontology alt_id: CHEBI:27315 alt_id: CHEBI:35747 alt_id: CHEBI:78205 def: "A carboxylic ester in which the carboxylic acid component can be any fatty acid." [] subset: 3_STAR synonym: "a fatty acid ester" RELATED [UniProt] synonym: "FAEE" RELATED [SUBMITTER] synonym: "fatty acid esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:61697 ! fatty acid derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OC([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35753 name: tricarboxylic acid anion namespace: chebi_ontology def: "Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group." [] subset: 3_STAR synonym: "tricarboxylic acid anion" EXACT [ChEBI] synonym: "tricarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:27093 ! tricarboxylic acid [Term] id: CHEBI:35754 name: tetracarboxylic acid anion namespace: chebi_ontology def: "Any anion of a tetracarboxylic acid formed by deprotonation of one or more carboxy groups." [] subset: 3_STAR synonym: "tetracarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:35757 name: monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:13657 alt_id: CHEBI:25382 alt_id: CHEBI:3407 def: "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated." [] subset: 3_STAR synonym: "a monocarboxylate" RELATED [UniProt] synonym: "Carboxylate" RELATED [KEGG_COMPOUND] synonym: "Monocarboxylate" RELATED [KEGG_COMPOUND] synonym: "monocarboxylates" RELATED [ChEBI] synonym: "monocarboxylic acid anions" RELATED [ChEBI] xref: KEGG:C00060 is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25384 ! monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:35776 name: arsenic oxoanion namespace: chebi_ontology subset: 3_STAR synonym: "arsenic oxoanion" EXACT [ChEBI] synonym: "arsenic oxoanions" RELATED [ChEBI] synonym: "oxoanions of arsenic" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:33459 ! pnictogen oxoanion [Term] id: CHEBI:35777 name: boron oxide namespace: chebi_ontology subset: 3_STAR synonym: "boron oxides" RELATED [ChEBI] synonym: "oxides of boron" RELATED [ChEBI] is_a: CHEBI:22916 ! boron molecular entity is_a: CHEBI:24836 ! inorganic oxide [Term] id: CHEBI:35779 name: dicarboxylic acid diamide namespace: chebi_ontology subset: 3_STAR synonym: "dicarboxylic acid diamide" EXACT [ChEBI] synonym: "dicarboxylic acid diamides" RELATED [ChEBI] is_a: CHEBI:23690 ! dicarboxylic acid amide [Term] id: CHEBI:35780 name: phosphate ion namespace: chebi_ontology def: "A phosphorus oxoanion that is the conjugate base of phosphoric acid." [] subset: 3_STAR synonym: "phosphate" RELATED [ChEBI] synonym: "phosphate ions" RELATED [ChEBI] synonym: "Pi" RELATED [ChEBI] is_a: CHEBI:33461 ! phosphorus oxoanion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:26078 ! phosphoric acid [Term] id: CHEBI:35782 name: diphosphate ion namespace: chebi_ontology alt_id: CHEBI:14177 alt_id: CHEBI:35781 subset: 3_STAR synonym: "diphosphate ions" RELATED [ChEBI] synonym: "PPi" RELATED [ChEBI] is_a: CHEBI:33461 ! phosphorus oxoanion [Term] id: CHEBI:35783 name: bornane namespace: chebi_ontology subset: 3_STAR synonym: "1,7,7-trimethylbicyclo[2.2.1]heptane" EXACT IUPAC_NAME [IUPAC] synonym: "bornane" EXACT IUPAC_NAME [IUPAC] synonym: "bornylane" RELATED [NIST_Chemistry_WebBook] synonym: "camphane" RELATED [ChemIDplus] xref: Beilstein:1900804 {source="Beilstein"} xref: CAS:464-15-3 {source="NIST Chemistry WebBook"} xref: CAS:464-15-3 {source="ChemIDplus"} xref: DrugBank:DB04501 xref: LIPID_MAPS_instance:LMPR0102120000 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMPR0102120026 {source="LIPID MAPS"} is_a: CHEBI:35187 ! monoterpene is_a: CHEBI:35662 ! terpenoid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BEWYHVAWEKZDPP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.24992" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.14085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC1(C)CC2" xsd:string [Term] id: CHEBI:35788 name: seco-steroid namespace: chebi_ontology subset: 3_STAR synonym: "seco-steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35789 name: oxo steroid namespace: chebi_ontology alt_id: CHEBI:24979 alt_id: CHEBI:25804 subset: 3_STAR synonym: "keto steroids" RELATED [ChEBI] synonym: "ketosteroids" RELATED [ChEBI] synonym: "oxo steroids" RELATED [ChEBI] synonym: "oxosteroids" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:35790 name: oxazole namespace: chebi_ontology def: "An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom." [] subset: 3_STAR synonym: "oxazole" EXACT [ChEBI] synonym: "oxazoles" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:68452 ! azole [Term] id: CHEBI:35800 name: nitroso compound namespace: chebi_ontology def: "Compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen." [] subset: 3_STAR synonym: "nitroso compounds" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_part CHEBI:35801 ! nitroso group [Term] id: CHEBI:35801 name: nitroso group namespace: chebi_ontology subset: 3_STAR synonym: "-N=O" RELATED [IUPAC] synonym: "nitroso" EXACT IUPAC_NAME [IUPAC] synonym: "O=N-" RELATED [IUPAC] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.00614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=N*" xsd:string [Term] id: CHEBI:35803 name: nitrosamine namespace: chebi_ontology def: "N-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant." [] subset: 3_STAR synonym: "N-Nitroso amines" RELATED [IUPAC] synonym: "nitrosamines" RELATED [ChEBI] xref: Wikipedia:Nitrosamine is_a: CHEBI:35800 ! nitroso compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N2OR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.00106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])N=O" xsd:string [Term] id: CHEBI:35807 name: N-nitrosodimethylamine namespace: chebi_ontology alt_id: CHEBI:21778 alt_id: CHEBI:34874 subset: 3_STAR synonym: "1,1-Dimethyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "Dimethylnitrosamine" RELATED [KEGG_COMPOUND] synonym: "Dimethylnitrosoamine" RELATED [ChemIDplus] synonym: "DMN" RELATED [ChemIDplus] synonym: "N,N-Dimethylnitrosamine" RELATED [ChemIDplus] synonym: "N-methyl-N-nitrosomethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-Nitrosodimethylamine" EXACT [ChemIDplus] synonym: "N-Nitrosodimethylamine" EXACT [KEGG_COMPOUND] xref: CAS:62-75-9 {source="KEGG COMPOUND"} xref: CAS:62-75-9 {source="ChemIDplus"} xref: CAS:62-75-9 {source="NIST Chemistry WebBook"} xref: FooDB:FDB003496 xref: HMDB:HMDB0031419 xref: KEGG:C14704 xref: MetaCyc:CPD-18996 xref: PMID:10688537 {source="Europe PMC"} xref: PMID:15647563 {source="Europe PMC"} xref: PMID:15672376 {source="Europe PMC"} xref: PMID:16640298 {source="Europe PMC"} xref: PMID:25556763 {source="Europe PMC"} xref: PMID:32836149 {source="Europe PMC"} xref: PMID:33849366 {source="Europe PMC"} xref: PMID:34247699 {source="Europe PMC"} xref: PMID:34546846 {source="Europe PMC"} xref: PMID:8318659 {source="Europe PMC"} xref: PMID:8951235 {source="Europe PMC"} xref: PPDB:1645 xref: Wikipedia:N-Nitrosodimethylamine is_a: CHEBI:35803 ! nitrosamine relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:25435 ! mutagen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UMFJAHHVKNCGLG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.08192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)N=O" xsd:string [Term] id: CHEBI:35818 name: coccidiostat namespace: chebi_ontology def: "An agent useful in the treatment or prevention of coccidiosis in man or animals." [] subset: 3_STAR synonym: "anticoccidial agent" RELATED [ChEBI] synonym: "coccidiostats" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:35819 name: branched-chain fatty acid namespace: chebi_ontology alt_id: CHEBI:22919 alt_id: CHEBI:3166 def: "Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids." [] subset: 3_STAR synonym: "BCFA" RELATED [ChEBI] synonym: "BCFAs" RELATED [ChEBI] synonym: "Branched chain fatty acid" RELATED [KEGG_COMPOUND] synonym: "branched fatty acid" RELATED [ChEBI] synonym: "branched fatty acids" RELATED [ChEBI] synonym: "branched-chain fatty acids" RELATED [ChEBI] xref: KEGG:C05996 xref: PMID:18318842 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58955 ! branched-chain fatty acid anion [Term] id: CHEBI:35820 name: antiprotozoal drug namespace: chebi_ontology def: "Any antimicrobial drug which is used to treat or prevent protozoal infections." [] subset: 3_STAR synonym: "antiprotozoal agent" RELATED [ChEBI] synonym: "antiprotozoal agents" RELATED [ChEBI] synonym: "antiprotozoal drugs" RELATED [ChEBI] xref: Wikipedia:Antiprotozoal_agent is_a: CHEBI:35442 ! antiparasitic agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:35821 name: anticholesteremic drug namespace: chebi_ontology alt_id: CHEBI:64906 def: "A substance used to lower plasma cholesterol levels." [] subset: 3_STAR synonym: "anticholesteremic" RELATED [ChEBI] synonym: "anticholesteremic agent" RELATED [ChEBI] synonym: "anticholesteremic drugs" RELATED [ChEBI] synonym: "antihypercholesterolemic" RELATED [ChEBI] synonym: "antihypercholesterolemic agent" RELATED [ChEBI] synonym: "antihypercholesterolemic agents" RELATED [ChEBI] synonym: "antihypercholesterolemic drug" RELATED [ChEBI] synonym: "antihypercholesterolemic drugs" RELATED [ChEBI] synonym: "antihypercholesterolemics" RELATED [ChEBI] synonym: "cholesterol inhibitor" RELATED [ChEBI] synonym: "cholesterol-lowering agent" RELATED [ChEBI] synonym: "cholesterol-lowering agents" RELATED [ChEBI] synonym: "cholesterol-lowering drug" RELATED [ChEBI] synonym: "cholesterol-lowering drugs" RELATED [ChEBI] synonym: "hypocholesteremic agent" RELATED [ChEBI] is_a: CHEBI:35679 ! antilipemic drug [Term] id: CHEBI:35822 name: arsenic hydride namespace: chebi_ontology subset: 3_STAR synonym: "arsenic hydrides" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:35881 ! pnictogen hydride [Term] id: CHEBI:35823 name: arsanes namespace: chebi_ontology def: "The saturated hydrides of tervalent arsenic, having the general formula AsnHn+2." [] subset: 3_STAR synonym: "arsanes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35822 ! arsenic hydride [Term] id: CHEBI:35842 name: antirheumatic drug namespace: chebi_ontology def: "A drug used to treat rheumatoid arthritis." [] subset: 3_STAR synonym: "anti-rheumatic drugs" RELATED [ChEBI] synonym: "antirheumatic agent" RELATED [ChEBI] synonym: "antirheumatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:35843 name: arsine oxides namespace: chebi_ontology def: "H3As=O and its hydrocarbyl derivatives." [] subset: 3_STAR synonym: "arsine oxides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22632 ! arsenic molecular entity [Term] id: CHEBI:35845 name: gout suppressant namespace: chebi_ontology def: "A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout." [] subset: 3_STAR synonym: "gout suppressants" RELATED [ChEBI] is_a: CHEBI:35842 ! antirheumatic drug [Term] id: CHEBI:35850 name: sulfone namespace: chebi_ontology def: "An organosulfur compound having the structure RS(=O)2R (R =/= H)." [] subset: 3_STAR synonym: "sulfone" EXACT [ChEBI] synonym: "sulfones" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:35856 name: lipoxygenase inhibitor namespace: chebi_ontology def: "A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes." [] subset: 3_STAR synonym: "lipooxygenase inhibitor" RELATED [ChEBI] synonym: "lipoxygenase inhibitors" RELATED [ChEBI] is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] id: CHEBI:35868 name: hydroxy monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy acid" RELATED [ChEBI] synonym: "hydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:36059 ! hydroxy monocarboxylic acid anion [Term] id: CHEBI:35871 name: oxo monocarboxylic acid namespace: chebi_ontology def: "Any monocarboxylic acid having at least one additional oxo functional group." [] subset: 3_STAR synonym: "oxo monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:25754 ! oxo carboxylic acid relationship: is_conjugate_acid_of CHEBI:35902 ! oxo monocarboxylic acid anion [Term] id: CHEBI:35873 name: carboxylic anhydride namespace: chebi_ontology def: "Anhydrides derived from carboxylic acids." [] subset: 3_STAR synonym: "carboxylic anhydride" EXACT [ChEBI] synonym: "carboxylic anhydrides" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic anhydrides" RELATED [ChEBI] is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:36606 ! acid anhydride [Term] id: CHEBI:35875 name: imidazopyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "imidazopyrimidines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:35878 name: phosphanes namespace: chebi_ontology def: "The saturated hydrides of tervalent phosphorus having the general formula PnHn+2." [] subset: 3_STAR synonym: "phosphanes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35879 ! phosphorus hydride [Term] id: CHEBI:35879 name: phosphorus hydride namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus hydrides" RELATED [ChEBI] is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:35881 ! pnictogen hydride [Term] id: CHEBI:35881 name: pnictogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "pnictogen hydride" EXACT [ChEBI] synonym: "pnictogen hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:35883 name: phosphine namespace: chebi_ontology def: "Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane." [] subset: 3_STAR synonym: "fosfinas" RELATED [IUPAC] synonym: "phosphines" EXACT IUPAC_NAME [IUPAC] synonym: "phosphines" RELATED [ChEBI] xref: PMID:14629181 {source="Europe PMC"} xref: PMID:21241104 {source="Europe PMC"} xref: PMID:21399776 {source="Europe PMC"} xref: PMID:21699183 {source="Europe PMC"} xref: PMID:21714575 {source="Europe PMC"} xref: PMID:21854058 {source="Europe PMC"} xref: PMID:21957974 {source="Europe PMC"} is_a: CHEBI:26082 ! phosphorus molecular entity relationship: has_role CHEBI:35223 ! catalyst [Term] id: CHEBI:35902 name: oxo monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:35178 alt_id: CHEBI:35901 subset: 3_STAR synonym: "oxo monocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion is_a: CHEBI:35903 ! oxo carboxylic acid anion relationship: is_conjugate_base_of CHEBI:35871 ! oxo monocarboxylic acid [Term] id: CHEBI:35903 name: oxo carboxylic acid anion namespace: chebi_ontology def: "Any carboxylic acid anion containing at least one oxo group." [] subset: 3_STAR synonym: "oxo carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25754 ! oxo carboxylic acid [Term] id: CHEBI:35910 name: 2-oxo monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:11634 alt_id: CHEBI:1238 alt_id: CHEBI:13195 alt_id: CHEBI:13594 alt_id: CHEBI:19736 alt_id: CHEBI:35909 def: "Any monocarboxylic acid having a 2-oxo substituent." [] subset: 3_STAR synonym: "2-Oxo acid" RELATED [KEGG_COMPOUND] synonym: "2-oxo acid" RELATED [UniProt] synonym: "2-oxo carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxo monocarboxylic acids" RELATED [ChEBI] synonym: "2-Oxocarboxylate" RELATED [KEGG_COMPOUND] xref: KEGG:C00161 is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:35179 ! 2-oxo monocarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.02750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C([*])=O" xsd:string [Term] id: CHEBI:35923 name: hydroperoxide namespace: chebi_ontology def: "A monosubstitution product of hydrogen peroxide, HOOH." [] subset: 3_STAR synonym: "hydroperoxide" EXACT [ChEBI] synonym: "hydroperoxides" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides relationship: has_part CHEBI:29792 ! hydroperoxy group [Term] id: CHEBI:35924 name: peroxol namespace: chebi_ontology def: "Monosubstitution products of hydrogen peroxide HOOH, having the skeleton ROOH, in which R is any organyl group." [] subset: 3_STAR synonym: "a hydroperoxide" RELATED [UniProt] synonym: "hydroperoxides" RELATED [IUPAC] synonym: "organic hydroperoxides" RELATED [ChEBI] synonym: "peroxols" EXACT IUPAC_NAME [IUPAC] synonym: "peroxols" RELATED [ChEBI] is_a: CHEBI:35923 ! hydroperoxide is_a: CHEBI:36963 ! organooxygen compound is_a: CHEBI:37863 ! chalcoperoxol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OO[*]" xsd:string [Term] id: CHEBI:35941 name: serotonergic agonist namespace: chebi_ontology def: "An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders." [] subset: 3_STAR synonym: "5-HT agonist" RELATED [ChEBI] synonym: "5-hydroxytryptamine agonist" RELATED [ChEBI] synonym: "serotonergic agonists" RELATED [ChEBI] synonym: "serotonin agonist" RELATED [ChEBI] synonym: "serotonin agonists" RELATED [ChEBI] is_a: CHEBI:48278 ! serotonergic drug [Term] id: CHEBI:35942 name: neurotransmitter agent namespace: chebi_ontology def: "A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function." [] subset: 3_STAR synonym: "neurotransmitter agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:35969 name: 3-hydroxy monocarboxylic acid namespace: chebi_ontology def: "A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group." [] subset: 3_STAR synonym: "3-hydroxy acid" RELATED [ChEBI] synonym: "3-hydroxy monocarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy acid" RELATED [ChEBI] synonym: "beta-hydroxy acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid [Term] id: CHEBI:35972 name: dihydroxy monocarboxylic acid namespace: chebi_ontology def: "Any hydroxy monocarboxylic acid carrying at least two hydroxy groups." [] subset: 3_STAR synonym: "dihydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:35973 name: 3-oxo monocarboxylic acid anion namespace: chebi_ontology def: "An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group)." [] subset: 3_STAR synonym: "3-oxo monocarboxylic acid anions" RELATED [ChEBI] synonym: "a 3-oxo acid" RELATED [UniProt] is_a: CHEBI:35902 ! oxo monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:47881 ! 3-oxo monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.046" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C([O-])=O)C(*)=O" xsd:string [Term] id: CHEBI:35975 name: 5-oxo monocarboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "5-oxo monocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35902 ! oxo monocarboxylic acid anion [Term] id: CHEBI:35983 name: 7-oxo monocarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "7-oxo monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35871 ! oxo monocarboxylic acid [Term] id: CHEBI:35987 name: diamino acid namespace: chebi_ontology def: "Any amino acid carrying two amino groups." [] subset: 3_STAR is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:59561 ! diamino acid anion [Term] id: CHEBI:35990 name: bridged compound namespace: chebi_ontology def: "A polycyclic compound in which two rings have two or more atoms in common." [] subset: 3_STAR synonym: "bridged compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound [Term] id: CHEBI:36009 name: omega-6 fatty acid name: ω−6 fatty acid namespace: chebi_ontology def: "A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid." [] subset: 3_STAR synonym: "omega-6 fatty acid" EXACT [] synonym: "omega-6 fatty acid" EXACT [ChEBI] synonym: "omega-6 fatty acids" RELATED [ChEBI] xref: PMID:19035453 {source="Europe PMC"} xref: PMID:19136835 {source="Europe PMC"} is_a: CHEBI:59549 ! essential fatty acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36014 name: chloromethane namespace: chebi_ontology alt_id: CHEBI:25247 alt_id: CHEBI:33185 def: "A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group." [] subset: 3_STAR synonym: "CH3Cl" RELATED [IUPAC] synonym: "chloromethane" EXACT [UniProt] synonym: "chloromethane" EXACT IUPAC_NAME [IUPAC] synonym: "MeCl" RELATED [IUPAC] synonym: "methyl chloride" RELATED [ChemIDplus] synonym: "Methylchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "methylchloride" RELATED [ChemIDplus] synonym: "monochloromethane" RELATED [ChemIDplus] synonym: "R-40" RELATED [ChEBI] xref: Beilstein:1696839 {source="Beilstein"} xref: CAS:74-87-3 {source="ChemIDplus"} xref: CAS:74-87-3 {source="NIST Chemistry WebBook"} xref: CAS:74-87-3 {source="KEGG COMPOUND"} xref: Gmelin:24898 {source="Gmelin"} xref: KEGG:C19446 xref: MetaCyc:CPD-845 xref: PMID:12738255 {source="Europe PMC"} xref: PMID:7679475 {source="Europe PMC"} xref: Reaxys:1696839 {source="Reaxys"} xref: UM-BBD_compID:c0599 {source="UM-BBD"} xref: Wikipedia:Chloromethane is_a: CHEBI:23148 ! chloromethanes is_a: CHEBI:25253 ! methyl halides relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3Cl/c1-2/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NEHMKBQYUWJMIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "50.48722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "49.99233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([H])Cl" xsd:string [Term] id: CHEBI:36015 name: 1,1,1-trichloroethane namespace: chebi_ontology def: "A member of the class of chloroethanes carrying three chloro substituents at position 1." [] subset: 3_STAR synonym: "1,1,1-TCE" RELATED [ChemIDplus] synonym: "1,1,1-Trichloraethan" RELATED [ChEBI] synonym: "1,1,1-trichlorethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,1-trichloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-T" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-trichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "Methylchloroform" RELATED [KEGG_COMPOUND] synonym: "methylchloroform" RELATED [NIST_Chemistry_WebBook] synonym: "methyltrichloromethane" RELATED [ChemIDplus] synonym: "trichloro-1,1,1-ethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1731614 {source="ChemIDplus"} xref: CAS:71-55-6 {source="ChemIDplus"} xref: CAS:71-55-6 {source="NIST Chemistry WebBook"} xref: CAS:71-55-6 {source="KEGG COMPOUND"} xref: Gmelin:82076 {source="Gmelin"} xref: HMDB:HMDB0041791 xref: KEGG:C18246 xref: PMID:16541244 {source="Europe PMC"} xref: PMID:20536226 {source="Europe PMC"} xref: PMID:23102696 {source="Europe PMC"} xref: PPDB:1511 xref: Reaxys:1731614 {source="Reaxys"} xref: Wikipedia:1\,1\,1-Trichloroethane is_a: CHEBI:36016 ! chloroethanes relationship: has_role CHEBI:48354 ! polar solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UOCLXMDMGBRAIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.40332" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.93003" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:36016 name: chloroethanes namespace: chebi_ontology def: "A chloroalkane that is ethane in which one or more of the hydrogens is replaced by chlorine." [] subset: 3_STAR is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:23128 ! chloroalkane relationship: has_parent_hydride CHEBI:42266 ! ethane [Term] id: CHEBI:36018 name: 1,1,2-trichloroethane namespace: chebi_ontology def: "A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2." [] subset: 3_STAR synonym: "1,1,2-Trichloraethan" RELATED [ChEBI] synonym: "1,1,2-trichlorethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,2-trichloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "1,2,2-trichloroethane" RELATED [ChemIDplus] synonym: "beta-T" RELATED [NIST_Chemistry_WebBook] synonym: "beta-trichloroethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1731726 {source="ChemIDplus"} xref: CAS:79-00-5 {source="ChemIDplus"} xref: CAS:79-00-5 {source="NIST Chemistry WebBook"} xref: CAS:79-00-5 {source="KEGG COMPOUND"} xref: Gmelin:239897 {source="Gmelin"} xref: KEGG:C19536 xref: PMID:20665324 {source="Europe PMC"} xref: PMID:22375547 {source="Europe PMC"} xref: PMID:23046725 {source="Europe PMC"} xref: PMID:23990262 {source="Europe PMC"} xref: Reaxys:1731726 {source="Reaxys"} xref: Wikipedia:1\,1\,2-Trichloroethane is_a: CHEBI:36016 ! chloroethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UBOXGVDOUJQMTN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.40332" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.93003" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC(Cl)Cl" xsd:string [Term] id: CHEBI:36021 name: octadec-9-enoic acid namespace: chebi_ontology def: "An octadecenoic acid with a double bond at C-9." [] subset: 3_STAR synonym: "18:1, n-9" RELATED [ChEBI] synonym: "9-octadecenoic acid" RELATED [ChEBI] synonym: "C18:1, n-9" RELATED [ChEBI] synonym: "Delta(9)-octadecenoic acid" RELATED [ChemIDplus] synonym: "octadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1726541 {source="Beilstein"} xref: CAS:2027-47-6 {source="ChemIDplus"} xref: CAS:2027-47-6 {source="NIST Chemistry WebBook"} xref: PMID:20110887 {source="Europe PMC"} xref: PMID:22908585 {source="Europe PMC"} xref: PMID:23578483 {source="Europe PMC"} xref: PMID:24478215 {source="Europe PMC"} xref: Reaxys:1726541 {source="Reaxys"} is_a: CHEBI:25634 ! octadecenoic acid relationship: has_parent_hydride CHEBI:37605 ! octadec-9-ene relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:132944 ! octadec-9-enoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.46136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CCCCCCCC)=C([H])CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:36026 name: 1,1,2,2-tetrachloroethane namespace: chebi_ontology def: "A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2." [] subset: 3_STAR synonym: "1,1,2,2-Tetrachloraethan" RELATED [ChEBI] synonym: "1,1,2,2-tetrachlorethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,2,2-tetrachloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "1,1-dichloro-2,2-dichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "acetylene tetrachloride" RELATED [ChemIDplus] synonym: "s-Tetrachloroethane" RELATED [ChemIDplus] synonym: "sym-Tetrachloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "Tetrachloroethane" RELATED [KEGG_COMPOUND] xref: Beilstein:969206 {source="Beilstein"} xref: CAS:79-34-5 {source="ChemIDplus"} xref: CAS:79-34-5 {source="NIST Chemistry WebBook"} xref: CAS:79-34-5 {source="KEGG COMPOUND"} xref: Gmelin:184809 {source="Gmelin"} xref: KEGG:C19534 xref: MetaCyc:1122-TETRACHLOROETHANE xref: PMID:18830144 {source="Europe PMC"} xref: PMID:6767185 {source="Europe PMC"} xref: Reaxys:969206 {source="Reaxys"} xref: Wikipedia:1\,1\,2\,2-Tetrachloroethane is_a: CHEBI:36016 ! chloroethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPFMBZIOSGYJDE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.84808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.89106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)C(Cl)Cl" xsd:string [Term] id: CHEBI:36027 name: stilbenol name: stilbenol namespace: chebi_ontology def: "Any stilbenoid with at least one phenolic group." [] subset: 3_STAR synonym: "stilbenol" EXACT [ChEBI] is_a: CHEBI:26776 ! stilbenoid is_a: CHEBI:33853 ! phenols property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36029 name: butenoate namespace: chebi_ontology subset: 3_STAR synonym: "butenoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:2580 ! unsaturated fatty acid anion is_a: CHEBI:58951 ! short-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.081" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.02895" xsd:string [Term] id: CHEBI:36033 name: icosatetraenoic acid namespace: chebi_ontology def: "A 20-carbon, polyunsaturated fatty acid having four double bonds at unspecified positions." [] subset: 3_STAR synonym: "20:4" RELATED [ChEBI] synonym: "C20:4" RELATED [ChEBI] synonym: "eicosatetraenoic acid" RELATED [ChEBI] synonym: "eicosatetraenoic acids" RELATED [ChEBI] synonym: "icosatetraenoic acid" EXACT [ChEBI] synonym: "icosatetraenoic acids" RELATED [ChEBI] xref: PMID:23475189 {source="Europe PMC"} is_a: CHEBI:132539 ! fatty acid 20:4 is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:53339 ! olefinic fatty acid relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78804 ! Caenorhabditis elegans metabolite relationship: is_conjugate_acid_of CHEBI:62920 ! icosatetraenoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.46690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:36043 name: antimicrobial drug namespace: chebi_ontology def: "A drug used to treat or prevent microbial infections." [] subset: 3_STAR synonym: "antimicrobial drugs" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:36044 name: antiviral drug namespace: chebi_ontology def: "A substance used in the prophylaxis or therapy of virus diseases." [] subset: 3_STAR synonym: "anti-viral drug" RELATED [ChEBI] synonym: "anti-virus drug" RELATED [ChEBI] synonym: "antiviral drugs" RELATED [ChEBI] is_a: CHEBI:22587 ! antiviral agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36047 name: antibacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent bacterial infections." [] subset: 3_STAR synonym: "antibacterial drugs" RELATED [ChEBI] xref: Wikipedia:Antibacterial is_a: CHEBI:33282 ! antibacterial agent is_a: CHEBI:36043 ! antimicrobial drug [Term] id: CHEBI:36053 name: acaricide drug namespace: chebi_ontology def: "A drug used to treat infestations with arthropods of the subclass Acari (mites and ticks)." [] subset: 3_STAR synonym: "acaricide drugs" RELATED [ChEBI] xref: Wikipedia:Acaricide is_a: CHEBI:22153 ! acaricide is_a: CHEBI:35442 ! antiparasitic agent [Term] id: CHEBI:36054 name: benzoate ester namespace: chebi_ontology def: "Esters of benzoic acid or substituted benzoic acids." [] subset: 3_STAR synonym: "benzoate ester" EXACT [ChEBI] synonym: "benzoate esters" RELATED [ChEBI] synonym: "benzoic acid esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:62732 ! aromatic ester relationship: has_functional_parent CHEBI:22723 ! benzoic acids property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36059 name: hydroxy monocarboxylic acid anion namespace: chebi_ontology def: "Any monocarboxylic acid anion carrying at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anion" RELATED [ChEBI] synonym: "hydroxymonocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:36063 name: oxytocic namespace: chebi_ontology def: "A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients)." [] subset: 3_STAR synonym: "oxytocic" EXACT [ChEBI] synonym: "oxytocic agents" RELATED [ChEBI] synonym: "oxytocic drugs" RELATED [ChEBI] synonym: "uterine stimulants" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:36064 name: taxane namespace: chebi_ontology subset: 3_STAR synonym: "(4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene" RELATED [ChemIDplus] synonym: "(4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene" RELATED [ChemIDplus] synonym: "taxane" EXACT IUPAC_NAME [IUPAC] xref: CAS:1605-68-1 {source="ChemIDplus"} is_a: CHEBI:35190 ! diterpene is_a: CHEBI:35662 ! terpenoid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKPFODGZWDEEBT-QFIAKTPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "276.49984" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "276.28170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C" xsd:string [Term] id: CHEBI:36078 name: cholanoid namespace: chebi_ontology alt_id: CHEBI:22867 alt_id: CHEBI:50419 subset: 3_STAR synonym: "bile acids and derivatives" RELATED [LIPID_MAPS] synonym: "cholanoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMST04 {source="LIPID MAPS"} is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35519 ! cholane [Term] id: CHEBI:36080 name: protein namespace: chebi_ontology alt_id: CHEBI:13677 alt_id: CHEBI:14911 def: "A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome." [] subset: 3_STAR synonym: "proteins" EXACT IUPAC_NAME [IUPAC] is_a: PR:000000001 ! protein equivalent_to: PR:000000001 ! protein property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36084 name: dihydroxybenzoate namespace: chebi_ontology def: "A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid." [] subset: 3_STAR synonym: "dihydroxybenzoate" EXACT [ChEBI] synonym: "dihydroxybenzoates" RELATED [ChEBI] is_a: CHEBI:24675 ! hydroxybenzoate relationship: is_conjugate_base_of CHEBI:23778 ! dihydroxybenzoic acid [Term] id: CHEBI:36093 name: inorganic chloride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic chloride salt" RELATED [ChEBI] synonym: "inorganic chloride salts" RELATED [ChEBI] synonym: "inorganic chlorides" RELATED [ChEBI] is_a: CHEBI:17996 ! chloride is_a: CHEBI:23114 ! chloride salt is_a: CHEBI:24839 ! inorganic salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36094 name: organic chloride salt namespace: chebi_ontology subset: 3_STAR synonym: "organic chloride salts" RELATED [ChEBI] is_a: CHEBI:17996 ! chloride is_a: CHEBI:23114 ! chloride salt is_a: CHEBI:51069 ! organic halide salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36128 name: cyclopropanecarboxylate namespace: chebi_ontology subset: 3_STAR xref: Beilstein:3537480 {source="Beilstein"} xref: Gmelin:745858 {source="Gmelin"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:23500 ! cyclopropanecarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMGUBTXCNDTFJI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.08130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C1CC1" xsd:string [Term] id: CHEBI:36130 name: cyclic terpene ketone namespace: chebi_ontology def: "An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton." [] subset: 3_STAR synonym: "cyclic terpene ketone" EXACT [ChEBI] is_a: CHEBI:26872 ! terpene ketone is_a: CHEBI:36132 ! alicyclic ketone [Term] id: CHEBI:36132 name: alicyclic ketone namespace: chebi_ontology def: "A cyclic ketone in which the carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system." [] subset: 3_STAR synonym: "alicyclic ketone" EXACT [IUPAC] synonym: "alicyclic ketones" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:3992 ! cyclic ketone relationship: has_parent_hydride CHEBI:33654 ! alicyclic compound [Term] id: CHEBI:36140 name: cyclopentanones namespace: chebi_ontology def: "Any alicyclic ketone that consists of a cyclopentane skeleton substituted by at least one oxo group." [] subset: 3_STAR is_a: CHEBI:36132 ! alicyclic ketone [Term] id: CHEBI:36141 name: quinone namespace: chebi_ontology alt_id: CHEBI:13684 alt_id: CHEBI:26517 def: "Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included)." [] subset: 3_STAR synonym: "Chinon" RELATED [ChEBI] synonym: "quinone" EXACT [IUPAC] synonym: "quinones" EXACT IUPAC_NAME [IUPAC] synonym: "quinones" RELATED [ChEBI] xref: Wikipedia:Quinone is_a: CHEBI:3992 ! cyclic ketone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36151 name: heptenoic acid namespace: chebi_ontology def: "A C7, medium-chain fatty acid carrying a double bond at any position along the main chain." [] subset: 3_STAR synonym: "heptenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "heptenoic acids" RELATED [ChEBI] xref: CAS:25377-46-2 {source="ChemIDplus"} is_a: CHEBI:25413 ! monounsaturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.08373" xsd:string [Term] id: CHEBI:36180 name: butenedioate namespace: chebi_ontology alt_id: CHEBI:22956 alt_id: CHEBI:22957 subset: 3_STAR synonym: "but-2-enedioate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:874013 {source="Gmelin"} is_a: CHEBI:61336 ! C4-dicarboxylate relationship: is_conjugate_base_of CHEBI:37155 ! hydrogen butenedioate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.05628" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.99641" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])C([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:36186 name: cyclobutanedicarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "cyclobutanedicarboxylic acids" RELATED [ChEBI] is_a: CHEBI:156473 ! cyclobutanes is_a: CHEBI:35692 ! dicarboxylic acid [Term] id: CHEBI:36205 name: cyclobutanedicarboxylate namespace: chebi_ontology subset: 3_STAR synonym: "cyclobutanedicarboxylates" RELATED [ChEBI] is_a: CHEBI:156473 ! cyclobutanes is_a: CHEBI:28965 ! dicarboxylic acid dianion [Term] id: CHEBI:36219 name: alpha-lactose namespace: chebi_ontology alt_id: CHEBI:35461 alt_id: CHEBI:43627 alt_id: CHEBI:6353 def: "The alpha-anomer of lactose." [] subset: 3_STAR synonym: "1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose" RELATED [IUPAC] synonym: "alpha-Lactose" EXACT [KEGG_COMPOUND] synonym: "alpha-lactose" EXACT [UniProt] synonym: "Anhydrous lactose" RELATED [KEGG_COMPOUND] synonym: "beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->4)-alpha-D-Glcp" RELATED [IUPAC] synonym: "LACTOSE" RELATED [PDBeChem] synonym: "Lactose" RELATED [KEGG_COMPOUND] synonym: "Milk sugar" RELATED [KEGG_COMPOUND] synonym: "WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1" RELATED [GlyTouCan] xref: Beilstein:90842 {source="Beilstein"} xref: CAS:14641-93-1 {source="ChemIDplus"} xref: Drug_Central:1535 {source="DrugCentral"} xref: DrugBank:DB04465 xref: GlyGen:G88362QR xref: GlyTouCan:G88362QR xref: MetaCyc:LACTOSE xref: PDBeChem:LBT xref: PMID:2432147 {source="Europe PMC"} xref: Reaxys:90842 {source="Reaxys"} is_a: CHEBI:17716 ! lactose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-XLOQQCSPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:36233 name: disaccharide namespace: chebi_ontology alt_id: CHEBI:23844 alt_id: CHEBI:4654 def: "A compound in which two monosaccharides are joined by a glycosidic bond." [] subset: 3_STAR synonym: "disacarido" RELATED [ChEBI] synonym: "disacaridos" RELATED [IUPAC] synonym: "Disaccharid" RELATED [ChEBI] synonym: "Disaccharide" EXACT [KEGG_COMPOUND] synonym: "disaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Disacharid" RELATED [ChEBI] xref: KEGG:C01911 is_a: CHEBI:50699 ! oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36237 name: cholanic acid namespace: chebi_ontology def: "A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24." [] subset: 3_STAR synonym: "cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:25312-65-6 {source="ChemIDplus"} xref: Patent:JP2008069152 xref: Reaxys:13246008 {source="Reaxys"} is_a: CHEBI:36278 ! cholanic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPKLZQLYODPWTM-KBMWBBLPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.57320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:36238 name: 5beta-cholanic acid namespace: chebi_ontology subset: 3_STAR synonym: "(5beta)-cholan-24-oic acid" RELATED [ChemIDplus] synonym: "(5beta,17beta)-gamma-methylandrostane-17-butanoic acid" RELATED [ChemIDplus] synonym: "5beta-cholan-24-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5beta-cholanic acid" EXACT [ChemIDplus] synonym: "5beta-cholanoic acid" RELATED [ChemIDplus] synonym: "ursocholanic acid" RELATED [ChemIDplus] xref: Beilstein:3214794 {source="Beilstein"} xref: CAS:546-18-9 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMST04010441 {source="LIPID MAPS"} is_a: CHEBI:36237 ! cholanic acid is_a: CHEBI:36248 ! 5beta-cholanic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPKLZQLYODPWTM-LVVAJZGHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.57320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:36248 name: 5beta-cholanic acids namespace: chebi_ontology def: "Members of the class of cholanic acids based on a 5beta-cholane skeleton." [] subset: 3_STAR is_a: CHEBI:136889 ! 5beta steroid is_a: CHEBI:36278 ! cholanic acids relationship: has_parent_hydride CHEBI:20664 ! 5beta-cholane [Term] id: CHEBI:36258 name: but-2-enoate namespace: chebi_ontology alt_id: CHEBI:11530 alt_id: CHEBI:19482 alt_id: CHEBI:36251 def: "The conjugate base of but-2-enoic acid." [] subset: 3_STAR synonym: "2-butenoate" RELATED [ChEBI] synonym: "but-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587578 {source="Beilstein"} xref: Gmelin:324282 {source="Gmelin"} is_a: CHEBI:36029 ! butenoate relationship: is_conjugate_base_of CHEBI:17217 ! 2-butenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LDHQCZJRKDOVOX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.08130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C)=CC([O-])=O" xsd:string [Term] id: CHEBI:36265 name: transition element oxoacid namespace: chebi_ontology subset: 3_STAR synonym: "transition element oxoacids" RELATED [ChEBI] synonym: "transition metal oxoacid" RELATED [ChEBI] synonym: "transition metal oxoacids" RELATED [ChEBI] is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:36278 name: cholanic acids namespace: chebi_ontology alt_id: CHEBI:23166 alt_id: CHEBI:23211 subset: 1_STAR is_a: CHEBI:36078 ! cholanoid is_a: CHEBI:47891 ! steroid acid [Term] id: CHEBI:36299 name: tricarboxylic acid monoanion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylic acid monoanions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] id: CHEBI:36300 name: tricarboxylic acid dianion namespace: chebi_ontology subset: 3_STAR synonym: "tricarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35753 ! tricarboxylic acid anion [Term] id: CHEBI:36306 name: icosa-5,8,11,14-tetraenoic acid namespace: chebi_ontology def: "Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14." [] subset: 3_STAR synonym: "5,8,11,14-20:4" RELATED [ChEBI] synonym: "5,8,11,14-eicosatetraenoic acid" RELATED [ChEBI] synonym: "5,8,11,14-eicosatetraenoic acids" RELATED [ChEBI] synonym: "5,8,11,14-icosatetraenoic acid" RELATED [ChEBI] synonym: "5,8,11,14-icosatetraenoic acids" RELATED [ChEBI] synonym: "C20:4, n-6,9,12,15" RELATED [ChEBI] synonym: "eicosa-5,8,11,14-tetraenoic acid" RELATED [ChEBI] synonym: "eicosa-5,8,11,14-tetraenoic acids" RELATED [ChEBI] synonym: "icosa-5,8,11,14-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "icosa-5,8,11,14-tetraenoic acids" RELATED [ChEBI] xref: LINCS:LSM-6527 is_a: CHEBI:36033 ! icosatetraenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZXBAPSDXZZRGB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.46688" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CCCC(O)=O)=CCC([H])=CCC([H])=CCC([H])=CCCCCC" xsd:string [Term] id: CHEBI:36309 name: cyclic tetrapyrrole namespace: chebi_ontology subset: 3_STAR synonym: "cyclic tetrapyrroles" RELATED [ChEBI] synonym: "macrocyclic tetrapyrrole" RELATED [ChEBI] synonym: "macrocyclic tetrapyrroles" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26932 ! tetrapyrrole is_a: CHEBI:47882 ! cyclic polypyrrole [Term] id: CHEBI:36313 name: glycerophosphocholine namespace: chebi_ontology alt_id: CHEBI:26698 alt_id: CHEBI:35763 def: "The glycerol phosphate ester of a phosphocholine. A nutrient with many different roles in human health." [] subset: 3_STAR synonym: "glycerophosphocholines" RELATED [ChEBI] xref: PMID:8467564 {source="Europe PMC"} is_a: CHEBI:36700 ! phosphocholines is_a: CHEBI:37739 ! glycerophospholipid [Term] id: CHEBI:36326 name: octadecanoid namespace: chebi_ontology def: "Unsaturated C18 fatty acids and skeletally related compounds." [] subset: 3_STAR synonym: "octadecanoids" RELATED [ChEBI] is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:27208 ! unsaturated fatty acid relationship: is_conjugate_acid_of CHEBI:131860 ! octadecanoid anion [Term] id: CHEBI:36329 name: HPODE namespace: chebi_ontology def: "Hydroperoxy-octadecadienoic acids, formed in mammalian cells by peroxidation of linoleic acid." [] subset: 3_STAR synonym: "HPODEs" RELATED [ChEBI] xref: PMID:23680403 {source="Europe PMC"} is_a: CHEBI:189832 ! hydroperoxy polyunsaturated fatty acid is_a: CHEBI:36326 ! octadecanoid relationship: has_functional_parent CHEBI:17351 ! linoleic acid relationship: is_conjugate_acid_of CHEBI:131862 ! HPODE(1-) [Term] id: CHEBI:36333 name: local anaesthetic namespace: chebi_ontology def: "Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block." [] subset: 3_STAR synonym: "anesthesique local" RELATED [ChEBI] synonym: "local anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "local anaesthetics" RELATED [ChEBI] synonym: "local anesthetics" RELATED [ChEBI] synonym: "Lokalanaesthetikum" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic [Term] id: CHEBI:36335 name: trypanocidal drug namespace: chebi_ontology def: "A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida." [] subset: 3_STAR synonym: "antitrypanosomal agent" RELATED [ChEBI] synonym: "antitrypanosomal agents" RELATED [ChEBI] synonym: "antitrypanosomal drug" RELATED [ChEBI] synonym: "antitrypanosomal drugs" RELATED [ChEBI] synonym: "trypanocidal drugs" RELATED [ChEBI] synonym: "trypanocide" RELATED [ChEBI] synonym: "trypanosomicidal agents" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:36336 name: naphthalenesulfonic acid namespace: chebi_ontology subset: 3_STAR synonym: "naphthalenesulfonic acids" RELATED [ChEBI] is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:33555 ! arenesulfonic acid [Term] id: CHEBI:36337 name: strychnidine namespace: chebi_ontology subset: 3_STAR synonym: "strychnidine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:44534 {source="Beilstein"} is_a: CHEBI:26509 ! quinoline alkaloid is_a: CHEBI:38482 ! indole alkaloid fundamental parent is_a: CHEBI:38514 ! quinoline alkaloid fundamental parent is_a: CHEBI:52157 ! organic heteroheptacyclic compound is_a: CHEBI:65323 ! monoterpenoid indole alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H24N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H24N2O/c1-2-4-16-15(3-1)21-7-9-22-12-13-6-10-24-17-5-8-23(16)20(21)19(17)14(13)11-18(21)22/h1-4,6,14,17-20H,5,7-12H2/t14-,17-,18-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGRTUYYPROFOFX-ZMUQRAOQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.42814" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.18886" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCN3c4ccccc4[C@]45CCN6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H]" xsd:string [Term] id: CHEBI:36338 name: lepton namespace: chebi_ontology def: "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." [] subset: 3_STAR synonym: "leptons" RELATED [ChEBI] is_a: CHEBI:33233 ! fundamental particle is_a: CHEBI:36340 ! fermion [Term] id: CHEBI:36339 name: baryon namespace: chebi_ontology def: "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." [] subset: 3_STAR synonym: "baryons" RELATED [ChEBI] is_a: CHEBI:36340 ! fermion is_a: CHEBI:36344 ! hadron [Term] id: CHEBI:36340 name: fermion namespace: chebi_ontology def: "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." [] subset: 3_STAR synonym: "fermion" EXACT IUPAC_NAME [IUPAC] synonym: "fermions" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36341 name: boson namespace: chebi_ontology def: "Particle of integer spin quantum number following Bose-Einstein statistics. Bosons are named after Satyendra Nath Bose." [] subset: 3_STAR synonym: "boson" EXACT IUPAC_NAME [IUPAC] synonym: "bosons" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36342 name: subatomic particle namespace: chebi_ontology def: "A particle smaller than an atom." [] subset: 3_STAR synonym: "subatomic particles" RELATED [ChEBI] xref: Wikipedia:Subatomic_particle is_a: BFO:0000040 ! material entity [Term] id: CHEBI:36343 name: composite particle namespace: chebi_ontology def: "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." [] subset: 3_STAR synonym: "composite particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36344 name: hadron namespace: chebi_ontology def: "Hadron is a subatomic particle which experiences the strong force." [] subset: 3_STAR synonym: "hadrons" RELATED [ChEBI] is_a: CHEBI:36343 ! composite particle [Term] id: CHEBI:36347 name: nuclear particle namespace: chebi_ontology def: "A nucleus or any of its constituents in any of their energy states." [] subset: 3_STAR synonym: "nuclear particle" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36342 ! subatomic particle [Term] id: CHEBI:36357 name: polyatomic entity namespace: chebi_ontology def: "Any molecular entity consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic entities" RELATED [ChEBI] is_a: CHEBI:23367 ! molecular entity relationship: has_part CHEBI:24433 ! group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36358 name: polyatomic ion namespace: chebi_ontology def: "An ion consisting of more than one atom." [] subset: 3_STAR synonym: "polyatomic ions" RELATED [ChEBI] is_a: CHEBI:24870 ! ion is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36359 name: phosphorus oxoacid derivative namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus oxoacid derivative" EXACT [ChEBI] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:36360 ! phosphorus oxoacids and derivatives relationship: has_functional_parent CHEBI:33457 ! phosphorus oxoacid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36360 name: phosphorus oxoacids and derivatives namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26082 ! phosphorus molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36361 name: phosphorous acid namespace: chebi_ontology alt_id: CHEBI:26081 alt_id: CHEBI:29196 subset: 3_STAR synonym: "[P(OH)3]" RELATED [IUPAC] synonym: "H3PO3" RELATED [NIST_Chemistry_WebBook] synonym: "H3PO3" RELATED [IUPAC] synonym: "P(OH)3" RELATED [IUPAC] synonym: "phosphite" RELATED [UniProt] synonym: "phosphorige Saeure" RELATED [ChEBI] synonym: "phosphorous acid" EXACT [IUPAC] synonym: "trihydrogen trioxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphoric(3-) acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:10294-56-1 {source="ChemIDplus"} xref: CAS:10294-56-1 {source="NIST Chemistry WebBook"} xref: Gmelin:164068 {source="Gmelin"} is_a: CHEBI:33457 ! phosphorus oxoacid relationship: is_conjugate_acid_of CHEBI:29258 ! dihydrogenphosphite relationship: is_tautomer_of CHEBI:44976 ! phosphonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O3P/c1-4(2)3/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OJMIONKXNSYLSR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.99578" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.98198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(O[H])O[H]" xsd:string [Term] id: CHEBI:36364 name: alkaline earth salt namespace: chebi_ontology subset: 3_STAR synonym: "alkaline earth salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt is_a: CHEBI:33299 ! alkaline earth molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3638 name: chloroquine namespace: chebi_ontology def: "An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis." [] subset: 3_STAR synonym: "Aralen" RELATED BRAND_NAME [DrugBank] synonym: "Artrichin" RELATED BRAND_NAME [DrugBank] synonym: "Bemaphate" RELATED BRAND_NAME [DrugBank] synonym: "Capquin" RELATED BRAND_NAME [DrugBank] synonym: "Chlorochin" RELATED [ChemIDplus] synonym: "Chloroquine" EXACT [KEGG_COMPOUND] synonym: "chloroquine" RELATED INN [WHO_MedNet] synonym: "chloroquine" RELATED INN [ChemIDplus] synonym: "chloroquinum" RELATED INN [ChemIDplus] synonym: "cloroquina" RELATED INN [ChemIDplus] synonym: "N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine" RELATED [NIST_Chemistry_WebBook] synonym: "N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "Nivaquine B" RELATED BRAND_NAME [DrugBank] synonym: "Resoquine" RELATED BRAND_NAME [DrugBank] synonym: "Reumachlor" RELATED BRAND_NAME [DrugBank] synonym: "Sanoquin" RELATED BRAND_NAME [DrugBank] xref: Beilstein:482809 {source="Beilstein"} xref: CAS:54-05-7 {source="NIST Chemistry WebBook"} xref: CAS:54-05-7 {source="ChemIDplus"} xref: CAS:54-05-7 {source="KEGG COMPOUND"} xref: Drug_Central:607 {source="DrugCentral"} xref: DrugBank:DB00608 xref: Gmelin:781126 {source="Gmelin"} xref: HMDB:HMDB0014746 xref: KEGG:C07625 xref: KEGG:D02366 xref: LINCS:LSM-1901 xref: Patent:DE683692 xref: Patent:US2233970 xref: PDBeChem:CLQ xref: PMID:11198399 {source="Europe PMC"} xref: PMID:17594118 {source="Europe PMC"} xref: PMID:18052874 {source="Europe PMC"} xref: PMID:19426658 {source="Europe PMC"} xref: PMID:23288916 {source="Europe PMC"} xref: PMID:23580861 {source="Europe PMC"} xref: PMID:23635029 {source="Europe PMC"} xref: PMID:23644906 {source="Europe PMC"} xref: PMID:23706562 {source="Europe PMC"} xref: PMID:23852712 {source="Europe PMC"} xref: PMID:23891850 {source="Europe PMC"} xref: PMID:25285162 {source="Europe PMC"} xref: Reaxys:482809 {source="Reaxys"} xref: Wikipedia:Chloroquine is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:36709 ! aminoquinoline is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:35842 ! antirheumatic drug relationship: has_role CHEBI:38068 ! antimalarial relationship: has_role CHEBI:50177 ! dermatologic drug relationship: has_role CHEBI:88230 ! autophagy inhibitor relationship: is_conjugate_base_of CHEBI:149484 ! chloroquine(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H26ClN3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHTVZRBIWZFKQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "319.87200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.18153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12" xsd:string [Term] id: CHEBI:36387 name: chloroalkene namespace: chebi_ontology def: "A compound derived from an alkene by replacing a hydrogen atom with a chlorine atom." [] subset: 3_STAR synonym: "chloroalkenes" RELATED [ChEBI] is_a: CHEBI:39482 ! chloroolefin is_a: CHEBI:5610 ! haloalkene [Term] id: CHEBI:36388 name: saturated organic heterocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "saturated heterocyclic parent hydride" RELATED [ChEBI] synonym: "saturated heterocyclic parent hydrides" RELATED [ChEBI] synonym: "saturated organic heterocyclic parents" RELATED [ChEBI] is_a: CHEBI:35552 ! heterocyclic organic fundamental parent [Term] id: CHEBI:36389 name: saturated organic heteromonocyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "saturated heteromonocyclic parent hydride" RELATED [ChEBI] synonym: "saturated heteromonocyclic parent hydrides" RELATED [ChEBI] synonym: "saturated organic heteromonocyclic parents" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:36388 ! saturated organic heterocyclic parent [Term] id: CHEBI:3639 name: chlorothalonil namespace: chebi_ontology def: "A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops." [] subset: 3_STAR synonym: "1,3-Dicyanotetrachlorobenzene" RELATED [ChemIDplus] synonym: "2,4,5,6-Tetrachloro-3-cyanobenzonitrile" RELATED [ChemIDplus] synonym: "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorothalonil" EXACT [KEGG_COMPOUND] synonym: "chlorothalonil" EXACT [UniProt] synonym: "Daconil" RELATED BRAND_NAME [KEGG_COMPOUND] synonym: "m-TCPN" RELATED [ChemIDplus] synonym: "m-Tetrachlorophthalonitrile" RELATED [ChemIDplus] synonym: "meta-TCPN" RELATED [ChemIDplus] synonym: "meta-Tetrachlorophthalodinitrile" RELATED [ChemIDplus] synonym: "Tetrachloroisophthalonitrile" RELATED [KEGG_COMPOUND] synonym: "TPN" RELATED [KEGG_COMPOUND] xref: Beilstein:1978326 {source="Beilstein"} xref: CAS:1897-45-6 {source="NIST Chemistry WebBook"} xref: CAS:1897-45-6 {source="KEGG COMPOUND"} xref: KEGG:C11037 xref: Patent:US3290353 xref: Patent:US3652637 xref: Pesticides:chlorothalonil {source="Alan Wood's Pesticides"} xref: PMID:11016668 {source="Europe PMC"} xref: PMID:14575671 {source="Europe PMC"} xref: PMID:17482661 {source="Europe PMC"} xref: PMID:23116300 {source="Europe PMC"} xref: PMID:23866729 {source="Europe PMC"} xref: PMID:24455968 {source="Europe PMC"} xref: PMID:24984836 {source="Europe PMC"} xref: PMID:24990551 {source="Europe PMC"} xref: PPDB:150 xref: Reaxys:1978326 {source="Reaxys"} xref: Wikipedia:Chlorothalonil is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:51308 ! dinitrile is_a: CHEBI:87034 ! aromatic fungicide relationship: has_functional_parent CHEBI:38218 ! isophthalonitrile relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8Cl4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CRQQGFGUEAVUIL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.90988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.88156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl" xsd:string [Term] id: CHEBI:36401 name: cycloalkadiene namespace: chebi_ontology def: "An unsaturated monocyclic hydrocarbon having two endocyclic double bonds." [] subset: 3_STAR synonym: "cycloalkadiene" EXACT IUPAC_NAME [IUPAC] synonym: "cycloalkadienes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36403 ! monocyclic olefin [Term] id: CHEBI:36403 name: monocyclic olefin namespace: chebi_ontology def: "A monocyclic hydrocarbon having any number of double bonds." [] subset: 3_STAR synonym: "monocyclic olefins" RELATED [ChEBI] is_a: CHEBI:33642 ! cyclic olefin [Term] id: CHEBI:36404 name: cyclohexene namespace: chebi_ontology def: "A cycloalkene that is cylohexane with a single double bond." [] subset: 3_STAR synonym: "1,2,3,4-tetrahydrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1-cyclohexene" RELATED [NIST_Chemistry_WebBook] synonym: "3,4,5,6-tetrahydrobenzene" RELATED [ChemIDplus] synonym: "benzene tetrahydride" RELATED [NIST_Chemistry_WebBook] synonym: "benzenetetrahydride" RELATED [ChemIDplus] synonym: "cyclohex-1-ene" RELATED [NIST_Chemistry_WebBook] synonym: "cyclohexene" EXACT IUPAC_NAME [IUPAC] synonym: "tetrahydrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "Zyklohexen" RELATED [ChEBI] xref: Beilstein:906737 {source="Beilstein"} xref: CAS:110-83-8 {source="ChemIDplus"} xref: CAS:110-83-8 {source="NIST Chemistry WebBook"} xref: Gmelin:1659 {source="Gmelin"} xref: PMID:24227283 {source="Europe PMC"} xref: Reaxys:906737 {source="Reaxys"} xref: Wikipedia:Cyclohexene is_a: CHEBI:33643 ! cycloalkene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HGCIXCUEYOPUTN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "82.14360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "82.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCC=CC1" xsd:string [Term] id: CHEBI:36416 name: mancude organic heterotricyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "mancude organic heterotricyclic parents" RELATED [ChEBI] synonym: "mancude-ring organic heterotricyclic parents" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:35571 ! mancude organic heterocyclic parent [Term] id: CHEBI:36505 name: labdane namespace: chebi_ontology subset: 3_STAR synonym: "labdane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6774712 {source="Beilstein"} is_a: CHEBI:35190 ! diterpene is_a: CHEBI:35662 ! terpenoid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H38" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18+,20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LEWJAHURGICVRE-AISVETHESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.29735" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CC[C@@]2([C@@H](CC[C@@H](CC)C)[C@H](CC[C@@]2([H])C1(C)C)C)C" xsd:string [Term] id: CHEBI:36560 name: zinc oxide namespace: chebi_ontology alt_id: CHEBI:30186 alt_id: CHEBI:32311 subset: 3_STAR synonym: "oxido de cinc" RELATED [ChEBI] synonym: "oxyde de zinc" RELATED [ChEBI] synonym: "zinc oxide" EXACT IUPAC_NAME [IUPAC] synonym: "Zinkoxid" RELATED [ChEBI] synonym: "ZnO" RELATED [IUPAC] xref: CAS:1314-13-2 {source="ChemIDplus"} xref: CAS:1314-13-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:4240 {source="DrugCentral"} xref: Gmelin:13738 {source="Gmelin"} xref: KEGG:D01170 xref: PPDB:1321 xref: Wikipedia:Zinc_Oxide is_a: CHEBI:27364 ! zinc molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "OZn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O.Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLOMVQKBTHCTTD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.38940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.92406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Zn]" xsd:string [Term] id: CHEBI:36562 name: main-group coordination entity namespace: chebi_ontology def: "A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table." [] subset: 3_STAR synonym: "main group coordination compounds" RELATED [ChEBI] synonym: "main-group coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33579 ! main group molecular entity [Term] id: CHEBI:36563 name: zinc group coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc group coordination compounds" RELATED [ChEBI] synonym: "zinc group coordination entities" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33673 ! zinc group molecular entity [Term] id: CHEBI:36566 name: zinc coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "zinc coordination compounds" RELATED [ChEBI] synonym: "zinc coordination entities" RELATED [ChEBI] is_a: CHEBI:27364 ! zinc molecular entity is_a: CHEBI:36563 ! zinc group coordination entity [Term] id: CHEBI:36586 name: carbonyl compound namespace: chebi_ontology def: "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives." [] subset: 3_STAR synonym: "carbonyl compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36587 ! organic oxo compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23019 ! carbonyl group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36587 name: organic oxo compound namespace: chebi_ontology def: "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element." [] subset: 3_STAR synonym: "organic oxo compounds" RELATED [ChEBI] synonym: "oxo compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:72695 ! organic molecule relationship: has_part CHEBI:46629 ! oxo group property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36604 name: metal carbonyl namespace: chebi_ontology def: "A coordination entity that is coordination complex of a metals with one or more carbon monoxide ligands." [] subset: 3_STAR synonym: "metal carbonyls" EXACT IUPAC_NAME [IUPAC] synonym: "metal carbonyls" RELATED [ChEBI] xref: Wikipedia:Metal_carbonyl is_a: CHEBI:33240 ! coordination entity [Term] id: CHEBI:36605 name: phthalic anhydride namespace: chebi_ontology def: "The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid." [] subset: 3_STAR synonym: "1,2-benzenedicarboxylic acid anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-dioxophthalan" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-isobenzofurandione" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-phthalandione" RELATED [ChemIDplus] synonym: "2-benzofuran-1,3-dione" EXACT IUPAC_NAME [IUPAC] synonym: "o-phthalic acid anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "ortho-phthalic acid anhydride" RELATED [ChEBI] synonym: "phthalic anhydride" EXACT [ChemIDplus] synonym: "Phthalsaeureanhydrid" RELATED [ChEBI] xref: Beilstein:118515 {source="Beilstein"} xref: CAS:85-44-9 {source="NIST Chemistry WebBook"} xref: CAS:85-44-9 {source="ChemIDplus"} xref: Gmelin:27200 {source="Gmelin"} xref: PMID:12269934 {source="Europe PMC"} xref: PMID:1447476 {source="Europe PMC"} xref: PMID:21901887 {source="Europe PMC"} xref: PMID:21902644 {source="Europe PMC"} xref: PMID:22222149 {source="Europe PMC"} xref: PMID:22883110 {source="Europe PMC"} xref: PMID:22887795 {source="Europe PMC"} xref: PMID:23549605 {source="Europe PMC"} xref: PMID:23680900 {source="Europe PMC"} xref: Reaxys:118515 {source="Reaxys"} xref: Wikipedia:Phthalic_anhydride is_a: CHEBI:36609 ! cyclic dicarboxylic anhydride is_a: CHEBI:38831 ! 2-benzofurans relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGRFSURHDFAFJT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "148.11556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1OC(=O)c2ccccc12" xsd:string [Term] id: CHEBI:36606 name: acid anhydride namespace: chebi_ontology def: "Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl." [] subset: 3_STAR synonym: "acid anhydride" EXACT [IUPAC] synonym: "acid anhydrides" EXACT IUPAC_NAME [IUPAC] synonym: "acid anhydrides" RELATED [ChEBI] synonym: "anhydride d'acide" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:36607 name: cyclic acid anhydride namespace: chebi_ontology def: "Acid anhydrides derived by loss of water between two oxoacid functions RkE(=O)l(OH)m (l =/= 0) (carboxylic, sulfonic, etc.) in the same molecule so as to close a ring." [] subset: 3_STAR synonym: "cyclic acid anhydrides" EXACT IUPAC_NAME [IUPAC] synonym: "cyclic acid anhydrides" RELATED [ChEBI] synonym: "cyclic anhydrides" RELATED [IUPAC] is_a: CHEBI:36606 ! acid anhydride [Term] id: CHEBI:36608 name: acyclic acid anhydride namespace: chebi_ontology subset: 3_STAR synonym: "acyclic acid anhydride" EXACT [ChEBI] synonym: "acyclic acid anhydrides" EXACT IUPAC_NAME [IUPAC] synonym: "acyclic acid anhydrides" RELATED [ChEBI] synonym: "acyclic anhydrides" RELATED [IUPAC] is_a: CHEBI:36606 ! acid anhydride [Term] id: CHEBI:36609 name: cyclic dicarboxylic anhydride namespace: chebi_ontology def: "An acid anhydride derived by loss of water between two carboxylic groups in the same molecule so as to close a ring." [] subset: 3_STAR synonym: "cyclic carboxylic acid anhydrides" RELATED [ChEBI] synonym: "cyclic carboxylic anhydride" RELATED [ChEBI] synonym: "cyclic dicarboxylic anhydrides" RELATED [ChEBI] is_a: CHEBI:35873 ! carboxylic anhydride is_a: CHEBI:36607 ! cyclic acid anhydride [Term] id: CHEBI:36610 name: acetic anhydride namespace: chebi_ontology def: "An acyclic carboxylic anhydride derived from acetic acid." [] subset: 3_STAR synonym: "(CH3CO)2O" RELATED [ChEBI] synonym: "(MeCO)2O" RELATED [ChEBI] synonym: "Ac2O" RELATED [ChEBI] synonym: "acetanhydride" RELATED [NIST_Chemistry_WebBook] synonym: "acetic acid anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "acetic anhydride" EXACT IUPAC_NAME [IUPAC] synonym: "acetyl acetate" RELATED [HMDB] synonym: "acetyl oxide" RELATED [ChemIDplus] synonym: "anhydride acetique" RELATED [ChEBI] synonym: "Essigsaeureanhydrid" RELATED [ChEBI] synonym: "ethanoic anhydrate" RELATED [NIST_Chemistry_WebBook] synonym: "ethanoic anhydride" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:385737 {source="Beilstein"} xref: CAS:108-24-7 {source="ChemIDplus"} xref: CAS:108-24-7 {source="NIST Chemistry WebBook"} xref: Gmelin:26415 {source="Gmelin"} xref: HMDB:HMDB0031646 xref: PMID:25704707 {source="Europe PMC"} xref: PMID:25857991 {source="Europe PMC"} xref: PMID:26139873 {source="Europe PMC"} xref: PMID:26256347 {source="Europe PMC"} xref: Reaxys:385737 {source="Reaxys"} xref: Wikipedia:Acetic_anhydride is_a: CHEBI:36631 ! acyclic carboxylic anhydride relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:33893 ! reagent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFDIJRYMOXRFFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.08864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)OC(C)=O" xsd:string [Term] id: CHEBI:36615 name: triterpenoid namespace: chebi_ontology alt_id: CHEBI:27151 alt_id: CHEBI:9748 def: "Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "Triterpenoid" EXACT [] synonym: "triterpenoides" RELATED [] synonym: "triterpenoids" RELATED [] xref: KEGG:C06085 is_a: CHEBI:26873 ! terpenoid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:36616 name: quinoxaline namespace: chebi_ontology def: "A naphthyridine in which the nitrogens are at positions 1 and 4." [] subset: 3_STAR synonym: "1,4-benzodiazine" RELATED [ChemIDplus] synonym: "1,4-diazanaphthalene" RELATED [ChemIDplus] synonym: "1,4-naphthyridine" RELATED [NIST_Chemistry_WebBook] synonym: "benzo[a]pyrazine" RELATED [NIST_Chemistry_WebBook] synonym: "benzoparadiazine" RELATED [ChemIDplus] synonym: "benzopyrazine" RELATED [ChEBI] synonym: "Chinoxalin" RELATED [ChEBI] synonym: "quinoxaline" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:109351 {source="Beilstein"} xref: CAS:91-19-0 {source="KEGG COMPOUND"} xref: CAS:91-19-0 {source="NIST Chemistry WebBook"} xref: CAS:91-19-0 {source="ChemIDplus"} xref: Gmelin:82755 {source="Gmelin"} xref: KEGG:C18575 xref: PMID:16406213 {source="Europe PMC"} xref: PMID:24328679 {source="Europe PMC"} xref: PMID:24476762 {source="Europe PMC"} xref: PMID:27349448 {source="Europe PMC"} xref: Reaxys:109351 {source="Reaxys"} xref: Wikipedia:Quinoxaline is_a: CHEBI:36624 ! naphthyridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSCHRSMBECNVNS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.14672" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.05310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2nccnc2c1" xsd:string [Term] id: CHEBI:36622 name: benzimidazole namespace: chebi_ontology def: "A mancude organic heterobicyclic parent that is a heterocyclic organic compound comprising fused benzene and imidazole rings." [] subset: 3_STAR synonym: "Benzimidazol" RELATED [ChEBI] synonym: "benzimidazole" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Benzimidazole is_a: CHEBI:22715 ! benzimidazoles is_a: CHEBI:35570 ! mancude organic heterobicyclic parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05310" xsd:string [Term] id: CHEBI:36623 name: 4H-benzimidazole namespace: chebi_ontology subset: 3_STAR synonym: "4H-benzimidazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36622 ! benzimidazole relationship: is_tautomer_of CHEBI:36639 ! 2H-benzimidazole relationship: is_tautomer_of CHEBI:36641 ! 3aH-benzimidazole relationship: is_tautomer_of CHEBI:41275 ! 1H-benzimidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5H,4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSTRESXSGAUGKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.13602" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CC=C2N=CN=C12" xsd:string [Term] id: CHEBI:36624 name: naphthyridine namespace: chebi_ontology def: "Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class." [] subset: 3_STAR synonym: "naphthyridine" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Naphthyridine is_a: CHEBI:35570 ! mancude organic heterobicyclic parent is_a: CHEBI:50893 ! azaarene is_a: CHEBI:52362 ! ortho-fused heteroarene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.147" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.05310" xsd:string [Term] id: CHEBI:36631 name: acyclic carboxylic anhydride namespace: chebi_ontology subset: 3_STAR synonym: "acyclic carboxylic acid anhydrides" EXACT IUPAC_NAME [IUPAC] synonym: "acyclic carboxylic anhydride" EXACT [ChEBI] synonym: "acyclic carboxylic anhydrides" RELATED [ChEBI] is_a: CHEBI:35873 ! carboxylic anhydride is_a: CHEBI:36608 ! acyclic acid anhydride [Term] id: CHEBI:36639 name: 2H-benzimidazole namespace: chebi_ontology subset: 3_STAR synonym: "2H-benzimidazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36622 ! benzimidazole relationship: is_tautomer_of CHEBI:36623 ! 4H-benzimidazole relationship: is_tautomer_of CHEBI:36641 ! 3aH-benzimidazole relationship: is_tautomer_of CHEBI:41275 ! 1H-benzimidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLMVLMCSXDIGSW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.13602" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1N=c2ccccc2=N1" xsd:string [Term] id: CHEBI:36641 name: 3aH-benzimidazole namespace: chebi_ontology subset: 3_STAR synonym: "3aH-benzimidazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36622 ! benzimidazole relationship: is_tautomer_of CHEBI:36623 ! 4H-benzimidazole relationship: is_tautomer_of CHEBI:36639 ! 2H-benzimidazole relationship: is_tautomer_of CHEBI:41275 ! 1H-benzimidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VRKAZVNMMPXRKG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.13602" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC2N=CN=C2C=C1" xsd:string [Term] id: CHEBI:36651 name: tellurium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "tellurium coordination compounds" RELATED [ChEBI] synonym: "tellurium coordination entities" RELATED [ChEBI] synonym: "tellurium coordination entity" EXACT [ChEBI] is_a: CHEBI:33305 ! tellurium molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:36660 name: elemental tellurium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33305 ! tellurium molecular entity [Term] id: CHEBI:36668 name: aluminium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "aluminium coordination compounds" RELATED [ChEBI] synonym: "aluminium coordination entities" RELATED [ChEBI] synonym: "aluminium coordination entity" EXACT [ChEBI] synonym: "aluminum coordination compounds" RELATED [ChEBI] is_a: CHEBI:33620 ! aluminium molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:36682 name: polychlorinated dibenzodioxine namespace: chebi_ontology def: "Any dibenzodioxine in which two or more hydrogens have been replaced by chlorines." [] subset: 3_STAR synonym: "dioxin" RELATED [ChEBI] synonym: "dioxins" RELATED [ChEBI] synonym: "PCDD" RELATED [ChEBI] synonym: "PCDDs" RELATED [ChEBI] synonym: "polychlorinated dibenzodioxines" RELATED [ChEBI] synonym: "polychlorinated dibenzodioxins" RELATED [ChEBI] xref: Wikipedia:Polychlorinated_dibenzodioxins is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds is_a: CHEBI:23825 ! dibenzodioxine is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:36683 name: organochlorine compound namespace: chebi_ontology def: "An organochlorine compound is a compound containing at least one carbon-chlorine bond." [] subset: 3_STAR synonym: "an organochlorine molecule" RELATED [UniProt] synonym: "chloroorganic compounds" RELATED [ChEBI] synonym: "chlororganische Verbindungen" RELATED [ChEBI] synonym: "organochloride" RELATED [ChEBI] synonym: "organochloride compound" RELATED [ChEBI] synonym: "organochloride compounds" RELATED [ChEBI] synonym: "organochlorides" RELATED [ChEBI] synonym: "organochlorine compound" EXACT [ChEBI] synonym: "organochlorine compounds" RELATED [ChEBI] xref: MetaCyc:Chlorides xref: Wikipedia:Organochloride is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:17996 ! chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*Cl" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36685 name: chlorocarboxylic acid namespace: chebi_ontology def: "A carboxylic acid containing at least one chloro group." [] subset: 3_STAR synonym: "chlorocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:36686 name: chloroarene namespace: chebi_ontology def: "A compound derived from an arene by replacing a hydrogen atom with a chlorine atom." [] subset: 3_STAR synonym: "aryl chloride" RELATED [ChEBI] synonym: "aryl chlorides" RELATED [ChEBI] synonym: "chloroarenes" RELATED [ChEBI] is_a: CHEBI:23115 ! chlorohydrocarbon is_a: CHEBI:50887 ! haloarene [Term] id: CHEBI:36687 name: acyl chloride namespace: chebi_ontology def: "A compound consisting of an acyl group bonded to chlorine." [] subset: 3_STAR synonym: "acid chloride" RELATED [ChEBI] synonym: "acyl chlorides" RELATED [ChEBI] is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37579 ! acyl halide [Term] id: CHEBI:36688 name: heterotricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterotricyclic compound" EXACT [ChEBI] synonym: "heterotricyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:33671 ! heteropolycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36693 name: 1,3-dichlorobenzene namespace: chebi_ontology def: "A dichlorobenzene carrying chloro substituents at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-dichlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "m-dichlorobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "m-phenylene dichloride" RELATED [NIST_Chemistry_WebBook] synonym: "meta-Dichlorobenzene" RELATED [KEGG_COMPOUND] synonym: "meta-dichlorobenzene" RELATED [ChemIDplus] synonym: "metadichlorobenzene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:956618 {source="Beilstein"} xref: CAS:541-73-1 {source="ChemIDplus"} xref: CAS:541-73-1 {source="NIST Chemistry WebBook"} xref: CAS:541-73-1 {source="KEGG COMPOUND"} xref: Gmelin:142106 {source="Gmelin"} xref: HMDB:HMDB0059855 xref: KEGG:C19397 xref: PMID:1352205 {source="Europe PMC"} xref: PMID:22283148 {source="Europe PMC"} xref: PMID:3952733 {source="Europe PMC"} xref: PMID:4035682 {source="Europe PMC"} xref: PMID:6470924 {source="Europe PMC"} xref: Reaxys:956618 {source="Reaxys"} is_a: CHEBI:23697 ! dichlorobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZPQOPVIELGIULI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.00136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(Cl)c1" xsd:string [Term] id: CHEBI:36699 name: corticosteroid hormone namespace: chebi_ontology def: "Any of a class of steroid hormones that are produced in the adrenal cortex." [] subset: 3_STAR synonym: "adrenal cortex hormones" RELATED [ChEBI] synonym: "corticosteroid hormones" RELATED [ChEBI] is_a: CHEBI:26764 ! steroid hormone is_a: CHEBI:50858 ! corticosteroid [Term] id: CHEBI:36700 name: phosphocholines namespace: chebi_ontology def: "Any compound having phosphocholine as part of its structure." [] subset: 3_STAR synonym: "choline phosphates" RELATED [ChEBI] synonym: "O-phosphocholines" RELATED [ChEBI] synonym: "phosphorylcholines" RELATED [ChEBI] is_a: CHEBI:23213 ! choline ester is_a: CHEBI:23217 ! cholines is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:36702 name: 2-acyl-1-alkyl-sn-glycero-3-phosphocholine namespace: chebi_ontology alt_id: CHEBI:11498 alt_id: CHEBI:19008 alt_id: CHEBI:19436 alt_id: CHEBI:58666 def: "An alkyl,acyl-sn-glycero-3-phosphocholine in which unspecified alkyl and acyl groups are located at positions 1 and 2 respectively." [] subset: 3_STAR synonym: "1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine" RELATED [UniProt] synonym: "1-Organyl-2-acyl-sn-glycero-3-phosphocholine" RELATED [KEGG_COMPOUND] synonym: "1-Radyl-2-acyl-sn-glycero-3-phosphocholine" RELATED [KEGG_COMPOUND] synonym: "2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaines" RELATED [ChEBI] synonym: "2-acyl-1-alkyl-sn-glycero-3-phosphocholines" RELATED [ChEBI] xref: KEGG:C05212 is_a: CHEBI:35284 ! ammonium betaine is_a: CHEBI:68489 ! alkyl,acyl-sn-glycero-3-phosphocholine is_a: CHEBI:78186 ! 1-alkyl-2-acyl-glycero-3-phosphocholine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18NO7PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.21550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.08209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](CO[*])OC([*])=O" xsd:string [Term] id: CHEBI:36707 name: 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine namespace: chebi_ontology alt_id: CHEBI:11238 alt_id: CHEBI:11496 alt_id: CHEBI:19004 alt_id: CHEBI:19434 alt_id: CHEBI:595 alt_id: CHEBI:63915 def: "A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine where the 2-O-acyl group is specified as acetyl; a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis." [] subset: 3_STAR synonym: "1-Alkyl-2-acetyl-sn-glycero-3-phosphocholine" RELATED [KEGG_COMPOUND] synonym: "1-alkyl-2-acetyl-sn-glycero-3-phosphocholines" RELATED [ChEBI] synonym: "2-acetyl-1-alkyl-sn-glycero-3-phosphocholine zwitterion" RELATED [ChEBI] synonym: "a 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine" RELATED [UniProt] synonym: "platelet-activating factor" RELATED [ChEBI] xref: KEGG:C04598 xref: PMID:7639802 {source="Europe PMC"} is_a: CHEBI:36702 ! 2-acyl-1-alkyl-sn-glycero-3-phosphocholine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H21NO7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "298.25000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.10556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)O[C@H](CO[*])COP([O-])(=O)OCC[N+](C)(C)C" xsd:string [Term] id: CHEBI:36709 name: aminoquinoline namespace: chebi_ontology def: "Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups." [] subset: 3_STAR synonym: "aminoquinoline" EXACT [ChEBI] synonym: "aminoquinolines" RELATED [ChEBI] is_a: CHEBI:26513 ! quinolines is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:36718 name: dichlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H8Cl2." [] subset: 3_STAR synonym: "dichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.09732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00031" xsd:string [Term] id: CHEBI:36719 name: trichlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H7Cl3." [] subset: 3_STAR synonym: "trichloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "trichlorobiphenyls" RELATED [ChEBI] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.54208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.96133" xsd:string [Term] id: CHEBI:36720 name: tetrachlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H6Cl4." [] subset: 3_STAR synonym: "tetrachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string [Term] id: CHEBI:36721 name: pentachlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H5Cl5." [] subset: 3_STAR synonym: "pentachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "pentachlorobiphenyls" RELATED [ChEBI] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string [Term] id: CHEBI:36722 name: hexachlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H4Cl6." [] subset: 3_STAR synonym: "hexachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "hexachlorobiphenyls" RELATED [ChEBI] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string [Term] id: CHEBI:36740 name: alpha-pinene namespace: chebi_ontology alt_id: CHEBI:10326 alt_id: CHEBI:22467 def: "A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively." [] subset: 3_STAR synonym: "(+-)-2-pinene" RELATED [UM-BBD] synonym: "(+-)-alpha-pinene" RELATED [UM-BBD] synonym: "2,6,6-trimethylbicyclo[3.1.1]hept-2-ene" EXACT IUPAC_NAME [IUPAC] synonym: "2-pinene" RELATED [ChemIDplus] synonym: "acintene A" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Pinene" EXACT [KEGG_COMPOUND] synonym: "alpha-pinene" EXACT [UniProt] synonym: "pin-2(3)-ene" RELATED [UM-BBD] synonym: "pin-2-ene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3194807 {source="ChemIDplus"} xref: BPDB:2017 xref: CAS:2437-95-8 {source="KEGG COMPOUND"} xref: CAS:80-56-8 {source="NIST Chemistry WebBook"} xref: CAS:80-56-8 {source="KEGG COMPOUND"} xref: CAS:80-56-8 {source="ChemIDplus"} xref: KEGG:C09880 xref: KNApSAcK:C00000805 xref: LIPID_MAPS_instance:LMPR0102120017 {source="LIPID MAPS"} xref: MetaCyc:Alpha-pinene xref: PMID:11868675 {source="Europe PMC"} xref: PMID:23513743 {source="Europe PMC"} xref: Reaxys:3194807 {source="Reaxys"} xref: UM-BBD_compID:c0634 {source="UM-BBD"} xref: Wikipedia:Alpha-Pinene is_a: CHEBI:17187 ! pinene relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRWFGVWFFZKLTI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.23404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CCC2CC1C2(C)C" xsd:string [Term] id: CHEBI:36756 name: farnesane namespace: chebi_ontology def: "A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10." [] subset: 3_STAR synonym: "2,6,10-trimethyldodecane" EXACT IUPAC_NAME [IUPAC] synonym: "Farnesan" RELATED [NIST_Chemistry_WebBook] synonym: "farnesane" EXACT [NIST_Chemistry_WebBook] xref: Beilstein:1719672 {source="Beilstein"} xref: CAS:3891-98-3 {source="NIST Chemistry WebBook"} xref: CAS:3891-98-3 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMPR0103010000 {source="LIPID MAPS"} xref: MetaCyc:CPD-8764 xref: Patent:US2008098645 xref: Patent:US7399323 xref: Reaxys:1719672 {source="Reaxys"} is_a: CHEBI:18310 ! alkane is_a: CHEBI:35189 ! sesquiterpene relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H32" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YFHFHLSMISYUAQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.41458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.25040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)CCCC(C)CCCC(C)C" xsd:string [Term] id: CHEBI:36757 name: farnesane sesquiterpenoid namespace: chebi_ontology subset: 3_STAR synonym: "farnesane sesquiterpenoid" EXACT [ChEBI] synonym: "farnesane sesquiterpenoids" RELATED [ChEBI] is_a: CHEBI:26658 ! sesquiterpenoid relationship: has_parent_hydride CHEBI:36756 ! farnesane [Term] id: CHEBI:36758 name: apo carotenoid sesquiterpenoid namespace: chebi_ontology subset: 3_STAR synonym: "apo carotenoid sesquiterpenoids" RELATED [ChEBI] synonym: "apocarotenoid sesquiterpenoid" RELATED [ChEBI] synonym: "apocarotenoid sesquiterpenoids" RELATED [ChEBI] is_a: CHEBI:26658 ! sesquiterpenoid is_a: CHEBI:53183 ! apo carotenoid [Term] id: CHEBI:36765 name: gibberellane namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:35190 ! diterpene relationship: is_enantiomer_of CHEBI:36766 ! ent-gibberellane [Term] id: CHEBI:36766 name: ent-gibberellane namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:35190 ! diterpene relationship: is_enantiomer_of CHEBI:36765 ! gibberellane [Term] id: CHEBI:36770 name: labdane diterpenoid namespace: chebi_ontology def: "Any diterpenoid with a labdane skeleton." [] subset: 3_STAR synonym: "labdane diterpenoids" RELATED [ChEBI] synonym: "labdanes" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid relationship: has_parent_hydride CHEBI:36505 ! labdane [Term] id: CHEBI:36773 name: camphor namespace: chebi_ontology def: "A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid." [] subset: 3_STAR synonym: "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-bornanone" RELATED [NIST_Chemistry_WebBook] synonym: "2-camphanone" RELATED [NIST_Chemistry_WebBook] synonym: "2-keto-1,7,7-trimethylnorcamphane" RELATED [ChemIDplus] synonym: "bornan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Camphor" EXACT [KEGG_COMPOUND] synonym: "camphor" EXACT [UniProt] synonym: "camphor" EXACT [ChemIDplus] synonym: "Formosa camphor" RELATED [NIST_Chemistry_WebBook] synonym: "gum camphor" RELATED [ChemIDplus] synonym: "Japan camphor" RELATED [NIST_Chemistry_WebBook] synonym: "Kampfer" RELATED [NIST_Chemistry_WebBook] synonym: "laurel camphor" RELATED [NIST_Chemistry_WebBook] synonym: "root bark oil" RELATED [ChemIDplus] synonym: "spirit of camphor" RELATED [ChemIDplus] xref: Beilstein:1907611 {source="ChemIDplus"} xref: Beilstein:3196099 {source="ChemIDplus"} xref: Beilstein:6475830 {source="Beilstein"} xref: CAS:464-48-2 {source="KEGG COMPOUND"} xref: CAS:76-22-2 {source="ChemIDplus"} xref: CAS:76-22-2 {source="NIST Chemistry WebBook"} xref: CAS:76-22-2 {source="KEGG COMPOUND"} xref: Drug_Central:470 {source="DrugCentral"} xref: DrugBank:DB01744 xref: Gmelin:83275 {source="Gmelin"} xref: KEGG:C00809 xref: KEGG:C18369 xref: KEGG:D00098 xref: KNApSAcK:C00000135 xref: LIPID_MAPS_instance:LMPR0102120001 {source="LIPID MAPS"} xref: MetaCyc:Camphor xref: PMID:17488023 {source="Europe PMC"} xref: PMID:19384733 {source="Europe PMC"} xref: PMID:20950270 {source="Europe PMC"} xref: PMID:21562741 {source="Europe PMC"} xref: PMID:21620923 {source="Europe PMC"} xref: PMID:21777420 {source="Europe PMC"} xref: PMID:21906366 {source="Europe PMC"} xref: Reaxys:3196099 {source="Reaxys"} xref: Wikipedia:Camphor is_a: CHEBI:22912 ! bornane monoterpenoid is_a: CHEBI:23446 ! cyclic monoterpene ketone relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DSSYKIVIOFKYAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.23340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.12012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC1(C)C(=O)C2" xsd:string [Term] id: CHEBI:36785 name: carbobicyclic compound namespace: chebi_ontology def: "A bicyclic compound in which all the ring atoms are carbon." [] subset: 3_STAR synonym: "carbobicyclic compounds" RELATED [ChEBI] is_a: CHEBI:33636 ! bicyclic compound is_a: CHEBI:35294 ! carbopolycyclic compound [Term] id: CHEBI:36786 name: tetralins namespace: chebi_ontology def: "Compounds containing a tetralin skeleton." [] subset: 3_STAR synonym: "1,2,3,4-tetrahydronaphthalenes" RELATED [ChEBI] is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:36785 ! carbobicyclic compound [Term] id: CHEBI:36791 name: escitalopram namespace: chebi_ontology def: "A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram." [] subset: 3_STAR synonym: "(+)-citalopram" RELATED [ChEBI] synonym: "(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-citalopram" RELATED [ChemIDplus] synonym: "escitalopram" RELATED INN [WHO_MedNet] synonym: "escitalopramum" RELATED INN [WHO_MedNet] synonym: "Esertia" RELATED BRAND_NAME [KEGG_DRUG] synonym: "S(+)-citalopram" RELATED [ChemIDplus] synonym: "S-(+)-citalopram" RELATED [ChEBI] xref: Beilstein:9001444 {source="Beilstein"} xref: CAS:128196-01-0 {source="ChemIDplus"} xref: Drug_Central:1053 {source="DrugCentral"} xref: DrugBank:DB01175 xref: HMDB:HMDB0005028 xref: KEGG:D07913 xref: LINCS:LSM-3569 xref: PMID:14501259 {source="Europe PMC"} xref: PMID:14594439 {source="Europe PMC"} xref: PMID:14708881 {source="Europe PMC"} xref: PMID:15200745 {source="Europe PMC"} xref: PMID:15609164 {source="Europe PMC"} xref: PMID:16266205 {source="Europe PMC"} xref: PMID:16421462 {source="Europe PMC"} xref: PMID:16937393 {source="Europe PMC"} xref: PMID:16953656 {source="Europe PMC"} xref: PMID:18789789 {source="Europe PMC"} xref: PMID:19710642 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:24172161 {source="Europe PMC"} xref: PMID:24176515 {source="Europe PMC"} xref: PMID:24289655 {source="Europe PMC"} xref: PMID:24424469 {source="Europe PMC"} xref: PMID:24469525 {source="Europe PMC"} xref: PMID:24528284 {source="Europe PMC"} xref: Wikipedia:Escitalopram is_a: CHEBI:77397 ! 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: is_conjugate_base_of CHEBI:77406 ! escitalopram(1+) relationship: is_enantiomer_of CHEBI:36792 ! (R)-citalopram property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-FQEVSTJZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.39202" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.16379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:36792 name: (R)-citalopram namespace: chebi_ontology def: "A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram." [] subset: 3_STAR synonym: "(-)-citalopram" RELATED [ChEBI] synonym: "(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" RELATED [ChEBI] synonym: "(R)-(-)-citalopram" RELATED [ChEBI] xref: Beilstein:9001443 {source="Beilstein"} xref: PMID:14501259 {source="Europe PMC"} xref: Reaxys:9001443 {source="Reaxys"} is_a: CHEBI:77397 ! 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile relationship: is_conjugate_base_of CHEBI:77405 ! (R)-citalopram(1+) relationship: is_enantiomer_of CHEBI:36791 ! escitalopram property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-HXUWFJFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.39202" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.16379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:36793 name: (S)-bupropion namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8684198 {source="Beilstein"} is_a: CHEBI:3219 ! bupropion relationship: is_enantiomer_of CHEBI:36794 ! (R)-bupropion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNPPWIUOZRMYNY-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.74086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.10769" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1" xsd:string [Term] id: CHEBI:36794 name: (R)-bupropion namespace: chebi_ontology subset: 3_STAR synonym: "(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8684199 {source="Beilstein"} is_a: CHEBI:3219 ! bupropion relationship: is_enantiomer_of CHEBI:36793 ! (S)-bupropion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3/t9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNPPWIUOZRMYNY-SECBINFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.74086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.10769" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1" xsd:string [Term] id: CHEBI:3680 name: chrysanthemic acid namespace: chebi_ontology def: "A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3." [] subset: 3_STAR synonym: "2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chrysanthemic acid" EXACT [KEGG_COMPOUND] synonym: "chrysanthemummonocarboxylic acid" RELATED [ChemIDplus] synonym: "Chrysanthemumsaeure" RELATED [ChEBI] xref: Beilstein:2043418 {source="ChemIDplus"} xref: CAS:10453-89-1 {source="KEGG COMPOUND"} xref: CAS:10453-89-1 {source="ChemIDplus"} xref: KEGG:C09842 xref: LINCS:LSM-21601 xref: Patent:CN101830795 xref: Patent:US2010210721 xref: PMID:13083 {source="Europe PMC"} xref: PMID:16328989 {source="Europe PMC"} xref: PMID:17226179 {source="Europe PMC"} xref: PMID:24253739 {source="Europe PMC"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:51454 ! cyclopropanes relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLOPRKKSAJMMEW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.23284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC1C(C(O)=O)C1(C)C" xsd:string [Term] id: CHEBI:36807 name: hydrochloride namespace: chebi_ontology def: "A salt formally resulting from the reaction of hydrochloric acid with an organic base." [] subset: 3_STAR synonym: "Hydrochlorid" RELATED [ChEBI] synonym: "hydrochloride salts" RELATED [ChEBI] synonym: "hydrochlorides" RELATED [ChEBI] is_a: CHEBI:36094 ! organic chloride salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36810 name: (trifluoromethyl)benzene namespace: chebi_ontology def: "A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group." [] subset: 3_STAR synonym: "(trifluoromethyl)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,alpha,alpha-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] synonym: "benzotrifluoride" RELATED [ChemIDplus] synonym: "C6H5CF3" RELATED [ChEBI] synonym: "CF3Ph" RELATED [ChEBI] synonym: "omega-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] synonym: "PhCF3" RELATED [ChEBI] synonym: "phenylfluoroform" RELATED [NIST_Chemistry_WebBook] synonym: "trifluoromethylbenzene" RELATED [ChemIDplus] xref: Beilstein:1906908 {source="ChemIDplus"} xref: CAS:98-08-8 {source="NIST Chemistry WebBook"} xref: CAS:98-08-8 {source="ChemIDplus"} xref: Gmelin:3670 {source="Gmelin"} xref: PMID:11671431 {source="Europe PMC"} xref: PMID:20958547 {source="Europe PMC"} xref: PMID:24267073 {source="Europe PMC"} xref: PMID:24669762 {source="Europe PMC"} xref: Reaxys:1906908 {source="Reaxys"} is_a: CHEBI:46695 ! fluorohydrocarbon is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_functional_parent CHEBI:41550 ! fluoroform relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5F3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETTZEONDQJALK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.10980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.03433" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)c1ccccc1" xsd:string [Term] id: CHEBI:36816 name: oxime O-ether namespace: chebi_ontology def: "O-organyl oximes R2C=NOR' (R' =/= H)." [] subset: 3_STAR synonym: "O-substituted oximes" RELATED [ChEBI] synonym: "oxime ether" RELATED [ChEBI] synonym: "oxime ethers" RELATED [ChEBI] synonym: "oxime O-ether" EXACT [IUPAC] synonym: "oxime O-ethers" EXACT IUPAC_NAME [IUPAC] synonym: "oxime O-ethers" RELATED [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:35352 ! organonitrogen compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]O\\N=C(/[*])[*]" xsd:string [Term] id: CHEBI:36819 name: seco-ergostane is_a: CHEBI:35788 ! seco-steroid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36820 name: ring assembly namespace: chebi_ontology def: "Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved." [] subset: 3_STAR synonym: "ring assemblies" EXACT IUPAC_NAME [IUPAC] synonym: "ring assembly" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36823 name: pseudohalo group namespace: chebi_ontology subset: 3_STAR synonym: "halogenoid group" RELATED [ChEBI] synonym: "pseudohalide group" EXACT IUPAC_NAME [IUPAC] synonym: "pseudohalido group" RELATED [ChEBI] synonym: "pseudohalo groups" RELATED [ChEBI] synonym: "pseudohalogen group" RELATED [IUPAC] is_a: CHEBI:24433 ! group [Term] id: CHEBI:36828 name: pseudohalide anion namespace: chebi_ontology subset: 3_STAR synonym: "pseudohalide anions" RELATED [ChEBI] synonym: "pseudohalide ions" EXACT IUPAC_NAME [IUPAC] synonym: "pseudohalides" RELATED [ChEBI] synonym: "pseudohalogen anion" RELATED [ChEBI] synonym: "pseudohalogen ion" RELATED [ChEBI] is_a: CHEBI:36829 ! polyatomic monoanion [Term] id: CHEBI:36829 name: polyatomic monoanion namespace: chebi_ontology subset: 3_STAR synonym: "polyatomic monoanions" RELATED [ChEBI] is_a: CHEBI:33273 ! polyatomic anion is_a: CHEBI:36830 ! monoanion [Term] id: CHEBI:36830 name: monoanion namespace: chebi_ontology subset: 3_STAR synonym: "monoanions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string [Term] id: CHEBI:36834 name: 3-hydroxy steroid namespace: chebi_ontology def: "Any hydroxy steroid carrying a hydroxy group at position 3." [] subset: 3_STAR synonym: "3-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36836 name: 3beta-hydroxy steroid namespace: chebi_ontology alt_id: CHEBI:71195 def: "A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position." [] subset: 3_STAR synonym: "3beta-hydroxy steroids" RELATED [ChEBI] synonym: "a 3beta-hydroxysteroid" RELATED [UniProt] xref: KEGG:C02945 xref: MetaCyc:3-Beta-Hydroxysterols xref: PMID:10535978 {source="SUBMITTER"} xref: PMID:12829805 {source="SUBMITTER"} is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:36834 ! 3-hydroxy steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C" xsd:string [Term] id: CHEBI:36838 name: 17-hydroxy steroid namespace: chebi_ontology def: "A hydroxy steroid carrying a hydroxy group at position 17." [] subset: 3_STAR synonym: "17-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36840 name: 16-hydroxy steroid namespace: chebi_ontology def: "Any hydroxy steroid carrying a hydroxy group at position 16." [] subset: 3_STAR synonym: "16-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36841 name: 11-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "11-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36853 name: hydroxy seco-steroid namespace: chebi_ontology subset: 3_STAR synonym: "hydroxy seco-steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid is_a: CHEBI:35788 ! seco-steroid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36856 name: hydrogen isocyanide namespace: chebi_ontology subset: 3_STAR synonym: "CNH" RELATED [ChEBI] synonym: "HN(+)#C(-)" RELATED [IUPAC] synonym: "HNC" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen isocyanide" EXACT [NIST_Chemistry_WebBook] synonym: "hydroisocyanic acid" RELATED [ChEBI] synonym: "nitriliomethanide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2069401 {source="Beilstein"} xref: CAS:6914-07-4 {source="NIST Chemistry WebBook"} xref: Gmelin:113 {source="Gmelin"} is_a: CHEBI:33405 ! hydracid relationship: is_conjugate_acid_of CHEBI:17514 ! cyanide relationship: is_tautomer_of CHEBI:18407 ! hydrogen cyanide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHN/c1-2/h2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIUBLANJVAOHHY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "27.02538" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.01090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C-]#[NH+]" xsd:string [Term] id: CHEBI:36857 name: 2-hydroxy steroid namespace: chebi_ontology def: "Any hydroxy steroid carrying a hydroxy group at position 2." [] subset: 3_STAR synonym: "2-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36859 name: 2beta-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "2beta-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:36857 ! 2-hydroxy steroid [Term] id: CHEBI:36860 name: 14-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "14-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36861 name: 14alpha-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "14alpha-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:36860 ! 14-hydroxy steroid [Term] id: CHEBI:36862 name: 14beta-hydroxy steroid namespace: chebi_ontology def: "A 14-hydroxy steroid in which the hydroxy group has a beta-configuration." [] subset: 3_STAR synonym: "14beta-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:36860 ! 14-hydroxy steroid [Term] id: CHEBI:36863 name: 22-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "22-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36864 name: 25-hydroxy steroid namespace: chebi_ontology subset: 3_STAR synonym: "25-hydroxy steroids" RELATED [ChEBI] is_a: CHEBI:35350 ! hydroxy steroid [Term] id: CHEBI:36867 name: pseudohalogen namespace: chebi_ontology def: "Compounds that resemble the halogen elements, X2, in their chemistry." [] subset: 3_STAR synonym: "pseudohalogen" EXACT [IUPAC] synonym: "pseudohalogens" EXACT IUPAC_NAME [IUPAC] synonym: "pseudohalogens" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:36871 name: inorganic radical namespace: chebi_ontology subset: 3_STAR synonym: "inorganic radicals" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:26519 ! radical [Term] id: CHEBI:36873 name: radical anion namespace: chebi_ontology subset: 3_STAR synonym: "anion radical" RELATED [IUPAC] synonym: "radical anion" EXACT IUPAC_NAME [IUPAC] synonym: "radical anions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion is_a: CHEBI:36875 ! radical ion [Term] id: CHEBI:36875 name: radical ion namespace: chebi_ontology def: "A radical that carries an electric charge." [] subset: 3_STAR synonym: "ion radical" RELATED [IUPAC] synonym: "radical ion" EXACT IUPAC_NAME [IUPAC] synonym: "radical ions" RELATED [IUPAC] is_a: CHEBI:24870 ! ion is_a: CHEBI:26519 ! radical [Term] id: CHEBI:36876 name: inorganic radical anion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic anion radical" RELATED [ChEBI] synonym: "inorganic radical anions" RELATED [ChEBI] is_a: CHEBI:36873 ! radical anion is_a: CHEBI:36878 ! inorganic radical ion [Term] id: CHEBI:36878 name: inorganic radical ion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic ion radical" RELATED [ChEBI] synonym: "inorganic radical ions" RELATED [ChEBI] is_a: CHEBI:36871 ! inorganic radical is_a: CHEBI:36875 ! radical ion [Term] id: CHEBI:36883 name: 6-oxo steroid namespace: chebi_ontology subset: 3_STAR synonym: "6-oxo steroids" RELATED [ChEBI] is_a: CHEBI:35789 ! oxo steroid [Term] id: CHEBI:36885 name: 20-oxo steroid namespace: chebi_ontology def: "An oxo steroid carrying an oxo group at position 20." [] subset: 3_STAR synonym: "20-oxo steroids" RELATED [ChEBI] is_a: CHEBI:35789 ! oxo steroid [Term] id: CHEBI:36887 name: 18-oxo steroid namespace: chebi_ontology subset: 3_STAR synonym: "18-oxo steroids" RELATED [ChEBI] is_a: CHEBI:35789 ! oxo steroid [Term] id: CHEBI:36892 name: elemental fluorine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:36894 name: elemental bromine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33434 ! elemental halogen [Term] id: CHEBI:36895 name: monoatomic fluorine namespace: chebi_ontology subset: 3_STAR synonym: "atomic fluorine" RELATED [ChEBI] is_a: CHEBI:36892 ! elemental fluorine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string [Term] id: CHEBI:36896 name: monoatomic bromine namespace: chebi_ontology subset: 3_STAR synonym: "atomic bromine" RELATED [ChEBI] is_a: CHEBI:36894 ! elemental bromine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string [Term] id: CHEBI:36902 name: chalcogen hydride namespace: chebi_ontology subset: 3_STAR synonym: "chalcogen hydride" EXACT [ChEBI] synonym: "chalcogen hydrides" RELATED [ChEBI] is_a: CHEBI:33242 ! inorganic hydride is_a: CHEBI:33304 ! chalcogen molecular entity [Term] id: CHEBI:36903 name: selenium hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of selenium" RELATED [ChEBI] synonym: "selenium hydride" EXACT [ChEBI] synonym: "selenium hydrides" RELATED [ChEBI] is_a: CHEBI:26628 ! selenium molecular entity is_a: CHEBI:36902 ! chalcogen hydride [Term] id: CHEBI:36904 name: elemental selenium namespace: chebi_ontology subset: 3_STAR synonym: "elemental selenium" EXACT [NIST_Chemistry_WebBook] xref: CAS:7782-49-2 {source="NIST Chemistry WebBook"} is_a: CHEBI:26628 ! selenium molecular entity [Term] id: CHEBI:36908 name: argon molecular entity is_a: CHEBI:33583 ! noble gas molecular entity [Term] id: CHEBI:36911 name: radon molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "radon compounds" RELATED [ChEBI] synonym: "radon molecular entities" RELATED [ChEBI] synonym: "radon molecular entity" EXACT [ChEBI] is_a: CHEBI:33583 ! noble gas molecular entity relationship: has_part CHEBI:33314 ! radon atom [Term] id: CHEBI:36914 name: inorganic ion namespace: chebi_ontology subset: 3_STAR synonym: "inorganic ions" RELATED [ChEBI] is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:24870 ! ion [Term] id: CHEBI:36915 name: inorganic cation namespace: chebi_ontology subset: 3_STAR synonym: "inorganic cations" RELATED [ChEBI] is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:36916 ! cation [Term] id: CHEBI:36916 name: cation namespace: chebi_ontology alt_id: CHEBI:23058 alt_id: CHEBI:3473 def: "A monoatomic or polyatomic species having one or more elementary charges of the proton." [] subset: 3_STAR synonym: "Cation" EXACT [KEGG_COMPOUND] synonym: "cation" EXACT IUPAC_NAME [IUPAC] synonym: "cation" EXACT [ChEBI] synonym: "cationes" RELATED [ChEBI] synonym: "cations" RELATED [ChEBI] synonym: "Kation" RELATED [ChEBI] synonym: "Kationen" RELATED [ChEBI] xref: KEGG:C01373 is_a: CHEBI:24870 ! ion property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36918 name: antimony hydride namespace: chebi_ontology subset: 3_STAR synonym: "antimony hydrides" RELATED [ChEBI] is_a: CHEBI:35881 ! pnictogen hydride is_a: CHEBI:36919 ! antimony molecular entity [Term] id: CHEBI:36919 name: antimony molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "antimony compounds" RELATED [ChEBI] synonym: "antimony molecular entities" RELATED [ChEBI] synonym: "antimony molecular entity" EXACT [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:30513 ! antimony atom [Term] id: CHEBI:36922 name: elemental antimony namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:36919 ! antimony molecular entity [Term] id: CHEBI:36943 name: aryl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "aryl phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:36946 name: thiourea namespace: chebi_ontology alt_id: CHEBI:29331 alt_id: CHEBI:35015 alt_id: CHEBI:46065 def: "The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur." [] subset: 3_STAR synonym: "2-thiourea" RELATED [ChemIDplus] synonym: "aminothioamide" RELATED [ChEBI] synonym: "aminothiocarboxamide" RELATED [ChEBI] synonym: "carbonothioic diamide" RELATED [IUPAC] synonym: "H2NC(S)NH2" RELATED [ChEBI] synonym: "Thiocarbamid" RELATED [ChEBI] synonym: "thiocarbamide" RELATED [NIST_Chemistry_WebBook] synonym: "thiocarbonic acid diamide" RELATED [ChemIDplus] synonym: "Thioharnstoff" RELATED [ChEBI] synonym: "Thiokarbamid" RELATED [ChEBI] synonym: "THIOUREA" EXACT [PDBeChem] synonym: "Thiourea" EXACT [KEGG_COMPOUND] synonym: "thiourea" EXACT IUPAC_NAME [IUPAC] synonym: "tu" RELATED [IUPAC] xref: Beilstein:605327 {source="Beilstein"} xref: CAS:62-56-6 {source="ChemIDplus"} xref: CAS:62-56-6 {source="KEGG COMPOUND"} xref: CAS:62-56-6 {source="NIST Chemistry WebBook"} xref: Gmelin:1604 {source="Gmelin"} xref: KEGG:C14415 xref: Patent:US2173067 xref: Patent:US2357149 xref: Patent:US2393917 xref: Patent:US2552584 xref: Patent:US2560596 xref: PDBeChem:TOU xref: PMID:12102173 {source="Europe PMC"} xref: PPDB:641 xref: Reaxys:605327 {source="Reaxys"} xref: Wikipedia:Thiourea is_a: CHEBI:47857 ! ureas is_a: CHEBI:51276 ! thioureas is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:36958 ! carbonothioic O,O-acid relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:23240 ! chromophore property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UMGDCJDMYOKAJW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.12194" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.00952" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=S" xsd:string [Term] id: CHEBI:36958 name: carbonothioic O,O-acid namespace: chebi_ontology subset: 3_STAR synonym: "[C(OH)2S]" RELATED [ChEBI] synonym: "carbonothioic O,O-acid" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidosulfidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "HO-CS-OH" RELATED [IUPAC] xref: Beilstein:1847283 {source="Beilstein"} xref: Gmelin:100754 {source="Gmelin"} is_a: CHEBI:36960 ! carbonothioic acid is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:36959 ! carbonothioic O,S-acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2S/c2-1(3)4/h(H2,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WRWHFVRDUAQRIQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.09138" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.97755" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(O)=S" xsd:string [Term] id: CHEBI:36959 name: carbonothioic O,S-acid namespace: chebi_ontology subset: 3_STAR synonym: "[CO(OH)(SH)]" RELATED [ChEBI] synonym: "carbonothioic O,S-acid" EXACT [IUPAC] synonym: "carbonothioic S-acid" EXACT IUPAC_NAME [IUPAC] synonym: "HO-CO-SH" RELATED [IUPAC] synonym: "hydroxidooxidosulfanidocarbon" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36960 ! carbonothioic acid is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:36958 ! carbonothioic O,O-acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2S/c2-1(3)4/h4H,(H,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HDFRDWFLWVCOGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.09138" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.97755" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(S)=O" xsd:string [Term] id: CHEBI:36960 name: carbonothioic acid namespace: chebi_ontology subset: 3_STAR synonym: "carbonothioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "H2CO2S" RELATED [IUPAC] synonym: "thiocarbonic acid" RELATED [IUPAC] is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36961 ! chalcocarbonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.092" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.97755" xsd:string [Term] id: CHEBI:36961 name: chalcocarbonic acid namespace: chebi_ontology subset: 3_STAR synonym: "chalcocarbonic acid" EXACT [ChEBI] synonym: "chalcocarbonic acids" EXACT IUPAC_NAME [IUPAC] synonym: "chalcocarbonic acids" RELATED [ChEBI] is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:36962 name: organochalcogen compound namespace: chebi_ontology def: "An organochalcogen compound is a compound containing at least one carbon-chalcogen bond." [] subset: 3_STAR synonym: "organochalcogen compound" EXACT [ChEBI] synonym: "organochalcogen compounds" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:33304 ! chalcogen molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:36963 name: organooxygen compound namespace: chebi_ontology def: "An organochalcogen compound containing at least one carbon-oxygen bond." [] subset: 3_STAR synonym: "organooxygen compound" EXACT [ChEBI] synonym: "organooxygen compounds" RELATED [ChEBI] xref: PMID:17586126 "Europe PMC" xref: PMID:17586126 {source="Europe PMC"} is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:36962 ! organochalcogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3697 name: cilastatin namespace: chebi_ontology alt_id: CHEBI:109454 alt_id: CHEBI:143261 alt_id: CHEBI:41538 def: "The thioether resulting from the formal oxidative coupling of the thiol group of L-cysteine with the 7-position of (2Z)-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin is therefore administered (as the sodium salt) with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to inactive and potentially nephrotoxic products. Cilastatin also acts as a leukotriene D4 dipeptidase inhibitor, preventing the metabolism of leukotriene D4 to leukotriene E4." [] subset: 3_STAR synonym: "(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid" RELATED [ChEMBL] synonym: "(Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine" RELATED [ChEBI] synonym: "(Z)-7-((R)-2-Amino-2-carboxy-ethylsulfanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid" RELATED [ChEMBL] synonym: "cilastatin" RELATED INN [ChemIDplus] synonym: "cilastatina" RELATED INN [ChemIDplus] synonym: "cilastatine" RELATED INN [ChemIDplus] synonym: "cilastatinum" RELATED INN [ChemIDplus] xref: Beilstein:6895069 {source="Beilstein"} xref: CAS:82009-34-5 {source="ChemIDplus"} xref: CAS:82009-34-5 {source="KEGG COMPOUND"} xref: Drug_Central:640 {source="DrugCentral"} xref: DrugBank:DB01597 xref: KEGG:C01675 xref: KEGG:D07698 xref: Patent:EP48025 xref: Patent:EP48301 xref: Patent:EP72014 xref: PDBeChem:CIL xref: PMID:3495664 {source="ChEMBL"} xref: Reaxys:6895069 {source="Reaxys"} xref: Wikipedia:Cilastatin is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid is_a: CHEBI:83824 ! L-cysteine derivative relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37670 ! protease inhibitor relationship: has_role CHEBI:76926 ! EC 3.4.13.19 (membrane dipeptidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:59512 ! cilastatin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H26N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHSUYTOATWAVLW-WFVMDLQDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "358.45300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "358.15624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C[C@@H]1C(=O)N\\C(C(O)=O)=C/CCCCSC[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:36976 name: nucleotide namespace: chebi_ontology alt_id: CHEBI:13215 alt_id: CHEBI:13663 alt_id: CHEBI:7656 def: "A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid." [] subset: 3_STAR synonym: "Nucleotide" EXACT [KEGG_COMPOUND] synonym: "nucleotides" RELATED [ChEBI] xref: KEGG:C00215 xref: Wikipedia:Nucleotide is_a: CHEBI:25608 ! nucleoside phosphate [Term] id: CHEBI:36982 name: cyclic purine nucleotide namespace: chebi_ontology subset: 3_STAR synonym: "cyclic purine nucleotides" RELATED [ChEBI] is_a: CHEBI:23447 ! cyclic nucleotide is_a: CHEBI:26395 ! purine nucleotide [Term] id: CHEBI:36987 name: 3'-deoxyribonucleoside namespace: chebi_ontology subset: 3_STAR synonym: "3'-deoxyribonucleosides" RELATED [ChEBI] is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:47018 ! monohydroxytetrahydrofuran [Term] id: CHEBI:37010 name: ribonucleoside 5'-monophosphate namespace: chebi_ontology alt_id: CHEBI:1976 alt_id: CHEBI:1977 alt_id: CHEBI:20500 alt_id: CHEBI:36996 subset: 3_STAR synonym: "ribonucleoside 5'-monophosphates" RELATED [ChEBI] is_a: CHEBI:26558 ! ribonucleoside monophosphate is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate [Term] id: CHEBI:37015 name: ribonucleoside 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:16701 ! nucleoside 5'-phosphate is_a: CHEBI:26561 ! ribonucleotide [Term] id: CHEBI:37021 name: purine ribonucleoside 5'-monophosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside 5'-monophosphates" RELATED [ChEBI] is_a: CHEBI:26397 ! purine ribonucleoside monophosphate is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:37010 ! ribonucleoside 5'-monophosphate [Term] id: CHEBI:37022 name: amino-acid anion namespace: chebi_ontology subset: 3_STAR synonym: "amino acid anions" RELATED [ChEBI] synonym: "amino-acid anion" EXACT [ChEBI] synonym: "amino-acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion is_a: CHEBI:35352 ! organonitrogen compound relationship: is_conjugate_base_of CHEBI:33709 ! amino acid [Term] id: CHEBI:37045 name: purine ribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "purine ribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:26398 ! purine ribonucleoside triphosphate is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:37076 ! ribonucleoside 5'-triphosphate [Term] id: CHEBI:37070 name: 2-methylbutyric acid namespace: chebi_ontology def: "A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria." [] subset: 3_STAR synonym: "2-methybutyric acid" RELATED [ChemIDplus] synonym: "2-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methylbutyric acid" EXACT [KEGG_COMPOUND] synonym: "2-methylbutyric acid" EXACT [NIST_Chemistry_WebBook] synonym: "alpha-methyl butyric acid" RELATED [LIPID_MAPS] synonym: "alpha-methylbutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "butane-2-carboxylic acid" RELATED [ChEBI] synonym: "ethylmethylacetic acid" RELATED [ChemIDplus] synonym: "methylethylacetic acid" RELATED [ChemIDplus] xref: Beilstein:1098537 {source="Beilstein"} xref: CAS:116-53-0 {source="KEGG COMPOUND"} xref: CAS:116-53-0 {source="ChemIDplus"} xref: CAS:116-53-0 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03741 xref: HMDB:HMDB0002176 xref: KEGG:C18319 xref: LIPID_MAPS_instance:LMFA01020072 {source="LIPID MAPS"} xref: PMID:15615815 {source="Europe PMC"} xref: PMID:16751541 {source="Europe PMC"} xref: PMID:18828792 {source="Europe PMC"} xref: PMID:22202876 {source="Europe PMC"} xref: PMID:3372640 {source="Europe PMC"} xref: Reaxys:1098537 {source="Reaxys"} is_a: CHEBI:38653 ! methylbutyric acid relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:48946 ! 2-methylbutyrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLAMNBDJUVNPJU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)C(O)=O" xsd:string [Term] id: CHEBI:37076 name: ribonucleoside 5'-triphosphate namespace: chebi_ontology subset: 3_STAR synonym: "ribonucleoside 5'-triphosphates" RELATED [ChEBI] is_a: CHEBI:37015 ! ribonucleoside 5'-phosphate [Term] id: CHEBI:37080 name: acrylate namespace: chebi_ontology alt_id: CHEBI:13721 alt_id: CHEBI:35937 subset: 3_STAR synonym: "2-propenoate" RELATED [ChemIDplus] synonym: "2-propenoic acid, ion(1-)" RELATED [ChemIDplus] synonym: "acrylate" EXACT [UniProt] synonym: "prop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "Propenoate" RELATED [KEGG_COMPOUND] xref: Beilstein:3535778 {source="Beilstein"} xref: Beilstein:3931336 {source="Beilstein"} xref: CAS:10344-93-1 {source="ChemIDplus"} xref: Gmelin:323518 {source="Gmelin"} xref: KEGG:C00511 xref: UM-BBD_compID:c0113 {source="UM-BBD"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:18308 ! acrylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIXOWILDQLNWCW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "71.05472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "71.01385" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C=C" xsd:string [Term] id: CHEBI:37089 name: ortho-fused tricyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "ortho-fused tricyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:35427 ! ortho-fused polycyclic hydrocarbon is_a: CHEBI:51119 ! tricyclic hydrocarbon [Term] id: CHEBI:37096 name: adenosine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "adenosine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:22256 ! adenosine phosphate [Term] id: CHEBI:37110 name: thallium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "thallium compounds" RELATED [ChEBI] synonym: "thallium molecular entities" RELATED [ChEBI] synonym: "thallium molecular entity" EXACT [ChEBI] is_a: CHEBI:33581 ! boron group molecular entity relationship: has_part CHEBI:30440 ! thallium [Term] id: CHEBI:37112 name: indium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "indium compounds" RELATED [ChEBI] synonym: "indium molecular entities" RELATED [ChEBI] synonym: "indium molecular entity" EXACT [ChEBI] is_a: CHEBI:33581 ! boron group molecular entity relationship: has_part CHEBI:30430 ! indium atom [Term] id: CHEBI:37113 name: elemental thallium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:37110 ! thallium molecular entity [Term] id: CHEBI:37114 name: elemental indium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:37112 ! indium molecular entity [Term] id: CHEBI:37121 name: guanosine 5'-phosphate namespace: chebi_ontology subset: 3_STAR synonym: "guanosine 5'-phosphates" RELATED [ChEBI] is_a: CHEBI:24455 ! guanosine phosphate [Term] id: CHEBI:37128 name: caesium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "caesium compounds" RELATED [ChEBI] synonym: "caesium molecular entities" RELATED [ChEBI] synonym: "caesium molecular entity" EXACT [ChEBI] synonym: "cesium compounds" RELATED [ChEBI] is_a: CHEBI:33296 ! alkali metal molecular entity relationship: has_part CHEBI:30514 ! caesium atom [Term] id: CHEBI:37131 name: strontium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "strontium compounds" RELATED [ChEBI] synonym: "strontium molecular entities" RELATED [ChEBI] synonym: "strontium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:33324 ! strontium atom [Term] id: CHEBI:37133 name: barium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "barium compounds" RELATED [ChEBI] synonym: "barium molecular entities" RELATED [ChEBI] synonym: "barium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:32594 ! barium atom [Term] id: CHEBI:37134 name: elemental barium is_a: CHEBI:37133 ! barium molecular entity [Term] id: CHEBI:37141 name: organobromine compound namespace: chebi_ontology def: "A compound containing at least one carbon-bromine bond." [] subset: 3_STAR synonym: "an organobromine molecule" RELATED [UniProt] synonym: "bromoorganic compound" RELATED [ChEBI] synonym: "organobromide" RELATED [ChEBI] synonym: "organobromide compound" RELATED [ChEBI] synonym: "organobromide compounds" RELATED [ChEBI] synonym: "organobromides" RELATED [ChEBI] synonym: "organobromine compound" EXACT [ChEBI] synonym: "organobromine compounds" RELATED [ChEBI] xref: MetaCyc:Bromide xref: Wikipedia:Organobromine_compound is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:22928 ! bromine molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*Br" xsd:string [Term] id: CHEBI:37142 name: organoiodine compound namespace: chebi_ontology def: "An organoiodine compound is a compound containing at least one carbon-iodine bond." [] subset: 3_STAR synonym: "organoiodine compound" EXACT [ChEBI] synonym: "organoiodine compounds" RELATED [ChEBI] xref: MetaCyc:Organoiodine-Compounds xref: Wikipedia:Organoiodine_compound is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:24860 ! iodine molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "IR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*I" xsd:string [Term] id: CHEBI:37143 name: organofluorine compound namespace: chebi_ontology def: "An organofluorine compound is a compound containing at least one carbon-fluorine bond." [] subset: 3_STAR synonym: "fluoroorganic compound" RELATED [ChEBI] synonym: "fluoroorganic compounds" RELATED [ChEBI] synonym: "fluoroorganics" RELATED [ChEBI] synonym: "fluororganische Verbindungen" RELATED [ChEBI] synonym: "organofluorine compound" EXACT [ChEBI] synonym: "organofluorine compounds" RELATED [ChEBI] xref: MetaCyc:Fluorides is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:24062 ! fluorine molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*F" xsd:string [Term] id: CHEBI:37144 name: epichlorohydrin namespace: chebi_ontology alt_id: CHEBI:18720 alt_id: CHEBI:34737 def: "An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine." [] subset: 3_STAR synonym: "(chloromethyl)ethylene oxide" RELATED [ChemIDplus] synonym: "(RS)-3-chloro-1,2-epoxypropane" RELATED [UM-BBD] synonym: "1-Chloro-2,3-epoxypropane" RELATED [KEGG_COMPOUND] synonym: "2,3-epoxypropyl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "2-(chloromethyl)oxirane" EXACT IUPAC_NAME [IUPAC] synonym: "3-chloro-1,2-epoxypropane" RELATED [ChemIDplus] synonym: "alpha-epichlorohydrin" RELATED [NIST_Chemistry_WebBook] synonym: "chloromethyloxirane" RELATED [ChemIDplus] synonym: "Epichlorohydrin" EXACT [KEGG_COMPOUND] synonym: "gamma-chloropropylene oxide" RELATED [UM-BBD] xref: Beilstein:79785 {source="Beilstein"} xref: CAS:106-89-8 {source="ChemIDplus"} xref: CAS:106-89-8 {source="NIST Chemistry WebBook"} xref: CAS:106-89-8 {source="KEGG COMPOUND"} xref: CAS:13403-37-7 {source="ChemIDplus"} xref: CAS:13403-37-7 {source="NIST Chemistry WebBook"} xref: Gmelin:164180 {source="Gmelin"} xref: HMDB:HMDB0034232 xref: KEGG:C14449 xref: Patent:US2011054197 xref: PMID:17441735 {source="Europe PMC"} xref: PMID:20547378 {source="Europe PMC"} xref: PMID:8586023 {source="Europe PMC"} xref: PPDB:1733 xref: Reaxys:79785 {source="Reaxys"} xref: UM-BBD_compID:c0077 {source="UM-BBD"} xref: Wikipedia:Epichlorohydrin is_a: CHEBI:32955 ! epoxide is_a: CHEBI:36683 ! organochlorine compound relationship: has_functional_parent CHEBI:38685 ! 1,2-epoxypropane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BRLQWZUYTZBJKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.52390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.00289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC1CO1" xsd:string [Term] id: CHEBI:37147 name: dibromobenzene namespace: chebi_ontology def: "Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions." [] subset: 3_STAR synonym: "dibromobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "dibromobenzenes" RELATED [ChEBI] is_a: CHEBI:37149 ! bromobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Br2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.86797" xsd:string [Term] id: CHEBI:37148 name: bromoarene namespace: chebi_ontology def: "A compound derived from an arene by replacing a hydrogen atom with a bromine atom." [] subset: 3_STAR synonym: "aryl bromide" RELATED [ChEBI] synonym: "aryl bromides" RELATED [ChEBI] synonym: "bromoarenes" RELATED [ChEBI] is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:50887 ! haloarene [Term] id: CHEBI:37149 name: bromobenzenes namespace: chebi_ontology def: "A member of the class of benzenes that is benzene substituted by at least one bromo group." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:37141 ! organobromine compound [Term] id: CHEBI:37151 name: 1,3-dibromobenzene namespace: chebi_ontology def: "A dibromobenzene carrying bromo groups at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-dibromobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "m-dibromobenzene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1904538 {source="Beilstein"} xref: CAS:108-36-1 {source="NIST Chemistry WebBook"} xref: CAS:108-36-1 {source="ChemIDplus"} xref: Gmelin:363342 {source="Gmelin"} xref: PMID:15267540 {source="Europe PMC"} xref: PMID:17935095 {source="Europe PMC"} xref: PMID:18624286 {source="Europe PMC"} xref: Reaxys:1904538 {source="Reaxys"} is_a: CHEBI:37147 ! dibromobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4Br2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JSRLURSZEMLAFO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.90396" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.86798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1cccc(Br)c1" xsd:string [Term] id: CHEBI:37153 name: EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor namespace: chebi_ontology alt_id: CHEBI:62670 def: "Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16)." [] subset: 3_STAR synonym: "3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor" RELATED [ChEBI] synonym: "3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors" RELATED [ChEBI] synonym: "Aspergillus awamori acid protein phosphatase inhibitor" RELATED [ChEBI] synonym: "Aspergillus awamori acid protein phosphatase inhibitors" RELATED [ChEBI] synonym: "BCKDH phosphatase inhibitor" RELATED [ChEBI] synonym: "BCKDH phosphatase inhibitors" RELATED [ChEBI] synonym: "branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor" RELATED [ChEBI] synonym: "branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors" RELATED [ChEBI] synonym: "calcineurin inhibitor" RELATED [ChEBI] synonym: "calcineurin inhibitors" RELATED [ChEBI] synonym: "casein phosphatase inhibitor" RELATED [ChEBI] synonym: "casein phosphatase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.16 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.16 inhibitors" RELATED [ChEBI] synonym: "HMG-CoA reductase phosphatase inhibitor" RELATED [ChEBI] synonym: "HMG-CoA reductase phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphatase 2A inhibitor" RELATED [ChEBI] synonym: "phosphatase 2A inhibitors" RELATED [ChEBI] synonym: "phosphatase 2B inhibitor" RELATED [ChEBI] synonym: "phosphatase 2B inhibitors" RELATED [ChEBI] synonym: "phosphatase C-II inhibitor" RELATED [ChEBI] synonym: "phosphatase C-II inhibitors" RELATED [ChEBI] synonym: "phosphatase H-II inhibitor" RELATED [ChEBI] synonym: "phosphatase H-II inhibitors" RELATED [ChEBI] synonym: "phosphatase I inhibitor" RELATED [ChEBI] synonym: "phosphatase I inhibitors" RELATED [ChEBI] synonym: "phosphatase IB inhibitor" RELATED [ChEBI] synonym: "phosphatase IB inhibitors" RELATED [ChEBI] synonym: "phosphatase II inhibitor" RELATED [ChEBI] synonym: "phosphatase II inhibitors" RELATED [ChEBI] synonym: "phosphatase III inhibitor" RELATED [ChEBI] synonym: "phosphatase III inhibitors" RELATED [ChEBI] synonym: "phosphatase IV inhibitor" RELATED [ChEBI] synonym: "phosphatase IV inhibitors" RELATED [ChEBI] synonym: "phosphatase SP inhibitor" RELATED [ChEBI] synonym: "phosphatase SP inhibitors" RELATED [ChEBI] synonym: "phosphoprotein phosphatase (EC 3.1.3.16) inhibitor" RELATED [ChEBI] synonym: "phosphoprotein phosphatase (EC 3.1.3.16) inhibitors" RELATED [ChEBI] synonym: "phosphoprotein phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphoprotein phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphoprotein phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "phosphoprotein phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "phosphopyruvate dehydrogenase phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphopyruvate dehydrogenase phosphatase inhibitors" RELATED [ChEBI] synonym: "phosphospectrin phosphatase inhibitor" RELATED [ChEBI] synonym: "phosphospectrin phosphatase inhibitors" RELATED [ChEBI] synonym: "polycation modulated (PCM-) phosphatase inhibitor" RELATED [ChEBI] synonym: "polycation modulated (PCM-) phosphatase inhibitors" RELATED [ChEBI] synonym: "protein D phosphatase inhibitor" RELATED [ChEBI] synonym: "protein D phosphatase inhibitors" RELATED [ChEBI] synonym: "protein phosphatase inhibitor" RELATED [ChEBI] synonym: "protein phosphatase inhibitors" RELATED [ChEBI] synonym: "protein phosphatase-1 inhibitor" RELATED [ChEBI] synonym: "protein phosphatase-1 inhibitors" RELATED [ChEBI] synonym: "protein phosphatase-2A inhibitor" RELATED [ChEBI] synonym: "protein phosphatase-2A inhibitors" RELATED [ChEBI] synonym: "protein phosphatase-2B inhibitor" RELATED [ChEBI] synonym: "protein phosphatase-2B inhibitors" RELATED [ChEBI] synonym: "protein phosphatase-2C inhibitor" RELATED [ChEBI] synonym: "protein phosphatase-2C inhibitors" RELATED [ChEBI] synonym: "protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors" RELATED [ChEBI] synonym: "protein serine/threonine phosphatase inhibitor" RELATED [ChEBI] synonym: "protein serine/threonine phosphatase inhibitors" RELATED [ChEBI] synonym: "serine/threonine specific protein phosphatase inhibitor" RELATED [ChEBI] synonym: "serine/threonine specific protein phosphatase inhibitors" RELATED [ChEBI] xref: Wikipedia:Phosphoprotein_phosphatase xref: Wikipedia:Protein_serine/threonine_phosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:37155 name: hydrogen butenedioate namespace: chebi_ontology subset: 3_STAR synonym: "3-carboxyacrylate" RELATED [IUPAC] synonym: "3-carboxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5244783 {source="Beilstein"} xref: Gmelin:1342303 {source="Gmelin"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:36180 ! butenedioate relationship: is_conjugate_base_of CHEBI:22958 ! butenedioic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.06422" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.00368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])C([O-])=O)C(O)=O" xsd:string [Term] id: CHEBI:37156 name: maleate(1-) namespace: chebi_ontology def: "A hydrogen butenedioate that is the conjugate base of maleic acid." [] subset: 3_STAR synonym: "(2Z)-3-carboxyacrylate" RELATED [IUPAC] synonym: "(2Z)-3-carboxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "Hmale" RELATED [IUPAC] synonym: "hydrogen maleate" RELATED [ChEBI] xref: Beilstein:3537457 {source="Beilstein"} xref: Gmelin:325289 {source="Gmelin"} xref: Reaxys:3537457 {source="Reaxys"} is_a: CHEBI:132951 ! maleate is_a: CHEBI:37155 ! hydrogen butenedioate relationship: is_conjugate_acid_of CHEBI:30780 ! maleate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-1/b2-1-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCYOOQTPOCHFL-UPHRSURJSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.06422" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.00368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)\\C=C/C([O-])=O" xsd:string [Term] id: CHEBI:37163 name: glucan namespace: chebi_ontology alt_id: CHEBI:24255 alt_id: CHEBI:5392 def: "A polysaccharide composed of glucose residues." [] subset: 3_STAR synonym: "Glucan" EXACT [] synonym: "glucan" EXACT [] synonym: "glucans" RELATED [] xref: CAS:9037-91-6 xref: KEGG:C01379 is_a: CHEBI:37164 ! homopolysaccharide property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11(C6H10O5)n" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37164 name: homopolysaccharide def: "Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'." [] is_a: CHEBI:18154 ! polysaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37172 name: silanes namespace: chebi_ontology def: "Saturated silicon hydrides, analogues of the alkanes; i.e. compounds of the general formula SinH2n+2." [] subset: 3_STAR synonym: "silanes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33329 ! silicon hydride [Term] id: CHEBI:37175 name: organic hydride namespace: chebi_ontology subset: 3_STAR synonym: "organic hydrides" RELATED [ChEBI] is_a: CHEBI:33692 ! hydrides property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37176 name: mononuclear parent hydride namespace: chebi_ontology subset: 3_STAR synonym: "mononuclear hydride" RELATED [ChEBI] synonym: "mononuclear hydrides" RELATED [IUPAC] synonym: "mononuclear parent hydrides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33692 ! hydrides property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37184 name: lead hydride namespace: chebi_ontology subset: 3_STAR synonym: "hydrides of lead" RELATED [ChEBI] synonym: "lead hydrides" RELATED [ChEBI] is_a: CHEBI:37185 ! lead coordination entity is_a: CHEBI:37761 ! metal hydride [Term] id: CHEBI:37185 name: lead coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "lead coordination compounds" RELATED [ChEBI] synonym: "lead coordination entities" RELATED [ChEBI] synonym: "lead coordination entity" EXACT [ChEBI] is_a: CHEBI:33585 ! lead molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:37190 name: silicon coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "silicon coordination compounds" RELATED [ChEBI] synonym: "silicon coordination entities" RELATED [ChEBI] synonym: "silicon coordination entity" EXACT [ChEBI] is_a: CHEBI:26677 ! silicon molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:37191 name: silicon oxoanion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24834 ! inorganic anion is_a: CHEBI:35406 ! oxoanion is_a: CHEBI:37190 ! silicon coordination entity [Term] id: CHEBI:37193 name: elemental lead namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33585 ! lead molecular entity [Term] id: CHEBI:37196 name: bismuth molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "bismuth compounds" RELATED [ChEBI] synonym: "bismuth molecular entities" RELATED [ChEBI] synonym: "bismuth molecular entity" EXACT [ChEBI] is_a: CHEBI:33302 ! pnictogen molecular entity relationship: has_part CHEBI:33301 ! bismuth atom [Term] id: CHEBI:37205 name: pentol namespace: chebi_ontology def: "A polyol with five hydroxy groups." [] subset: 3_STAR synonym: "pentol" EXACT IUPAC_NAME [IUPAC] synonym: "pentols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:37206 name: hexol namespace: chebi_ontology def: "A polyol that contains 6 hydroxy groups." [] subset: 3_STAR synonym: "hexol" EXACT IUPAC_NAME [IUPAC] synonym: "hexols" RELATED [ChEBI] is_a: CHEBI:26191 ! polyol [Term] id: CHEBI:37217 name: titanium molecular entity namespace: chebi_ontology subset: 3_STAR synonym: "titanium compounds" RELATED [ChEBI] synonym: "titanium molecular entities" RELATED [ChEBI] synonym: "titanium molecular entity" EXACT [ChEBI] is_a: CHEBI:33768 ! titanium group molecular entity relationship: has_part CHEBI:33341 ! titanium atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3723 name: citalopram namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active." [] subset: 3_STAR synonym: "1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile" RELATED [ChemIDplus] synonym: "1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile" RELATED [ChemIDplus] synonym: "Cipram" RELATED BRAND_NAME [ChemIDplus] synonym: "Citadur" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Citalopram" EXACT [KEGG_COMPOUND] synonym: "citalopram" RELATED INN [WHO_MedNet] synonym: "citalopram" RELATED INN [ChemIDplus] synonym: "citalopramum" RELATED INN [ChemIDplus] synonym: "Lu 10-171" RELATED [ChemIDplus] synonym: "Nitalapram" RELATED [ChemIDplus] synonym: "rac-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1397373 {source="Beilstein"} xref: CAS:59729-33-8 {source="KEGG COMPOUND"} xref: CAS:59729-33-8 {source="NIST Chemistry WebBook"} xref: CAS:59729-33-8 {source="ChemIDplus"} xref: DrugBank:DB00215 xref: HMDB:HMDB0005038 xref: KEGG:C07572 xref: KEGG:D07704 xref: Patent:DE2657013 xref: Patent:EP0171943 xref: Patent:EP1506963 xref: Patent:US4136193 xref: PMID:11336616 {source="Europe PMC"} xref: PMID:18213744 {source="Europe PMC"} xref: PMID:18219053 {source="Europe PMC"} xref: PMID:19747949 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: Reaxys:1397373 {source="Reaxys"} xref: Wikipedia:Citalopram is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:36791 ! escitalopram relationship: has_part CHEBI:36792 ! (R)-citalopram relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: has_role CHEBI:77402 ! EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.393" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.16379" xsd:string [Term] id: CHEBI:37246 name: elemental sodium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26712 ! sodium molecular entity [Term] id: CHEBI:37247 name: elemental potassium namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26217 ! potassium molecular entity [Term] id: CHEBI:37253 name: elemental zinc namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27364 ! zinc molecular entity [Term] id: CHEBI:37293 name: 1-ribosylimidazole namespace: chebi_ontology subset: 3_STAR synonym: "1-ribosylimidazoles" RELATED [ChEBI] is_a: CHEBI:48117 ! 1-glycosylimidazole [Term] id: CHEBI:37302 name: thorium molecular entity namespace: chebi_ontology def: "An actinoid molecular entity containing at least one atome of thorium." [] subset: 3_STAR synonym: "thorium compounds" RELATED [ChEBI] synonym: "thorium molecular entity" EXACT [ChEBI] is_a: CHEBI:33498 ! actinoid molecular entity relationship: has_part CHEBI:33385 ! thorium [Term] id: CHEBI:3732 name: clarithromycin namespace: chebi_ontology alt_id: CHEBI:41676 alt_id: CHEBI:442148 alt_id: CHEBI:670147 def: "The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis." [] subset: 3_STAR synonym: "6-O-methylerythromycin" RELATED [ChemIDplus] synonym: "6-O-methylerythromycin A" RELATED [ChemIDplus] synonym: "CLA" RELATED [DrugBank] synonym: "CLARITHROMYCIN" EXACT [PDBeChem] synonym: "Clarithromycin" EXACT [KEGG_COMPOUND] synonym: "clarithromycin" RELATED INN [ChemIDplus] synonym: "clarithromycina" RELATED INN [ChemIDplus] synonym: "clarithromycine" RELATED INN [ChemIDplus] synonym: "clarithromycinum" RELATED INN [ChemIDplus] synonym: "O(6)-methylerythromycin" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3581974 {source="Beilstein"} xref: CAS:81103-11-9 {source="ChemIDplus"} xref: CAS:81103-11-9 {source="KEGG COMPOUND"} xref: Drug_Central:668 {source="DrugCentral"} xref: DrugBank:DB01211 xref: KEGG:C06912 xref: KEGG:D00276 xref: LINCS:LSM-5606 xref: LIPID_MAPS_instance:LMPK04000014 {source="LIPID MAPS"} xref: Patent:EP41355 xref: Patent:US4331803 xref: PDBeChem:CTY xref: PMID:16387493 {source="ChEMBL"} xref: Reaxys:3581974 {source="Reaxys"} is_a: CHEBI:25105 ! macrolide antibiotic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H69NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGOYDEPGAOXOCK-KCBOHYOISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "747.95340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "747.47689" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC" xsd:string [Term] id: CHEBI:37323 name: 7,8-dimethylisoalloxazine namespace: chebi_ontology def: "A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8." [] subset: 3_STAR synonym: "7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "dimethylisoalloxazine" RELATED [IUPAC] xref: Beilstein:539579 {source="Beilstein"} xref: PMID:16128574 {source="Europe PMC"} xref: Reaxys:539579 {source="Reaxys"} is_a: CHEBI:37324 ! 7,8-dimethylbenzo[g]pteridine-2,4-dione relationship: has_functional_parent CHEBI:37327 ! isoalloxazine relationship: is_tautomer_of CHEBI:17781 ! lumichrome property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJTJUVIJVLLGSP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.23356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[nH]c3=O)[nH]c2cc1C" xsd:string [Term] id: CHEBI:37324 name: 7,8-dimethylbenzo[g]pteridine-2,4-dione namespace: chebi_ontology subset: 3_STAR synonym: "7,8-dimethylbenzo[g]pteridine-2,4-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:38925 ! benzopteridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.08038" xsd:string [Term] id: CHEBI:37325 name: alloxazine namespace: chebi_ontology subset: 3_STAR synonym: "Alloxazin" RELATED [NIST_Chemistry_WebBook] synonym: "alloxazine" EXACT [NIST_Chemistry_WebBook] synonym: "benzo[g]pteridine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:85819 {source="Beilstein"} xref: CAS:490-59-5 {source="NIST Chemistry WebBook"} xref: LINCS:LSM-2889 is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione relationship: is_tautomer_of CHEBI:37327 ! isoalloxazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAUGRYOERYOXHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.18040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:37326 name: benzo[g]pteridine-2,4-dione namespace: chebi_ontology subset: 3_STAR synonym: "benzo[g]pteridine-2,4-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:38925 ! benzopteridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string [Term] id: CHEBI:37327 name: isoalloxazine namespace: chebi_ontology subset: 3_STAR synonym: "benzo[g]pteridine-2,4(3H,10H)-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:991206 {source="Beilstein"} is_a: CHEBI:37326 ! benzo[g]pteridine-2,4-dione relationship: is_tautomer_of CHEBI:37325 ! alloxazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAUGRYOERYOXHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.18040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.04908" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:37332 name: tropane alkaloid namespace: chebi_ontology alt_id: CHEBI:27154 alt_id: CHEBI:27155 subset: 3_STAR synonym: "tropane alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:38295 ! azabicycloalkane [Term] id: CHEBI:37334 name: diagnostic imaging agent namespace: chebi_ontology def: "A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease." [] subset: 3_STAR is_a: CHEBI:33295 ! diagnostic agent [Term] id: CHEBI:37335 name: MRI contrast agent namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37334 ! diagnostic imaging agent [Term] id: CHEBI:37338 name: radioopaque medium namespace: chebi_ontology def: "A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays." [] subset: 3_STAR synonym: "contrast media" RELATED [ChEBI] synonym: "radiocontrast agent" RELATED [ChEBI] synonym: "radiocontrast agents" RELATED [ChEBI] synonym: "radioopaque media" RELATED [ChEBI] synonym: "radiopaque media" RELATED [ChEBI] synonym: "radiopaque medium" RELATED [ChEBI] xref: Wikipedia:Contrast_medium is_a: CHEBI:37334 ! diagnostic imaging agent [Term] id: CHEBI:37339 name: thorium dioxide namespace: chebi_ontology subset: 3_STAR synonym: "ThO2" RELATED [IUPAC] synonym: "thoria" RELATED [ChemIDplus] synonym: "thorium dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "thorium(IV) oxide" EXACT IUPAC_NAME [IUPAC] xref: CAS:1314-20-1 {source="ChemIDplus"} xref: CAS:1314-20-1 {source="NIST Chemistry WebBook"} xref: Gmelin:141638 {source="Gmelin"} is_a: CHEBI:37302 ! thorium molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2Th" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2O.Th" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCUFMDLYAMJYST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.03690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.02789" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Th]=O" xsd:string [Term] id: CHEBI:37378 name: phosphorus halide namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus halide" EXACT [ChEBI] synonym: "phosphorus halides" RELATED [ChEBI] is_a: CHEBI:37380 ! pnictogen halide is_a: CHEBI:50536 ! phosphorus coordination entity [Term] id: CHEBI:37380 name: pnictogen halide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33302 ! pnictogen molecular entity [Term] id: CHEBI:37381 name: nitrogen halide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37380 ! pnictogen halide is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:37395 name: mucopolysaccharide namespace: chebi_ontology alt_id: CHEBI:25425 alt_id: CHEBI:7011 def: "Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid." [] subset: 3_STAR synonym: "mucopolisacarido" RELATED [ChEBI] synonym: "mucopolisacaridos" RELATED [IUPAC] synonym: "Mucopolysaccharid" RELATED [ChEBI] synonym: "Mucopolysaccharide" EXACT [KEGG_COMPOUND] synonym: "mucopolysaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Mukopolysaccharid" RELATED [ChEBI] xref: KEGG:C05114 is_a: CHEBI:18085 ! glycosaminoglycan [Term] id: CHEBI:37403 name: copper coordination entity is_a: CHEBI:23377 ! copper molecular entity is_a: CHEBI:33861 ! transition element coordination entity [Term] id: CHEBI:37404 name: elemental copper namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:23377 ! copper molecular entity [Term] id: CHEBI:37407 name: cyclic ether namespace: chebi_ontology alt_id: CHEBI:37406 def: "Any ether in which the oxygen atom forms part of a ring." [] subset: 3_STAR synonym: "cyclic ether" EXACT [IUPAC] synonym: "cyclic ethers" EXACT IUPAC_NAME [IUPAC] synonym: "cyclic ethers" RELATED [ChEBI] synonym: "epoxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "epoxy compounds" RELATED [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:37445 name: folic acids namespace: chebi_ontology alt_id: CHEBI:24074 alt_id: CHEBI:24076 def: "A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units." [] subset: 3_STAR synonym: "folate" RELATED [ChEBI] synonym: "folates" EXACT IUPAC_NAME [IUPAC] synonym: "folates" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 is_a: CHEBI:26375 ! pterins is_a: CHEBI:83982 ! L-glutamic acid derivative relationship: is_conjugate_acid_of CHEBI:67011 ! folates property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:3745 name: clindamycin namespace: chebi_ontology alt_id: CHEBI:47331 def: "A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic." [] subset: 3_STAR synonym: "7(S)-Chloro-7-deoxylincomycin" RELATED [ChemIDplus] synonym: "7-CDL" RELATED [ChemIDplus] synonym: "Cleocin (TN)" RELATED [KEGG_DRUG] synonym: "Clindamycin" EXACT [KEGG_COMPOUND] synonym: "Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside" RELATED [ChemIDplus] synonym: "methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside" EXACT IUPAC_NAME [IUPAC] xref: CAS:18323-44-9 {source="ChemIDplus"} xref: CAS:18323-44-9 {source="KEGG COMPOUND"} xref: DrugBank:DB01190 xref: HMDB:HMDB0015321 xref: KEGG:C06914 xref: KEGG:C13684 xref: KEGG:D00277 xref: KEGG:D02132 xref: PMID:11691576 {source="Europe PMC"} xref: PMID:18695329 {source="Europe PMC"} xref: PMID:24310902 {source="Europe PMC"} xref: Reaxys:5624049 {source="Reaxys"} xref: Wikipedia:Clindamycin is_a: CHEBI:23007 ! carbohydrate-containing antibiotic is_a: CHEBI:35275 ! S-glycosyl compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:46770 ! pyrrolidinecarboxamide is_a: CHEBI:72588 ! semisynthetic derivative relationship: has_functional_parent CHEBI:6472 ! lincomycin relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H33ClN2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDLRVYVGXIQJDK-NOWPCOIGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "424.98380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "424.17987" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:37494 name: alkenyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "alkenyl phosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:3751 name: clomazone namespace: chebi_ontology def: "A oxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4." [] subset: 3_STAR synonym: "2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "Dimethazone" RELATED [NIST_Chemistry_WebBook] synonym: "FMC57020" RELATED [KEGG_COMPOUND] xref: CAS:81777-89-1 {source="NIST Chemistry WebBook"} xref: CAS:81777-89-1 {source="KEGG COMPOUND"} xref: KEGG:C11095 xref: Pesticides:clomazone {source="Alan Wood's Pesticides"} xref: PMID:21191867 {source="Europe PMC"} xref: PMID:23538322 {source="Europe PMC"} xref: PMID:24515809 {source="Europe PMC"} xref: PMID:24562457 {source="Europe PMC"} xref: PMID:24792474 {source="Europe PMC"} xref: PMID:25380132 {source="Europe PMC"} xref: PMID:25779373 {source="Europe PMC"} xref: PMID:26370279 {source="Europe PMC"} xref: PMID:27332840 {source="Europe PMC"} xref: PMID:28458150 {source="Europe PMC"} xref: PMID:28719874 {source="Europe PMC"} xref: PPDB:168 xref: Reaxys:7480026 {source="Reaxys"} xref: Wikipedia:Clomazone is_a: CHEBI:55374 ! oxazolidinone is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KIEDNEWSYUYDSN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.698" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.07131" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1ON(CC=2C=CC=CC2Cl)C(C1(C)C)=O" xsd:string [Term] id: CHEBI:37511 name: thiophosphate namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:26020 ! phosphate [Term] id: CHEBI:37512 name: organic thiophosphate namespace: chebi_ontology subset: 3_STAR synonym: "organic thiophosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:25716 ! organothiophosphorus compound is_a: CHEBI:37511 ! thiophosphate is_a: CHEBI:37734 ! phosphoric ester [Term] id: CHEBI:37526 name: tigliane namespace: chebi_ontology subset: 3_STAR synonym: "(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene" EXACT IUPAC_NAME [IUPAC] synonym: "Tiglian" RELATED [ChEBI] synonym: "tigliane" EXACT [ChEBI] xref: CAS:67707-87-3 {source="ChemIDplus"} is_a: CHEBI:35190 ! diterpene is_a: CHEBI:35662 ! terpenoid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H34" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H34/c1-11-6-14-7-12(2)9-16-18(15(14)8-11)13(3)10-17-19(16)20(17,4)5/h11-19H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CGVXVPQJMYMMIH-HKDZDBKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "274.485" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.26605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1[C@@]2([C@@]([C@]3([C@@](C[C@H](C3)C)(C[C@@H]1C)[H])[H])([C@H](C)C[C@@]4([C@]2(C4(C)C)[H])[H])[H])[H]" xsd:string [Term] id: CHEBI:37527 name: acid namespace: chebi_ontology alt_id: CHEBI:13800 alt_id: CHEBI:13801 alt_id: CHEBI:22209 alt_id: CHEBI:2426 def: "An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid)." [] subset: 3_STAR synonym: "Acid" EXACT [KEGG_COMPOUND] synonym: "acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide" RELATED [IUPAC] synonym: "acido" RELATED [ChEBI] synonym: "acids" RELATED [ChEBI] synonym: "Saeure" RELATED [ChEBI] synonym: "Saeuren" RELATED [ChEBI] xref: KEGG:C00174 is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:37529 name: cyclohexenecarboxylate ester namespace: chebi_ontology subset: 3_STAR synonym: "cyclohexenecarboxylate esters" RELATED [ChEBI] is_a: CHEBI:51702 ! enoate ester relationship: has_functional_parent CHEBI:23483 ! cyclohexenecarboxylic acid [Term] id: CHEBI:37532 name: phorbol ester namespace: chebi_ontology def: "Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C." [] subset: 3_STAR synonym: "phorbol ester" EXACT [ChEBI] xref: PMID:17661218 {source="Europe PMC"} xref: PMID:19944127 {source="Europe PMC"} xref: PMID:27007372 {source="Europe PMC"} is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:52557 ! tetracyclic diterpenoid relationship: has_functional_parent CHEBI:8116 ! phorbol [Term] id: CHEBI:37533 name: azo compound namespace: chebi_ontology def: "Derivatives of diazene with the general structure R-N=N-R'." [] subset: 3_STAR synonym: "azo compounds" EXACT IUPAC_NAME [IUPAC] synonym: "azo compounds" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_parent_hydride CHEBI:30096 ! diazene relationship: has_part CHEBI:30106 ! azo group [Term] id: CHEBI:37537 name: phorbol 13-acetate 12-myristate namespace: chebi_ontology alt_id: CHEBI:745 alt_id: CHEBI:746 def: "A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types." [] subset: 3_STAR synonym: "(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "12-O-tetradecanoylphorbol 13-acetate" RELATED [KEGG_COMPOUND] synonym: "12-tetradecanoylphorbol 13-acetate" RELATED [KEGG_COMPOUND] synonym: "phorbol 12-myristate 13-acetate" RELATED [KEGG_COMPOUND] synonym: "phorbol 12-tetradecanoate 13-acetate" RELATED [ChemIDplus] synonym: "phorbol-12-myristate-13-acetate" RELATED [ChEBI] synonym: "PMA" RELATED [ChemIDplus] synonym: "tetradecanoylphorbol acetate" RELATED [ChemIDplus] synonym: "TPA" RELATED [ChEBI] xref: Beilstein:2407201 {source="ChemIDplus"} xref: CAS:16561-29-8 {source="ChemIDplus"} xref: CAS:16561-29-8 {source="KEGG COMPOUND"} xref: Chemspider:25977 xref: KEGG:C05151 xref: KEGG:C09199 xref: KNApSAcK:C00003491 xref: LINCS:LSM-25630 xref: LIPID_MAPS_instance:LMPR0104330002 {source="LIPID MAPS"} xref: MetaCyc:CPD-19636 xref: PMCID:PMC6898309 {source="Europe PMC"} xref: PMID:12421969 {source="Europe PMC"} xref: PMID:15721302 {source="Europe PMC"} xref: PMID:15822940 {source="Europe PMC"} xref: PMID:16740769 {source="Europe PMC"} xref: PMID:18541361 {source="Europe PMC"} xref: PMID:20333698 {source="Europe PMC"} xref: PMID:22696070 {source="Europe PMC"} xref: PMID:25649981 {source="Europe PMC"} xref: PMID:25918710 {source="Europe PMC"} xref: PMID:26826276 {source="Europe PMC"} xref: PMID:26894087 {source="Europe PMC"} xref: PMID:27315825 {source="Europe PMC"} xref: PMID:27676154 {source="Europe PMC"} xref: PMID:2866623 {source="Europe PMC"} xref: PMID:29291631 {source="Europe PMC"} xref: PMID:29385060 {source="Europe PMC"} xref: PMID:29538403 {source="Europe PMC"} xref: PMID:29872754 {source="Europe PMC"} xref: PMID:29933732 {source="Europe PMC"} xref: PMID:30075941 {source="Europe PMC"} xref: PMID:30248704 {source="Europe PMC"} xref: PMID:30254419 {source="Europe PMC"} xref: PMID:30663866 {source="Europe PMC"} xref: PMID:31019367 {source="Europe PMC"} xref: PMID:31194000 {source="Europe PMC"} xref: PMID:31256364 {source="Europe PMC"} xref: PMID:31437790 {source="Europe PMC"} xref: PMID:31904021 {source="Europe PMC"} xref: PMID:32140039 {source="Europe PMC"} xref: PMID:33254440 {source="Europe PMC"} xref: PMID:33268675 {source="Europe PMC"} xref: PMID:33291656 {source="Europe PMC"} xref: PMID:34234780 {source="Europe PMC"} xref: PMID:3593207 {source="Europe PMC"} xref: Wikipedia:12-O-Tetradecanoylphorbol-13-acetate is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:37532 ! phorbol ester is_a: CHEBI:47622 ! acetate ester is_a: CHEBI:51307 ! diester is_a: CHEBI:87691 ! tetradecanoate ester relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:52290 ! mitogen relationship: has_role CHEBI:64018 ! protein kinase C agonist relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:70982 ! reactive oxygen species generator relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H56O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHEDXBVPIONUQT-RGYGYFBISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "616.826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "616.39752" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1[C@]2([C@]3([C@@]([C@H](OC(=O)CCCCCCCCCCCCC)[C@H]([C@@]2([C@]4([C@@](C(=O)C(=C4)C)(CC1CO)O)[H])O)C)(C3(C)C)OC(=O)C)[H])[H]" xsd:string [Term] id: CHEBI:37562 name: trialkyl phosphate namespace: chebi_ontology subset: 3_STAR synonym: "trialkyl phosphates" RELATED [ChEBI] is_a: CHEBI:22324 ! alkyl phosphate [Term] id: CHEBI:37577 name: heteroatomic molecular entity namespace: chebi_ontology def: "A molecular entity consisting of two or more chemical elements." [] subset: 3_STAR synonym: "chemical compound" RELATED [ChEBI] synonym: "heteroatomic molecular entities" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37578 name: halide namespace: chebi_ontology def: "Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements." [] subset: 3_STAR synonym: "halides" RELATED [ChEBI] xref: Wikipedia:Halide is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:37577 ! heteroatomic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37579 name: acyl halide namespace: chebi_ontology def: "A compound consisting of an acyl group bonded to halogen." [] subset: 3_STAR synonym: "acid halide" RELATED [ChEBI] synonym: "acyl halide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37578 ! halide [Term] id: CHEBI:37581 name: gamma-lactone namespace: chebi_ontology alt_id: CHEBI:13194 alt_id: CHEBI:18937 alt_id: CHEBI:22971 alt_id: CHEBI:541 def: "A lactone having a five-membered lactone ring." [] subset: 3_STAR synonym: "1,4-Lactone" RELATED [KEGG_COMPOUND] synonym: "1,4-lactones" RELATED [ChEBI] synonym: "a 1,4-lactone" RELATED [UniProt] synonym: "butyrolactones" RELATED [ChEBI] synonym: "gamma-lactona" RELATED [ChEBI] synonym: "gamma-lactonas" RELATED [ChEBI] synonym: "gamma-lactones" RELATED [ChEBI] synonym: "gamma-Laktone" RELATED [ChEBI] xref: PMID:18789684 {source="Europe PMC"} is_a: CHEBI:25000 ! lactone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3O2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "83.066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(C(C(C1=O)*)*)*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37586 name: sodium phosphate namespace: chebi_ontology comment: LanguaL term definition: Food additive. subset: 3_STAR synonym: "phosphoric acid, sodium salt" RELATED [] synonym: "sodium orthophosphate" RELATED [] synonym: "sodium phosphate" EXACT [] synonym: "sodium phosphates" RELATED [] synonym: "sodium salt of phosphoric acid" RELATED [] xref: CAS:7632-05-5 xref: Codex:\:339 xref: Europe:\:339 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4424 xref: Wikipedia:Sodium_phosphates is_a: CHEBI:190300 ! inorganic phosphate salt is_a: CHEBI:24838 ! inorganic phosphate is_a: CHEBI:38702 ! inorganic sodium salt is_a: FOODON:03412972 ! food additive property_value: IAO:0000118 "sodium phosphates" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37588 name: phosphonic acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "phosphonic acid derivatives" RELATED [ChEBI] is_a: CHEBI:36359 ! phosphorus oxoacid derivative relationship: has_functional_parent CHEBI:44976 ! phosphonic acid [Term] id: CHEBI:37592 name: organic phosphonate namespace: chebi_ontology alt_id: CHEBI:25709 alt_id: CHEBI:37591 subset: 3_STAR synonym: "organic phosphonates" RELATED [ChEBI] is_a: CHEBI:25710 ! organophosphorus compound is_a: CHEBI:26066 ! phosphonate [Term] id: CHEBI:37598 name: nitrogen mustard namespace: chebi_ontology def: "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR." [] subset: 3_STAR synonym: "nitrogen mustard compound" RELATED [ChEBI] synonym: "nitrogen mustard compounds" RELATED [ChEBI] synonym: "nitrogen mustards" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen mustards" RELATED [ChEBI] xref: Wikipedia:Nitrogen_mustard is_a: CHEBI:35352 ! organonitrogen compound relationship: has_role CHEBI:22333 ! alkylating agent [Term] id: CHEBI:37604 name: cis-octadec-9-ene namespace: chebi_ontology subset: 3_STAR synonym: "(9Z)-octadec-9-ene" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-9-octadecene" RELATED [NIST_Chemistry_WebBook] synonym: "cis-9-octadecene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1721559 {source="Beilstein"} xref: CAS:1779-13-1 {source="NIST Chemistry WebBook"} is_a: CHEBI:37605 ! octadec-9-ene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSNQNPCNYIJJHT-ZCXUNETKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.47844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.28170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC" xsd:string [Term] id: CHEBI:37605 name: octadec-9-ene namespace: chebi_ontology subset: 3_STAR synonym: "octadec-9-ene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8330440 {source="Beilstein"} is_a: CHEBI:37606 ! octadecene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSNQNPCNYIJJHT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.47844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.28170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CCCCCCCC)=C([H])CCCCCCCC" xsd:string [Term] id: CHEBI:37606 name: octadecene namespace: chebi_ontology def: "An alkene that is octadecane containing one double bond at unspecified position." [] subset: 3_STAR synonym: "octadecene" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32878 ! alkene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.479" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.28170" xsd:string [Term] id: CHEBI:37622 name: carboxamide namespace: chebi_ontology alt_id: CHEBI:35354 alt_id: CHEBI:35355 def: "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom." [] subset: 3_STAR synonym: "carboxamides" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamides" RELATED [ChEBI] synonym: "primary carboxamide" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_part CHEBI:23004 ! carbamoyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)N([*])[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37624 name: L-glucose namespace: chebi_ontology subset: 3_STAR synonym: "L(-)-glucose" RELATED [ChemIDplus] synonym: "L-gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "L-glucose" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1724626 {source="ChemIDplus"} xref: CAS:921-60-8 {source="ChemIDplus"} is_a: CHEBI:17234 ! glucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:37627 name: L-glucopyranose namespace: chebi_ontology def: "The L-enantiomer of glucopyranose." [] subset: 3_STAR synonym: "L-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "L-glucopyranose" EXACT [UniProt] synonym: "WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/" RELATED [GlyTouCan] xref: Beilstein:2206321 {source="Beilstein"} xref: GlyGen:G16038XU xref: GlyTouCan:G16038XU xref: Reaxys:2206321 {source="Reaxys"} is_a: CHEBI:37624 ! L-glucose is_a: CHEBI:37661 ! glucopyranose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQZGKKKJIJFFOK-ZZWDRFIYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:37631 name: beta-L-glucose namespace: chebi_ontology def: "A L-glucopyranose with a beta-configuration at the anomeric position." [] subset: 3_STAR synonym: "beta-L-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "WURCS=2.0/1,1,0/[a1211h-1b_1-5]/1/" RELATED [GlyTouCan] xref: Beilstein:1907373 {source="Beilstein"} xref: GlyGen:G59396XU xref: GlyTouCan:G59396XU xref: Reaxys:1907373 {source="Reaxys"} is_a: CHEBI:37627 ! L-glucopyranose relationship: is_enantiomer_of CHEBI:15903 ! beta-D-glucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQZGKKKJIJFFOK-QYESYBIKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:3764 name: clotrimazole namespace: chebi_ontology def: "A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group." [] subset: 3_STAR synonym: "1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole" RELATED [ChemIDplus] synonym: "1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole" RELATED [NIST_Chemistry_WebBook] synonym: "1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole" RELATED [NIST_Chemistry_WebBook] synonym: "1-(o-Chlorotrityl)imidazole" RELATED [ChemIDplus] synonym: "1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole" EXACT IUPAC_NAME [IUPAC] synonym: "Clotrimazole" EXACT [KEGG_DRUG] synonym: "Clotrimazole" EXACT [KEGG_COMPOUND] synonym: "Lotrimin (TN)" RELATED [KEGG_DRUG] synonym: "Mycelex (TN)" RELATED [KEGG_DRUG] xref: Beilstein:622318 {source="Beilstein"} xref: CAS:23593-75-1 {source="NIST Chemistry WebBook"} xref: CAS:23593-75-1 {source="ChemIDplus"} xref: CAS:23593-75-1 {source="KEGG COMPOUND"} xref: Drug_Central:719 {source="DrugCentral"} xref: DrugBank:DB00257 xref: HMDB:HMDB0001922 xref: KEGG:C06922 xref: KEGG:D00282 xref: LINCS:LSM-5341 xref: PDBeChem:CL6 xref: PMID:18728240 {source="Europe PMC"} xref: PMID:24892421 {source="Europe PMC"} xref: Reaxys:622318 {source="Reaxys"} xref: Wikipedia:Clotrimazole is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:87069 ! imidazole antifungal drug is_a: CHEBI:87071 ! conazole antifungal drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H17ClN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VNFPBHJOKIVQEB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.83700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.10803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1" xsd:string [Term] id: CHEBI:3766 name: clozapine namespace: chebi_ontology def: "A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia." [] subset: 3_STAR synonym: "8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine" EXACT IUPAC_NAME [IUPAC] synonym: "Clozapin" RELATED [DrugBank] synonym: "clozapina" RELATED INN [ChEBI] synonym: "Clozapine" EXACT [KEGG_COMPOUND] synonym: "clozapine" RELATED INN [ChEBI] synonym: "clozapinum" RELATED INN [ChEBI] xref: Beilstein:0764984 {source="Beilstein"} xref: CAS:5786-21-0 {source="ChemIDplus"} xref: Drug_Central:722 {source="DrugCentral"} xref: DrugBank:DB00363 xref: HMDB:HMDB0014507 xref: KEGG:C06924 xref: KEGG:D00283 xref: Patent:FR1334944 xref: Patent:NL293201 xref: Patent:US3539573 xref: PMID:18690109 {source="Europe PMC"} xref: PMID:18766167 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:24219174 {source="Europe PMC"} xref: Reaxys:764984 {source="Reaxys"} xref: Wikipedia:Clozapine is_a: CHEBI:22720 ! benzodiazepine is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:46920 ! N-methylpiperazine relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37887 ! adrenergic antagonist relationship: has_role CHEBI:37956 ! histamine antagonist relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist relationship: has_role CHEBI:65191 ! second generation antipsychotic relationship: has_role CHEBI:65259 ! GABA antagonist relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H19ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZUDBNBUXVUHMW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.12982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1=C(C2=CC=CC=C2NC3=CC=C(C=C13)Cl)N4CCN(CC4)C" xsd:string [Term] id: CHEBI:37661 name: glucopyranose namespace: chebi_ontology subset: 3_STAR synonym: "glucopyranose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:17234 ! glucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:37667 name: sesquiterpene lactone namespace: chebi_ontology def: "Any member of a diverse class of complex, multicyclic phytochemicals showing a variety of skeleton arrangements and bioactivities, and having in common a sesquiterpenoid structure including a lactone ring." [] subset: 3_STAR synonym: "sesquiterpene lactones" RELATED [ChEBI] is_a: CHEBI:26658 ! sesquiterpenoid is_a: CHEBI:37668 ! terpene lactone [Term] id: CHEBI:37668 name: terpene lactone namespace: chebi_ontology subset: 3_STAR synonym: "terpene lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:37670 name: protease inhibitor namespace: chebi_ontology def: "A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases)." [] subset: 3_STAR synonym: "protease inhibitors" RELATED [ChEBI] xref: Wikipedia:Protease_inhibitor_(biology) is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:37697 name: indolocarbazole alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "indolocarbazole alkaloids" RELATED [ChEBI] synonym: "indolocarbazoles" RELATED [ChEBI] is_a: CHEBI:38958 ! indole alkaloid is_a: CHEBI:51915 ! indolocarbazole [Term] id: CHEBI:37699 name: protein kinase inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases." [] subset: 3_STAR synonym: "protein kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:37700 name: EC 2.7.11.13 (protein kinase C) inhibitor namespace: chebi_ontology def: "An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13)." [] subset: 3_STAR synonym: "ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitor" RELATED [ChEBI] synonym: "ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitors" RELATED [ChEBI] synonym: "calcium-dependent protein kinase C inhibitor" RELATED [ChEBI] synonym: "calcium-dependent protein kinase C inhibitors" RELATED [ChEBI] synonym: "calcium-independent protein kinase C inhibitor" RELATED [ChEBI] synonym: "calcium-independent protein kinase C inhibitors" RELATED [ChEBI] synonym: "calcium/phospholipid dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "calcium/phospholipid dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "cPKC inhibitor" RELATED [ChEBI] synonym: "cPKC inhibitors" RELATED [ChEBI] synonym: "cPKCalpha inhibitor" RELATED [ChEBI] synonym: "cPKCalpha inhibitors" RELATED [ChEBI] synonym: "cPKCbeta inhibitor" RELATED [ChEBI] synonym: "cPKCbeta inhibitors" RELATED [ChEBI] synonym: "cPKCgamma inhibitor" RELATED [ChEBI] synonym: "cPKCgamma inhibitors" RELATED [ChEBI] synonym: "EC 2.7.11.13 (protein kinase C) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.11.13 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.11.13 inhibitors" RELATED [ChEBI] synonym: "nPKC inhibitor" RELATED [ChEBI] synonym: "nPKC inhibitors" RELATED [ChEBI] synonym: "nPKCdelta inhibitor" RELATED [ChEBI] synonym: "nPKCdelta inhibitors" RELATED [ChEBI] synonym: "nPKCepsilon inhibitor" RELATED [ChEBI] synonym: "nPKCepsilon inhibitors" RELATED [ChEBI] synonym: "nPKCeta inhibitor" RELATED [ChEBI] synonym: "nPKCeta inhibitors" RELATED [ChEBI] synonym: "nPKCtheta inhibitor" RELATED [ChEBI] synonym: "nPKCtheta inhibitors" RELATED [ChEBI] synonym: "PKC inhibitor" RELATED [ChEBI] synonym: "PKC inhibitors" RELATED [ChEBI] synonym: "Pkc1p inhibitor" RELATED [ChEBI] synonym: "Pkc1p inhibitors" RELATED [ChEBI] synonym: "PKCalpha inhibitor" RELATED [ChEBI] synonym: "PKCalpha inhibitors" RELATED [ChEBI] synonym: "PKCbeta inhibitor" RELATED [ChEBI] synonym: "PKCbeta inhibitors" RELATED [ChEBI] synonym: "PKCdelta inhibitor" RELATED [ChEBI] synonym: "PKCdelta inhibitors" RELATED [ChEBI] synonym: "PKCepsilon inhibitor" RELATED [ChEBI] synonym: "PKCepsilon inhibitors" RELATED [ChEBI] synonym: "PKCgamma inhibitor" RELATED [ChEBI] synonym: "PKCgamma inhibitors" RELATED [ChEBI] synonym: "PKCzeta inhibitor" RELATED [ChEBI] synonym: "PKCzeta inhibitors" RELATED [ChEBI] synonym: "PKN3 inhibitor" RELATED [ChEBI] synonym: "PKN3 inhibitors" RELATED [ChEBI] synonym: "protein kinase C (EC 2.7.11.13) inhibitor" RELATED [ChEBI] synonym: "protein kinase C (EC 2.7.11.13) inhibitors" RELATED [ChEBI] synonym: "protein kinase C inhibitor" RELATED [ChEBI] synonym: "protein kinase C inhibitors" RELATED [ChEBI] synonym: "protein kinase Cepsilon inhibitor" RELATED [ChEBI] synonym: "protein kinase Cepsilon inhibitors" RELATED [ChEBI] synonym: "STK24 inhibitor" RELATED [ChEBI] synonym: "STK24 inhibitors" RELATED [ChEBI] is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor [Term] id: CHEBI:37716 name: mixed diacylamine namespace: chebi_ontology def: "Any imide in which the acyl substituents are any two from carboacyl, sulfonyl and phosphoryl" [] subset: 3_STAR synonym: "mixed diacylamines" RELATED [ChEBI] is_a: CHEBI:24782 ! imide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37733 name: EC 3.1.1.8 (cholinesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8)." [] subset: 3_STAR synonym: "anticholineesterase inhibitor" RELATED [ChEBI] synonym: "anticholineesterase inhibitors" RELATED [ChEBI] synonym: "anticholinesterase" RELATED [ChEBI] synonym: "anticholinesterases" RELATED [ChEBI] synonym: "BChE inhibitor" RELATED [ChEBI] synonym: "BChE inhibitors" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitor" RELATED [ChEBI] synonym: "benzoylcholinesterase inhibitors" RELATED [ChEBI] synonym: "BtChoEase inhibitor" RELATED [ChEBI] synonym: "BtChoEase inhibitors" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholine esterase inhibitors" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitor" RELATED [ChEBI] synonym: "butyrylcholinesterase inhibitors" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitor" RELATED [ChEBI] synonym: "choline esterase II (unspecific) inhibitors" RELATED [ChEBI] synonym: "choline esterase inhibitor" RELATED [ChEBI] synonym: "choline esterase inhibitors" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitor" RELATED [ChEBI] synonym: "cholinesterase (EC 3.1.1.8) inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 (cholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.8 inhibitors" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitor" RELATED [ChEBI] synonym: "non-specific cholinesterase inhibitors" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitor" RELATED [ChEBI] synonym: "propionylcholinesterase inhibitors" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitor" RELATED [ChEBI] synonym: "pseudocholinesterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:37734 name: phosphoric ester namespace: chebi_ontology alt_id: CHEBI:26019 subset: 1_STAR is_a: CHEBI:26079 ! phosphoric acid derivative is_a: CHEBI:35701 ! ester [Term] id: CHEBI:37735 name: phosphonic ester namespace: chebi_ontology alt_id: CHEBI:26068 alt_id: CHEBI:4861 def: "A phosphonic acid derivative in which one or both OH groups have been esterified." [] subset: 3_STAR synonym: "phosphonate esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester is_a: CHEBI:37588 ! phosphonic acid derivative [Term] id: CHEBI:37739 name: glycerophospholipid namespace: chebi_ontology alt_id: CHEBI:24362 alt_id: CHEBI:5456 def: "Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone." [] subset: 3_STAR synonym: "glycerophospholipids" RELATED [ChEBI] synonym: "phosphatide" RELATED [ChEBI] synonym: "phosphatides" RELATED [ChEBI] synonym: "phosphoglyceride" RELATED [ChEBI] synonym: "phosphoglycerides" RELATED [ChEBI] xref: PMID:17393491 {source="Europe PMC"} is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:35741 ! glycerolipid [Term] id: CHEBI:37749 name: halogen oxide namespace: chebi_ontology subset: 3_STAR synonym: "halogen oxide" EXACT [ChEBI] synonym: "halogen oxides" RELATED [ChEBI] is_a: CHEBI:24471 ! halogen molecular entity is_a: CHEBI:24836 ! inorganic oxide [Term] id: CHEBI:37750 name: chlorine oxide namespace: chebi_ontology subset: 3_STAR synonym: "chlorine oxides" RELATED [ChEBI] is_a: CHEBI:37749 ! halogen oxide [Term] id: CHEBI:37757 name: iodoalkane namespace: chebi_ontology def: "Any haloalkane carrying at least one iodo group." [] subset: 3_STAR synonym: "alkyl iodide" RELATED [ChEBI] synonym: "alkyl iodides" RELATED [ChEBI] synonym: "iodoalkane" EXACT [ChEBI] synonym: "iodoalkanes" RELATED [ChEBI] is_a: CHEBI:24469 ! haloalkane [Term] id: CHEBI:37758 name: iodoform namespace: chebi_ontology alt_id: CHEBI:29364 alt_id: CHEBI:31706 subset: 3_STAR synonym: "carbon triiodide" RELATED [ChemIDplus] synonym: "CHI3" RELATED [IUPAC] synonym: "iodoform" EXACT IUPAC_NAME [IUPAC] synonym: "Jodoform" RELATED [NIST_Chemistry_WebBook] synonym: "triiodomethane" RELATED [NIST_Chemistry_WebBook] xref: CAS:75-47-8 {source="NIST Chemistry WebBook"} xref: CAS:75-47-8 {source="ChemIDplus"} xref: Drug_Central:4579 {source="DrugCentral"} xref: KEGG:D01910 is_a: CHEBI:39284 ! iodomethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHI3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHI3/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKJPEAGHQZHRQV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "393.73205" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "393.72124" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(I)(I)I" xsd:string [Term] id: CHEBI:37761 name: metal hydride namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33242 ! inorganic hydride [Term] id: CHEBI:37765 name: halohalide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24471 ! halogen molecular entity [Term] id: CHEBI:37775 name: molybdenum oxide namespace: chebi_ontology subset: 3_STAR synonym: "molybdenum oxides" RELATED [ChEBI] is_a: CHEBI:35202 ! molybdenum coordination entity [Term] id: CHEBI:37784 name: sulfinic acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "derivatives of sulfinic acid" RELATED [ChEBI] synonym: "sulfinic acid derivative" EXACT [ChEBI] synonym: "sulfinic acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:29213 ! sulfinic acid [Term] id: CHEBI:37786 name: acyclic phosphorus acid anhydride namespace: chebi_ontology subset: 3_STAR synonym: "acyclic phosphorus acid anhydrides" RELATED [ChEBI] is_a: CHEBI:36608 ! acyclic acid anhydride [Term] id: CHEBI:37793 name: amino sulfonic acid namespace: chebi_ontology def: "An organosulfonic acid containing one or more amino groups." [] subset: 3_STAR synonym: "amino sulfonic acids" RELATED [ChEBI] synonym: "aminosulfonic acid" RELATED [ChEBI] synonym: "aminosulfonic acids" RELATED [ChEBI] is_a: CHEBI:33551 ! organosulfonic acid is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:37808 name: butane namespace: chebi_ontology alt_id: CHEBI:22945 alt_id: CHEBI:25462 alt_id: CHEBI:44430 def: "A straight chain alkane composed of 4 carbon atoms." [] comment: LanguaL term definition: Food additive; technological purpose(s): propellant. subset: 3_STAR synonym: "butane" EXACT IUPAC_NAME [IUPAC] synonym: "butane" EXACT [UniProt] synonym: "E 943a" RELATED [ChEBI] synonym: "E-943a" RELATED [ChEBI] synonym: "E943a" RELATED [ChEBI] synonym: "n-Butan" RELATED [ChEBI] synonym: "N-BUTANE" RELATED [PDBeChem] synonym: "n-butane" RELATED [NIST_Chemistry_WebBook] synonym: "n-C4H10" RELATED [NIST_Chemistry_WebBook] synonym: "R-600" RELATED [ChEBI] xref: Beilstein:969129 {source="Beilstein"} xref: CAS:106-97-8 {source="ChemIDplus"} xref: CAS:106-97-8 {source="NIST Chemistry WebBook"} xref: Codex:\:943a xref: Europe:\:943a xref: Gmelin:1148 {source="Gmelin"} xref: http://www.langual.org/langual_thesaurus.asp?termid=B4409 xref: PDBeChem:NBU xref: PMID:24179026 {source="Europe PMC"} xref: Reaxys:969129 {source="Reaxys"} xref: Wikipedia:Butane is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane is_a: FOODON:03412972 ! food additive relationship: has_role CHEBI:78017 ! food propellant relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IJDNQMDRQITEOD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.12220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC" xsd:string property_value: IAO:0000118 "butane" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37825 name: p-toluidine namespace: chebi_ontology def: "An aminotoluene in which the amino substituent is para to the methyl group." [] subset: 3_STAR synonym: "4-Aminotoluene" RELATED [ChemIDplus] synonym: "4-aminotoluene" RELATED [UniProt] synonym: "4-methylaniline" EXACT IUPAC_NAME [IUPAC] synonym: "4-Methylbenzenamine" RELATED [ChEBI] synonym: "4-Toluidine" RELATED [ChemIDplus] synonym: "p-Methylbenzenamine" RELATED [ChemIDplus] synonym: "p-Tolylamine" RELATED [ChEBI] xref: Beilstein:471281 {source="Beilstein"} xref: CAS:106-49-0 {source="NIST Chemistry WebBook"} xref: CAS:106-49-0 {source="ChemIDplus"} xref: PMID:24285397 {source="Europe PMC"} xref: PMID:24428433 {source="Europe PMC"} xref: Reaxys:471281 {source="Reaxys"} is_a: CHEBI:22531 ! aminotoluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZXMPPFPUUCRFN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.15310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(N)cc1" xsd:string [Term] id: CHEBI:37826 name: sulfuric acid derivative namespace: chebi_ontology subset: 3_STAR synonym: "sulfuric acid derivative" EXACT [ChEBI] synonym: "sulfuric acid derivatives" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative relationship: has_functional_parent CHEBI:26836 ! sulfuric acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37830 name: pentane namespace: chebi_ontology alt_id: CHEBI:25888 alt_id: CHEBI:25889 alt_id: CHEBI:43771 def: "A straight chain alkane consisting of 5 carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]3-CH3" RELATED [IUPAC] synonym: "n-pentane" RELATED [NIST_Chemistry_WebBook] synonym: "Pentan" RELATED [NIST_Chemistry_WebBook] synonym: "PENTANE" EXACT [PDBeChem] synonym: "pentane" EXACT IUPAC_NAME [IUPAC] synonym: "R-601" RELATED [ChEBI] xref: Beilstein:969132 {source="Beilstein"} xref: CAS:109-66-0 {source="NIST Chemistry WebBook"} xref: CAS:109-66-0 {source="ChemIDplus"} xref: Gmelin:1766 {source="Gmelin"} xref: HMDB:HMDB0029603 xref: PDBeChem:LNK xref: PMID:14664856 {source="Europe PMC"} xref: PMID:24284369 {source="Europe PMC"} xref: PMID:24702114 {source="Europe PMC"} xref: Wikipedia:Pentane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFBQJSOFQDEBGM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.14878" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC" xsd:string [Term] id: CHEBI:37834 name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene namespace: chebi_ontology subset: 3_STAR synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:9499933 {source="Beilstein"} is_a: CHEBI:37835 ! alkatetraene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H34" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H34/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h9,11-12,14-15,17-18,20H,3-8,10,13,16,19H2,1-2H3/b11-9-,14-12-,17-15-,20-18-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GATCEMOYCMSXRC-BSEOOTKBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "274.48396" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.26605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC" xsd:string [Term] id: CHEBI:37835 name: alkatetraene namespace: chebi_ontology def: "Acyclic branched or unbranched hydrocarbons having four carbon-carbon double bonds." [] subset: 3_STAR synonym: "alkatetraene" EXACT IUPAC_NAME [IUPAC] synonym: "alkatetraenes" EXACT IUPAC_NAME [IUPAC] synonym: "alkatetraenes" RELATED [ChEBI] is_a: CHEBI:33645 ! acyclic olefin [Term] id: CHEBI:37838 name: carboacyl group namespace: chebi_ontology def: "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR synonym: "carboacyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl group" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl groups" RELATED [IUPAC] is_a: CHEBI:22221 ! acyl group relationship: is_substituent_group_from CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:37848 name: plant hormone namespace: chebi_ontology alt_id: CHEBI:26158 def: "A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "phytohormone" RELATED [ChEBI] synonym: "phytohormones" RELATED [ChEBI] synonym: "plant growth factor" RELATED [ChEBI] synonym: "plant growth factors" RELATED [ChEBI] synonym: "plant growth hormone" RELATED [ChEBI] synonym: "plant growth hormones" RELATED [ChEBI] synonym: "plant hormones" RELATED [ChEBI] xref: Wikipedia:Phytohormone is_a: CHEBI:24621 ! hormone is_a: CHEBI:26155 ! plant growth regulator [Term] id: CHEBI:37853 name: phosphate salt is_a: CHEBI:26020 ! phosphate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37863 name: chalcoperoxol namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:36962 ! organochalcogen compound [Term] id: CHEBI:37886 name: adrenergic agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates adrenergic receptors." [] subset: 3_STAR synonym: "adrenergic agonists" RELATED [ChEBI] synonym: "adrenergic receptor agonist" RELATED [ChEBI] synonym: "adrenoceptor agonists" RELATED [IUPHAR] synonym: "adrenomimetic" RELATED [ChEBI] synonym: "adrenomimetics" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:37887 name: adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists." [] subset: 3_STAR synonym: "adrenergic antagonists" RELATED [ChEBI] synonym: "adrenergic blockaders" RELATED [ChEBI] synonym: "adrenergic blocker" RELATED [ChEBI] synonym: "adrenergic blockers" RELATED [ChEBI] synonym: "adrenergic receptor blockaders" RELATED [ChEBI] synonym: "adrenoceptor antagonists" RELATED [IUPHAR] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:37890 name: alpha-adrenergic antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma." [] subset: 3_STAR synonym: "alpha-adrenergic antagonists" RELATED [ChEBI] synonym: "alpha-adrenergic blocker" RELATED [ChEBI] synonym: "alpha-adrenergic blockers" RELATED [ChEBI] synonym: "alpha-adrenergic receptor blockaders" RELATED [ChEBI] synonym: "alpha-adrenoceptor antagonists" RELATED [IUPHAR] is_a: CHEBI:37887 ! adrenergic antagonist is_a: CHEBI:48539 ! alpha-adrenergic drug [Term] id: CHEBI:37910 name: indene namespace: chebi_ontology alt_id: CHEBI:24791 alt_id: CHEBI:35303 subset: 3_STAR synonym: "indene" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.06260" xsd:string [Term] id: CHEBI:37912 name: hydroxycoumarin namespace: chebi_ontology alt_id: CHEBI:24691 alt_id: CHEBI:24692 def: "Any coumarin carrying at least one hydroxy substituent." [] subset: 3_STAR synonym: "hydroxycoumarins" RELATED [ChEBI] is_a: CHEBI:23403 ! coumarins [Term] id: CHEBI:37921 name: pyridazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38313 ! diazines [Term] id: CHEBI:37930 name: phenothiazine antipsychotic drug namespace: chebi_ontology subset: 3_STAR synonym: "phenothiazine antipsychotic drugs" RELATED [ChEBI] synonym: "phenothiazine antipsychotics" RELATED [ChEBI] synonym: "phenothiazine neuroleptics" RELATED [ChEBI] is_a: CHEBI:65190 ! first generation antipsychotic [Term] id: CHEBI:37931 name: 10H-phenothiazine namespace: chebi_ontology def: "The 10H-tautomer of phenothiazine." [] subset: 3_STAR synonym: "10H-Phenothiazin" RELATED [NIST_Chemistry_WebBook] synonym: "10H-phenothiazine" EXACT IUPAC_NAME [IUPAC] synonym: "dibenzo-1,4-thiazine" RELATED [ChemIDplus] synonym: "phenothiazine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:143237 {source="Beilstein"} xref: CAS:92-84-2 {source="ChemIDplus"} xref: CAS:92-84-2 {source="NIST Chemistry WebBook"} xref: LINCS:LSM-3324 xref: PMID:25382702 {source="Europe PMC"} xref: PMID:26661932 {source="Europe PMC"} xref: Reaxys:143237 {source="Reaxys"} xref: Wikipedia:Phenothiazine is_a: CHEBI:37932 ! phenothiazine relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_tautomer_of CHEBI:37933 ! 4aH-phenothiazine relationship: is_tautomer_of CHEBI:37934 ! 1H-phenothiazine relationship: is_tautomer_of CHEBI:37935 ! 3H-phenothiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJFKNYWRSNBZNX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.27260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.04557" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1c2ccccc2Sc2ccccc12" xsd:string [Term] id: CHEBI:37932 name: phenothiazine namespace: chebi_ontology subset: 3_STAR synonym: "Phenothiazin" RELATED [ChEBI] synonym: "phenothiazine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36416 ! mancude organic heterotricyclic parent is_a: CHEBI:38093 ! phenothiazines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.273" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.04557" xsd:string [Term] id: CHEBI:37933 name: 4aH-phenothiazine namespace: chebi_ontology subset: 3_STAR synonym: "4aH-phenothiazine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1211644 {source="Beilstein"} is_a: CHEBI:37932 ! phenothiazine relationship: is_tautomer_of CHEBI:37931 ! 10H-phenothiazine relationship: is_tautomer_of CHEBI:37934 ! 1H-phenothiazine relationship: is_tautomer_of CHEBI:37935 ! 3H-phenothiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UTOHXUCINHSOMQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.27260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.04557" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S1C2C=CC=CC2=Nc2ccccc12" xsd:string [Term] id: CHEBI:37934 name: 1H-phenothiazine namespace: chebi_ontology subset: 3_STAR synonym: "1H-phenothiazine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37932 ! phenothiazine relationship: is_tautomer_of CHEBI:37931 ! 10H-phenothiazine relationship: is_tautomer_of CHEBI:37933 ! 4aH-phenothiazine relationship: is_tautomer_of CHEBI:37935 ! 3H-phenothiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-8H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWXDTDWOYQPERX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.27260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.04557" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CC=C2Sc3ccccc3N=C12" xsd:string [Term] id: CHEBI:37935 name: 3H-phenothiazine namespace: chebi_ontology subset: 3_STAR synonym: "3H-phenothiazine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37932 ! phenothiazine relationship: is_tautomer_of CHEBI:37931 ! 10H-phenothiazine relationship: is_tautomer_of CHEBI:37933 ! 4aH-phenothiazine relationship: is_tautomer_of CHEBI:37934 ! 1H-phenothiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-3,5-8H,4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIICCGOYRVMEPV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.27260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.04557" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CC2=Nc3ccccc3SC2=C1" xsd:string [Term] id: CHEBI:37941 name: clopidogrel namespace: chebi_ontology def: "A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks." [] subset: 3_STAR synonym: "(+)-Clopidogrel" RELATED [ChEBI] synonym: "clopidogrel" RELATED INN [WHO_MedNet] synonym: "clopidogrelum" RELATED INN [ChemIDplus] synonym: "methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8151914 {source="Beilstein"} xref: CAS:113665-84-2 {source="ChemIDplus"} xref: Drug_Central:708 {source="DrugCentral"} xref: DrugBank:DB00758 xref: LINCS:LSM-5415 xref: Patent:EP281459 xref: Patent:EP99802 xref: Patent:US4529596 xref: Patent:US4847265 xref: PMID:10983738 {source="Europe PMC"} xref: PMID:11095576 {source="Europe PMC"} xref: PMID:11701941 {source="Europe PMC"} xref: PMID:16802846 {source="Europe PMC"} xref: PMID:18520712 {source="Europe PMC"} xref: PMID:18708826 {source="Europe PMC"} xref: PMID:19573725 {source="Europe PMC"} xref: Wikipedia:Clopidogrel is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:37942 ! thienopyridine is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:9588 ! ticlopidine relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:68563 ! P2Y12 receptor antagonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16ClNO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKTWGGQPFAXNFI-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "321.82200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "321.05903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl" xsd:string [Term] id: CHEBI:37942 name: thienopyridine namespace: chebi_ontology def: "Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene." [] subset: 3_STAR synonym: "thienopyridines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:37944 name: polysaccharide sulfate def: "Any carbohydrate sulfate that is a polysaccharide carrying at least one O-sulfo substituent." [] is_a: CHEBI:35724 ! carbohydrate sulfate is_a: CHEBI:65212 ! polysaccharide derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37947 name: benzothiazoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:37948 name: oxaspiro compound namespace: chebi_ontology def: "A spiro compound in which at least one of the cyclic components is an oxygen heterocyle." [] subset: 3_STAR synonym: "oxaspiro compounds" RELATED [ChEBI] is_a: CHEBI:33599 ! spiro compound [Term] id: CHEBI:37949 name: azacycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "azacycloalkanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:37955 name: H1-receptor antagonist namespace: chebi_ontology def: "H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine." [] subset: 3_STAR synonym: "classical antihistamines" RELATED [ChEBI] synonym: "classical antihistaminics" RELATED [ChEBI] synonym: "H1 antihistaminics" RELATED [ChEBI] synonym: "H1 receptor antagonists" RELATED [IUPHAR] synonym: "H1 receptor blockaders" RELATED [ChEBI] synonym: "H1-receptor antagonists" RELATED [ChEBI] synonym: "H1-receptor blocker" RELATED [ChEBI] synonym: "H1-receptor blockers" RELATED [ChEBI] xref: PMID:22035879 {source="Europe PMC"} is_a: CHEBI:37956 ! histamine antagonist [Term] id: CHEBI:37956 name: histamine antagonist namespace: chebi_ontology def: "Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists." [] subset: 3_STAR synonym: "antihistamine" RELATED [ChEBI] synonym: "antihistamines" RELATED [ChEBI] synonym: "antihistaminico" RELATED [ChEBI] synonym: "antihistaminics" RELATED [ChEBI] synonym: "histamine receptor blocker" RELATED [ChEBI] synonym: "histamine receptor blockers" RELATED [ChEBI] xref: PMID:22035879 {source="Europe PMC"} xref: Wikipedia:Antihistamines is_a: CHEBI:37957 ! histaminergic drug is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:37957 name: histaminergic drug namespace: chebi_ontology def: "Drugs used for their actions on histaminergic systems." [] subset: 3_STAR synonym: "histamine agents" RELATED [ChEBI] synonym: "histamine drugs" RELATED [ChEBI] synonym: "histaminergic agent" RELATED [ChEBI] synonym: "histaminergic agents" RELATED [ChEBI] synonym: "histaminergic drugs" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:37958 name: dye namespace: chebi_ontology subset: 3_STAR synonym: "colorante" RELATED [ChEBI] synonym: "colorantes" RELATED [ChEBI] synonym: "dyes" RELATED [ChEBI] synonym: "Farbstoff" RELATED [ChEBI] synonym: "Farbstoffe" RELATED [ChEBI] synonym: "teinture" RELATED [ChEBI] synonym: "teintures" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:37961 name: H2-receptor antagonist namespace: chebi_ontology def: "H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine." [] subset: 3_STAR synonym: "H2 receptor antagonists" RELATED [IUPHAR] synonym: "H2 receptor blockaders" RELATED [ChEBI] synonym: "H2-receptor blocker" RELATED [ChEBI] synonym: "H2-receptor blockers" RELATED [ChEBI] synonym: "histamine H2 receptor antagonist" RELATED [ChEBI] synonym: "histamine H2 receptor antagonists" RELATED [ChEBI] is_a: CHEBI:37956 ! histamine antagonist [Term] id: CHEBI:37962 name: adrenergic agent namespace: chebi_ontology def: "Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter." [] subset: 3_STAR synonym: "adrenergic agents" RELATED [ChEBI] synonym: "adrenergic drug" RELATED [ChEBI] synonym: "adrenergic drugs" RELATED [ChEBI] synonym: "adrenergic neuron agents" RELATED [ChEBI] synonym: "adrenergics" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:37963 name: pyranone namespace: chebi_ontology def: "Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent." [] subset: 3_STAR synonym: "oxopyrans" RELATED [ChEBI] synonym: "pyranone" EXACT [ChEBI] synonym: "pyranones" RELATED [ChEBI] synonym: "pyrone" RELATED [ChEBI] synonym: "pyrones" RELATED [ChEBI] is_a: CHEBI:26407 ! pyrans [Term] id: CHEBI:37997 name: homopolymer macromolecule namespace: chebi_ontology def: "A macromolecule derived from one species of (real, implicit or hypothetical) monomer." [] subset: 3_STAR synonym: "homopolymer" EXACT IUPAC_NAME [IUPAC] synonym: "homopolymer molecule" RELATED [ChEBI] synonym: "homopolymer molecules" RELATED [ChEBI] synonym: "homopolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule [Term] id: CHEBI:38001 name: 2,6-diaminopurines namespace: chebi_ontology def: "Any aminopurine that has amino substituents at positions 2 and 6, and their substituted derivatives." [] subset: 3_STAR synonym: "2,6-diaminopurines" EXACT [ChEBI] is_a: CHEBI:22527 ! aminopurine [Term] id: CHEBI:38032 name: carbotricyclic compound namespace: chebi_ontology def: "A carbopolyclic compound comprising of three carbocyclic rings." [] subset: 3_STAR synonym: "carbotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:35294 ! carbopolycyclic compound is_a: CHEBI:51959 ! organic tricyclic compound [Term] id: CHEBI:38034 name: aminonaphthalene namespace: chebi_ontology subset: 3_STAR synonym: "aminonaphthalenes" RELATED [ChEBI] is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:38044 name: trioxane namespace: chebi_ontology subset: 3_STAR synonym: "trioxane" EXACT IUPAC_NAME [IUPAC] synonym: "trioxanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string [Term] id: CHEBI:38056 name: triazine namespace: chebi_ontology def: "Any of three isomers generated by replacing three of the carbon atoms of benzene with nitrogen atoms." [] subset: 3_STAR synonym: "Triazin" RELATED [ChEBI] synonym: "triazine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:38102 ! triazines is_a: CHEBI:38179 ! monocyclic heteroarene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.03270" xsd:string [Term] id: CHEBI:38060 name: triazine insecticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:38067 name: propazine namespace: chebi_ontology alt_id: CHEBI:26297 alt_id: CHEBI:34937 def: "A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6." [] subset: 3_STAR synonym: "2,4-bis(isopropylamino)-6-chloro-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine" RELATED [KEGG_COMPOUND] synonym: "2-chloro-4,6-bis(isopropylamino)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine" RELATED [IUPAC] synonym: "6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine" RELATED [NIST_Chemistry_WebBook] synonym: "Propazine" EXACT [KEGG_COMPOUND] synonym: "Prozinex" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:747081 {source="Beilstein"} xref: CAS:139-40-2 {source="ChemIDplus"} xref: CAS:139-40-2 {source="NIST Chemistry WebBook"} xref: CAS:139-40-2 {source="KEGG COMPOUND"} xref: KEGG:C14312 xref: LINCS:LSM-20981 xref: Pesticides:propazine {source="Alan Wood's Pesticides"} xref: PMID:16986790 {source="Europe PMC"} xref: PMID:23875679 {source="Europe PMC"} xref: PPDB:548 xref: Reaxys:747081 {source="Reaxys"} xref: UM-BBD_compID:c0253 {source="UM-BBD"} is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJNRPILHGGKWCK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.70974" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.10942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)Nc1nc(Cl)nc(NC(C)C)n1" xsd:string [Term] id: CHEBI:38068 name: antimalarial namespace: chebi_ontology def: "A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human." [] subset: 3_STAR synonym: "antimalarials" RELATED [ChEBI] is_a: CHEBI:64915 ! antiplasmodial drug [Term] id: CHEBI:38069 name: cyanazine namespace: chebi_ontology alt_id: CHEBI:23421 alt_id: CHEBI:34658 def: "A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively." [] subset: 3_STAR synonym: "2-([4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino)-2-methylpropanenitrile" RELATED [NIST_Chemistry_WebBook] synonym: "2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrile" RELATED [NIST_Chemistry_WebBook] synonym: "2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine" RELATED [ChemIDplus] synonym: "2-chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine" RELATED [ChEBI] synonym: "2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Bladex" RELATED [NIST_Chemistry_WebBook] synonym: "Cyanazine" EXACT [KEGG_COMPOUND] synonym: "Fortrol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:615509 {source="Beilstein"} xref: CAS:21725-46-2 {source="ChemIDplus"} xref: CAS:21725-46-2 {source="NIST Chemistry WebBook"} xref: CAS:21725-46-2 {source="KEGG COMPOUND"} xref: KEGG:C14299 xref: Pesticides:cyanazine {source="Alan Wood's Pesticides"} xref: PMID:16882534 {source="Europe PMC"} xref: PMID:23762632 {source="Europe PMC"} xref: PMID:24607126 {source="Europe PMC"} xref: PMID:24631619 {source="Europe PMC"} xref: PPDB:185 xref: Reaxys:615509 {source="Reaxys"} xref: UM-BBD_compID:c0176 {source="UM-BBD"} is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38176 ! 1,3,5-triazinylamino nitrile relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13ClN6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZZBPDKVEFVLFF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.69266" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.08902" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(NC(C)(C)C#N)n1" xsd:string [Term] id: CHEBI:38070 name: anti-arrhythmia drug namespace: chebi_ontology def: "A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres." [] subset: 3_STAR synonym: "anti-arrhythmia agent" RELATED [ChEBI] synonym: "antiarrhythmic agent" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:38071 name: 1,3,5-triazine-2,4-diamine namespace: chebi_ontology subset: 3_STAR synonym: "1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-diamino-s-triazine" RELATED [ChemIDplus] synonym: "2,6-diamino-s-triazine" RELATED [ChemIDplus] synonym: "4,6-diamino-s-triazine" RELATED [ChemIDplus] synonym: "diamino-s-triazine" RELATED [ChemIDplus] synonym: "formoguanamine" RELATED [ChemIDplus] synonym: "guanamine" RELATED [ChemIDplus] xref: Beilstein:113526 {source="Beilstein"} xref: CAS:504-08-5 {source="ChemIDplus"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZXTWGWHSMCWGA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "111.10550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.05450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc(N)n1" xsd:string [Term] id: CHEBI:38074 name: 2-chloro-1,3,5-triazine namespace: chebi_ontology subset: 3_STAR synonym: "2-chloro-1,3,5-triazine" EXACT IUPAC_NAME [IUPAC] synonym: "chloro-s-triazine" RELATED [ChEBI] is_a: CHEBI:38168 ! chloro-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2ClN3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2ClN3/c4-3-6-1-5-2-7-3/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HTSVYUUXJSMGQC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.52090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.99372" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ncncn1" xsd:string [Term] id: CHEBI:38077 name: polypyrrole namespace: chebi_ontology def: "A compound composed of two or more pyrrole units." [] subset: 3_STAR synonym: "poly(pyrrole)s" RELATED [ChEBI] synonym: "polypyrroles" RELATED [ChEBI] synonym: "PPys" RELATED [ChEBI] xref: Beilstein:8538310 {source="Beilstein"} is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38079 name: 1,3-dithiolane namespace: chebi_ontology subset: 3_STAR synonym: "1,3-dithiacyclopentane" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-dithiolane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:102455 {source="Beilstein"} xref: CAS:4829-04-3 {source="ChemIDplus"} xref: CAS:4829-04-3 {source="NIST Chemistry WebBook"} xref: Gmelin:82036 {source="Gmelin"} is_a: CHEBI:38335 ! dithiolane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IMLSAISZLJGWPP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.21174" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.99109" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CSCS1" xsd:string [Term] id: CHEBI:38083 name: malonate ester namespace: chebi_ontology def: "An ester of malonic acid; any compound containing a malonate ester skeleton." [] subset: 3_STAR synonym: "malonate" RELATED [ChEBI] synonym: "malonate esters" RELATED [ChEBI] synonym: "malonates" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:30794 ! malonic acid [Term] id: CHEBI:38085 name: 2-benzofuran-1(3H)-one namespace: chebi_ontology def: "A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group." [] subset: 3_STAR synonym: "1(3H)-isobenzofuranone" RELATED [NIST_Chemistry_WebBook] synonym: "1-Phthalanone" RELATED [ChemIDplus] synonym: "2-benzofuran-1(3H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxymethylbenzoic acid, gamma-lactone" RELATED [ChemIDplus] synonym: "3-oxo-1,3-dihydro-isobenzofuran" RELATED [ChEBI] synonym: "isobenzofuranone" RELATED [ChEBI] synonym: "phthalide" RELATED [ChemIDplus] synonym: "Phthalolactone" RELATED [ChemIDplus] xref: CAS:87-41-2 {source="NIST Chemistry WebBook"} xref: CAS:87-41-2 {source="ChemIDplus"} xref: HMDB:HMDB0032469 xref: PMID:23462848 {source="Europe PMC"} xref: Reaxys:114632 {source="Reaxys"} xref: Wikipedia:Phthalide is_a: CHEBI:37581 ! gamma-lactone is_a: CHEBI:38831 ! 2-benzofurans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNZQDUSMALZDQF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.13200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1OCc2ccccc12" xsd:string [Term] id: CHEBI:38088 name: sultone namespace: chebi_ontology def: "An intramolecular cyclic ester of a hydroxy sulfonic acid, analogous to lactone." [] subset: 3_STAR synonym: "sultones" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35701 ! ester [Term] id: CHEBI:38092 name: cardenolide glycoside namespace: chebi_ontology alt_id: CHEBI:23035 alt_id: CHEBI:38080 alt_id: CHEBI:38082 def: "Any member of the class of cardenolides with glycosyl residues attached to position 3." [] subset: 3_STAR synonym: "5alpha-cardenolide glycoside" RELATED [ChEBI] synonym: "5beta-cardenolide glycoside" RELATED [ChEBI] is_a: CHEBI:74634 ! cardenolides is_a: CHEBI:83970 ! cardiac glycoside [Term] id: CHEBI:38093 name: phenothiazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26979 ! organic heterotricyclic compound [Term] id: CHEBI:38099 name: thiadiazoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound [Term] id: CHEBI:38101 name: organonitrogen heterocyclic compound namespace: chebi_ontology def: "Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms." [] subset: 3_STAR synonym: "heterocyclic organonitrogen compounds" RELATED [ChEBI] synonym: "organonitrogen heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:35352 ! organonitrogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38102 name: triazines namespace: chebi_ontology def: "Compounds based on a triazine skeleton." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:50893 ! azaarene [Term] id: CHEBI:38104 name: oxacycle namespace: chebi_ontology def: "Any organic heterocyclic compound containing at least one ring oxygen atom." [] subset: 3_STAR synonym: "heterocyclic organooxygen compounds" RELATED [ChEBI] synonym: "organooxygen heterocyclic compounds" RELATED [ChEBI] synonym: "oxacycles" RELATED [ChEBI] xref: PMID:17134300 {source="Europe PMC"} is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38105 name: gitoxigenin namespace: chebi_ontology subset: 3_STAR synonym: "16beta-Hydroxydigitoxigenin" RELATED [ChemIDplus] synonym: "3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:96483 {source="Beilstein"} xref: CAS:545-26-6 {source="ChemIDplus"} is_a: CHEBI:17354 ! 16beta-hydroxy steroid is_a: CHEBI:36836 ! 3beta-hydroxy steroid is_a: CHEBI:36862 ! 14beta-hydroxy steroid relationship: has_parent_hydride CHEBI:35542 ! 5beta-cardanolide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H34O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVAMXWLZJKTXFW-VQMOFDJESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "390.51306" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.24062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2" xsd:string [Term] id: CHEBI:38106 name: organosulfur heterocyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic organosulfur compounds" RELATED [ChEBI] synonym: "organosulfur heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33261 ! organosulfur compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38124 name: dialdehyde namespace: chebi_ontology def: "Any aldehyde with two aldehyde groups." [] subset: 3_STAR synonym: "bialdehyde" RELATED [ChEBI] synonym: "bialdehydes" RELATED [ChEBI] synonym: "dialdehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:38127 name: thiocarbamic ester namespace: chebi_ontology def: "Any organonitrogen compound with formula RS-C(=X)NH2 where X = O (monothiocarbamic esters) or S (dithiocarbamic esters), or their N-substituted derivatives." [] subset: 3_STAR synonym: "thiocarbamate" RELATED [ChEBI] synonym: "thiocarbamates" RELATED [ChEBI] synonym: "thiocarbamic ester" EXACT [ChEBI] is_a: CHEBI:26959 ! thiocarboxylic ester is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:38128 name: monothiocarbamic ester namespace: chebi_ontology def: "A thiocarbamic ester formally derived from a monothiocarbamic acid." [] subset: 3_STAR synonym: "carbamothioates" RELATED [ChEBI] synonym: "monothiocarbamic ester" EXACT [ChEBI] synonym: "thiocarbamates" RELATED [ChEBI] is_a: CHEBI:38127 ! thiocarbamic ester [Term] id: CHEBI:38129 name: dithiocarbamic ester namespace: chebi_ontology def: "Any ester derived from a member of the class of dithiocarbamic acids by formal replacement of the -SH group by -SR, where R is an organyl group." [] subset: 3_STAR synonym: "carbamodithioates" RELATED [ChEBI] synonym: "carbamodithioic esters" RELATED [ChEBI] synonym: "dithiocarbamic ester" EXACT [ChEBI] synonym: "dithiocarbamoates" RELATED [ChEBI] is_a: CHEBI:38127 ! thiocarbamic ester [Term] id: CHEBI:38131 name: lactol namespace: chebi_ontology def: "Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues." [] subset: 3_STAR synonym: "lactol" EXACT [IUPAC] synonym: "lactols" EXACT IUPAC_NAME [IUPAC] synonym: "lactols" RELATED [ChEBI] xref: Wikipedia:Lactol is_a: CHEBI:5653 ! hemiacetal [Term] id: CHEBI:38147 name: cardiotonic drug namespace: chebi_ontology def: "A drug that has a strengthening effect on the heart or that can increase cardiac output." [] subset: 3_STAR synonym: "cardiotonic drugs" RELATED [ChEBI] is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:38155 name: phytosiderophore namespace: chebi_ontology alt_id: CHEBI:26122 alt_id: CHEBI:38117 def: "Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron." [] subset: 3_STAR synonym: "Phytosiderophor" RELATED [ChEBI] synonym: "phytosiderophores" RELATED [ChEBI] is_a: CHEBI:24028 ! iron(3+) chelator is_a: CHEBI:24874 ! iron ionophore [Term] id: CHEBI:38157 name: iron chelator namespace: chebi_ontology subset: 3_STAR synonym: "iron chelating agents" RELATED [ChEBI] synonym: "iron chelators" RELATED [ChEBI] is_a: CHEBI:38161 ! chelator [Term] id: CHEBI:38161 name: chelator namespace: chebi_ontology alt_id: CHEBI:23090 alt_id: CHEBI:3585 alt_id: CHEBI:6789 def: "A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate." [] subset: 3_STAR synonym: "Chelating agent" RELATED [KEGG_COMPOUND] synonym: "chelating agents" RELATED [ChEBI] synonym: "chelators" RELATED [ChEBI] synonym: "complexon" RELATED [ChEBI] synonym: "Metal chelator" RELATED [KEGG_COMPOUND] xref: KEGG:C00917 xref: KEGG:C02169 is_a: CHEBI:52214 ! ligand [Term] id: CHEBI:38163 name: organic heterotetracyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heterotetracyclic compounds" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:38164 name: organic heteropentacyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heteropentacyclic compounds" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:38165 name: organic heterooctacyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic heterooctacyclic compounds" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:38166 name: organic heteropolycyclic compound namespace: chebi_ontology alt_id: CHEBI:25429 alt_id: CHEBI:38075 subset: 3_STAR synonym: "organic heteropolycyclic compounds" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33671 ! heteropolycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38168 name: chloro-1,3,5-triazine namespace: chebi_ontology def: "A member of the class of 1,3,5-triazines that is 1,3,5-triazine substituted by at least one chloro group at unspecified position." [] subset: 3_STAR synonym: "chloro-1,3,5-triazines" RELATED [ChEBI] is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:38170 name: diamino-1,3,5-triazine namespace: chebi_ontology def: "Any member of the class of 1,3,5-triazines that consists of a 1,3,5-triazine skeleton substituted by two amino groups." [] subset: 3_STAR synonym: "diamino-1,3,5-triazines" RELATED [ChEBI] is_a: CHEBI:23666 ! diamine is_a: CHEBI:26588 ! 1,3,5-triazines [Term] id: CHEBI:38174 name: methylthio-1,3,5-triazine namespace: chebi_ontology subset: 3_STAR synonym: "methylthio-1,3,5-triazines" RELATED [ChEBI] is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:86315 ! methyl sulfide [Term] id: CHEBI:38176 name: 1,3,5-triazinylamino nitrile namespace: chebi_ontology def: "Any diamino-1,3,5-triazine in which the amino group is substituted by at least one cyano group." [] subset: 3_STAR synonym: "1,3,5-triazinylamino nitriles" RELATED [ChEBI] is_a: CHEBI:18379 ! nitrile is_a: CHEBI:38170 ! diamino-1,3,5-triazine [Term] id: CHEBI:38177 name: methoxy-1,3,5-triazine namespace: chebi_ontology def: "Any member of the class of 1,3,5-triazines substituted by at least one methoxy group." [] subset: 3_STAR synonym: "methoxy-1,3,5-triazines" RELATED [ChEBI] is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:35618 ! aromatic ether [Term] id: CHEBI:38179 name: monocyclic heteroarene namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic heteroarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38180 name: polycyclic heteroarene namespace: chebi_ontology subset: 3_STAR synonym: "polycyclic heteroarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38181 name: pyridinemonocarboxylate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'." [] subset: 3_STAR synonym: "pyridinemonocarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26420 ! pyridinemonocarboxylic acid [Term] id: CHEBI:38184 name: picolinate namespace: chebi_ontology def: "A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid." [] subset: 3_STAR synonym: "picolinate" EXACT [UniProt] synonym: "pyridine-2-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:PICOLINATE is_a: CHEBI:38181 ! pyridinemonocarboxylate relationship: is_conjugate_base_of CHEBI:28747 ! picolinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SIOXPEMLGUPBBT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.10150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)c1ccccn1" xsd:string [Term] id: CHEBI:38193 name: phenylpyridine namespace: chebi_ontology subset: 3_STAR synonym: "phenylpyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:38207 name: aminopyridine namespace: chebi_ontology def: "Compounds containing a pyridine skeleton substituted by one or more amine groups." [] subset: 3_STAR synonym: "aminopyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:33860 ! aromatic amine [Term] id: CHEBI:38210 name: aminonaphthalenesulfonic acid namespace: chebi_ontology def: "A naphthalenesulfonic acid having at least one amino substituent." [] subset: 3_STAR synonym: "aminonaphthalenesulfonic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36336 ! naphthalenesulfonic acid is_a: CHEBI:37793 ! amino sulfonic acid is_a: CHEBI:38034 ! aminonaphthalene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.03031" xsd:string [Term] id: CHEBI:38211 name: potassium bromate namespace: chebi_ontology subset: 3_STAR synonym: "Bromic acid, potassium salt" RELATED [ChemIDplus] synonym: "E924" RELATED [ChEBI] synonym: "potassium bromate" EXACT IUPAC_NAME [IUPAC] synonym: "potassium trioxidobromate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "potassium trioxobromate" RELATED [NIST_Chemistry_WebBook] xref: CAS:7758-01-2 {source="KEGG COMPOUND"} xref: CAS:7758-01-2 {source="ChemIDplus"} xref: Gmelin:15380 {source="Gmelin"} xref: KEGG:C19295 is_a: CHEBI:22923 ! bromate salt is_a: CHEBI:26218 ! potassium salt relationship: has_role CHEBI:64577 ! flour treatment agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrKO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrO3.K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OCATYIAKPYKMPG-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.00050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.86679" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[O-]Br(=O)=O" xsd:string [Term] id: CHEBI:38214 name: monuron namespace: chebi_ontology def: "A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups." [] subset: 3_STAR synonym: "1,1-Dimethyl-3-(p-chlorophenyl)urea" RELATED [ChemIDplus] synonym: "3-(4-chlorophenyl)-1,1-dimethylurea" EXACT IUPAC_NAME [IUPAC] synonym: "3-(p-Chlorophenyl)-1,1-dimethylurea" RELATED [ChemIDplus] synonym: "CMU" RELATED [NIST_Chemistry_WebBook] synonym: "monuron" EXACT [UniProt] synonym: "N'-(4-chlorophenyl)-N,N-dimethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-Dimethyl-N'-(4-chlorophenyl)urea" RELATED [ChemIDplus] synonym: "N-(4-chlorophenyl)-N',N'-dimethylurea" RELATED [IUPAC] xref: Beilstein:2097922 {source="Beilstein"} xref: CAS:150-68-5 {source="KEGG COMPOUND"} xref: CAS:150-68-5 {source="NIST Chemistry WebBook"} xref: CAS:150-68-5 {source="ChemIDplus"} xref: KEGG:C19087 xref: MetaCyc:CPD-23255 xref: Pesticides:monuron {source="Alan Wood's Pesticides"} xref: PPDB:476 xref: Reaxys:2097922 {source="Reaxys"} is_a: CHEBI:157693 ! 3-(3,4-substituted-phenyl)-1,1-dimethylurea is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11ClN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BMLIZLVNXIYGCK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.64900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.05599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)Nc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:38215 name: calcium channel blocker namespace: chebi_ontology def: "One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools." [] subset: 3_STAR synonym: "calcium channel antagonist" RELATED [ChEBI] synonym: "calcium channel antagonists" RELATED [ChEBI] synonym: "calcium channel blockers" RELATED [ChEBI] is_a: CHEBI:38808 ! calcium channel modulator is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:38218 name: isophthalonitrile namespace: chebi_ontology subset: 3_STAR synonym: "1,3-Benzenedicarbonitrile" RELATED [NIST_Chemistry_WebBook] synonym: "1,3-Dicyanobenzene" RELATED [ChemIDplus] synonym: "3-Cyanobenzonitrile" RELATED [ChemIDplus] synonym: "benzene-1,3-dicarbonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "IPN" RELATED [NIST_Chemistry_WebBook] synonym: "Isophthalodinitrile" RELATED [NIST_Chemistry_WebBook] synonym: "m-Dicyanobenzene" RELATED [ChemIDplus] xref: Beilstein:2038364 {source="Beilstein"} xref: CAS:626-17-5 {source="ChemIDplus"} xref: CAS:626-17-5 {source="NIST Chemistry WebBook"} is_a: CHEBI:18379 ! nitrile relationship: has_functional_parent CHEBI:30802 ! isophthalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LAQPNDIUHRHNCV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.13084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#Cc1cccc(c1)C#N" xsd:string [Term] id: CHEBI:38222 name: hydrocarbyl anion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:38231 name: phytotoxin namespace: chebi_ontology def: "Any toxin produced by a plant." [] subset: 3_STAR synonym: "phytotoxins" RELATED [ChEBI] is_a: CHEBI:27026 ! toxin is_a: CHEBI:76924 ! plant metabolite [Term] id: CHEBI:38234 name: DNA polymerase inhibitor namespace: chebi_ontology def: "Any inhibitor of a DNA polymerase." [] subset: 3_STAR is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor [Term] id: CHEBI:38260 name: pyrrolidines namespace: chebi_ontology alt_id: CHEBI:26922 alt_id: CHEBI:38191 def: "Any of a class of heterocyclic amines having a saturated five-membered ring." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38261 name: imidazolidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38304 ! diazolidine [Term] id: CHEBI:38275 name: pyrrolidinone namespace: chebi_ontology subset: 3_STAR synonym: "pyrrolidinones" RELATED [ChEBI] is_a: CHEBI:38260 ! pyrrolidines [Term] id: CHEBI:38290 name: L-ascorbate namespace: chebi_ontology alt_id: CHEBI:13082 alt_id: CHEBI:13861 def: "The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants." [] subset: 3_STAR synonym: "(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate" EXACT IUPAC_NAME [IUPAC] synonym: "Ascorbate" RELATED [KEGG_COMPOUND] synonym: "L-Ascorbate" EXACT [KEGG_COMPOUND] synonym: "L-ascorbate" EXACT [UniProt] synonym: "L-ascorbate(1-)" RELATED [ChEBI] synonym: "L-ascorbic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Vitamin C" RELATED [KEGG_COMPOUND] xref: Beilstein:3549814 {source="Beilstein"} xref: CAS:299-36-5 {source="ChemIDplus"} xref: Chemspider:10239162 xref: Gmelin:506552 {source="Gmelin"} xref: KEGG:C00072 xref: MetaCyc:ASCORBATE xref: PMID:18450228 {source="Europe PMC"} xref: PMID:18678913 {source="Europe PMC"} xref: PMID:19162177 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} is_a: CHEBI:176783 ! vitamin C is_a: CHEBI:22651 ! ascorbate relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: is_conjugate_base_of CHEBI:29073 ! L-ascorbic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIWBSHSKHKDKBQ-JLAZNSOCSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.11618" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.02481" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO" xsd:string [Term] id: CHEBI:38295 name: azabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "azabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38297 name: thiabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "thiabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38298 name: benzodioxoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:38304 name: diazolidine namespace: chebi_ontology subset: 3_STAR synonym: "diazolidines" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38311 name: cephem namespace: chebi_ontology subset: 3_STAR synonym: "cephems" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:27933 ! beta-lactam antibiotic is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38313 name: diazines namespace: chebi_ontology def: "Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure)." [] subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38314 name: pyrazines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38313 ! diazines [Term] id: CHEBI:38315 name: beta-D-arabinoside namespace: chebi_ontology subset: 3_STAR synonym: "beta-D-arabinosides" RELATED [ChEBI] is_a: CHEBI:22601 ! arabinoside [Term] id: CHEBI:38317 name: EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor namespace: chebi_ontology alt_id: CHEBI:50380 def: "An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27)." [] subset: 3_STAR synonym: "4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitor" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitors" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate dioxygenase inhibitor" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate dioxygenase inhibitors" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate hydroxylase inhibitor" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate hydroxylase inhibitors" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitor" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitors" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvic acid dioxygenase inhibitor" RELATED [ChEBI] synonym: "4-hydroxyphenylpyruvic acid dioxygenase inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.27 inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.27 inhibitors" RELATED [ChEBI] synonym: "HPPD inhibitor" RELATED [ChEBI] synonym: "HPPD inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate dioxygenase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate dioxygenase inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate hydroxylase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate hydroxylase inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate oxidase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvate oxidase inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic acid hydroxylase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic acid hydroxylase inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic hydroxylase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic hydroxylase inhibitors" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic oxidase inhibitor" RELATED [ChEBI] synonym: "p-hydroxyphenylpyruvic oxidase inhibitors" RELATED [ChEBI] is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] id: CHEBI:38321 name: mesotrione namespace: chebi_ontology def: "An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group." [] subset: 3_STAR synonym: "(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione" RELATED [ChemIDplus] synonym: "2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione" RELATED [ChEBI] synonym: "2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione" RELATED [ChEBI] synonym: "2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione" RELATED [ChEBI] synonym: "Tenacity" RELATED BRAND_NAME [ChEBI] xref: CAS:104206-82-8 {source="ChemIDplus"} xref: Patent:WO2011016018 xref: Pesticides:mesotrione {source="Alan Wood's Pesticides"} xref: PMID:11455642 {source="Europe PMC"} xref: PMID:20692682 {source="Europe PMC"} xref: PPDB:442 xref: Reaxys:8999656 {source="Reaxys"} xref: Wikipedia:Mesotrione is_a: CHEBI:140323 ! beta-triketone is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:35850 ! sulfone is_a: CHEBI:76224 ! aromatic ketone relationship: has_functional_parent CHEBI:41308 ! benzophenone relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38317 ! EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H13NO7S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KPUREKXXPHOJQT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "339.32156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "339.04127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:38323 name: cholinergic drug namespace: chebi_ontology def: "Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons." [] subset: 3_STAR synonym: "cholinergic agent" RELATED [ChEBI] synonym: "cholinergic drugs" RELATED [ChEBI] synonym: "cholinomimetic" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:38324 name: cholinergic agonist namespace: chebi_ontology def: "Any drug that binds to and activates cholinergic receptors." [] subset: 3_STAR synonym: "acetylcholine agonist" RELATED [ChEBI] synonym: "acetylcholine agonists" RELATED [ChEBI] synonym: "acetylcholine receptor agonist" RELATED [IUPHAR] synonym: "cholinergic agonists" RELATED [ChEBI] synonym: "cholinomimetic" RELATED [ChEBI] synonym: "cholinomimetics" RELATED [ChEBI] is_a: CHEBI:38323 ! cholinergic drug [Term] id: CHEBI:38325 name: muscarinic agonist namespace: chebi_ontology def: "Any drug that binds to and activates a muscarinic cholinergic receptor." [] subset: 3_STAR synonym: "muscarinic acetylcholine receptor agonist" RELATED [ChEBI] synonym: "muscarinic agonists" RELATED [ChEBI] synonym: "muscarinic cholinergic agonist" RELATED [ChEBI] synonym: "muscarinic cholinergic agonists" RELATED [ChEBI] is_a: CHEBI:38324 ! cholinergic agonist [Term] id: CHEBI:38329 name: oxazolidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:38335 name: dithiolane namespace: chebi_ontology alt_id: CHEBI:38078 alt_id: CHEBI:38334 subset: 3_STAR synonym: "dithiolane" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:39192 ! dithiolanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.99109" xsd:string [Term] id: CHEBI:38337 name: pyrimidone namespace: chebi_ontology def: "A pyrimidine carrying one or more oxo substituents." [] subset: 3_STAR synonym: "pyrimidones" RELATED [ChEBI] is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:38338 name: aminopyrimidine namespace: chebi_ontology def: "A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives." [] subset: 3_STAR synonym: "aminopyrimidines" RELATED [ChEBI] is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:39447 ! pyrimidines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38340 name: hydroxypyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "hydroxypyrimidines" RELATED [ChEBI] is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:74818 ! heteroaryl hydroxy compound [Term] id: CHEBI:38355 name: hex-4-enoic acid namespace: chebi_ontology def: "A hexenoic acid with the double bond at position 4." [] subset: 3_STAR synonym: "4-hexenoic acid" RELATED [LIPID_MAPS] synonym: "4-hexenoic acids" RELATED [ChEBI] synonym: "gamma-hexenoic acid" RELATED [LIPID_MAPS] synonym: "gamma-hexenoic acids" RELATED [ChEBI] synonym: "hex-4-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hex-4-enoic acids" RELATED [ChEBI] xref: Beilstein:1720995 {source="Beilstein"} xref: LIPID_MAPS_instance:LMFA01030010 {source="LIPID MAPS"} is_a: CHEBI:24580 ! hexenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIDHFQDUBOVBKZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.14240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C)=CCCC(O)=O" xsd:string [Term] id: CHEBI:38363 name: hept-6-enoic acid namespace: chebi_ontology def: "A heptenoic acid with the double bond at position 6." [] subset: 3_STAR synonym: "6-heptenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "6-heptenoic acids" RELATED [ChEBI] synonym: "epsilon-heptenoic acid" RELATED [LIPID_MAPS] synonym: "epsilon-heptenoic acids" RELATED [ChEBI] synonym: "hept-6-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hept-6-enoic acids" RELATED [ChEBI] xref: CAS:1119-60-4 {source="ChemIDplus"} xref: CAS:1119-60-4 {source="NIST Chemistry WebBook"} xref: LIPID_MAPS_instance:LMFA01030016 {source="LIPID MAPS"} is_a: CHEBI:36151 ! heptenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWNJOXUVHRXHSD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.16898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCCC=C" xsd:string [Term] id: CHEBI:38397 name: perfluorononanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Heptadecafluornonansaeure" RELATED [ChEBI] synonym: "heptadecafluorononanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Heptadekafluornonansaeure" RELATED [ChEBI] synonym: "Perfluornonansaeure" RELATED [ChEBI] synonym: "perfluoro-n-nonanoic acid" RELATED [ChemIDplus] synonym: "perfluorononan-1-oic acid" RELATED [ChemIDplus] synonym: "perfluorononanoic acid" EXACT [NIST_Chemistry_WebBook] synonym: "PFNA" RELATED [ChEBI] xref: Beilstein:1897287 {source="Beilstein"} xref: CAS:375-95-1 {source="ChemIDplus"} xref: CAS:375-95-1 {source="NIST Chemistry WebBook"} xref: Gmelin:317302 {source="Gmelin"} xref: PMID:17093205 {source="Europe PMC"} xref: PMID:23601780 {source="Europe PMC"} xref: PMID:24246240 {source="Europe PMC"} xref: PMID:24295853 {source="Europe PMC"} xref: Reaxys:1897287 {source="Reaxys"} xref: Wikipedia:Perfluorononanoic_acid is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:29019 ! nonanoic acid relationship: has_role CHEBI:35195 ! surfactant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9HF17O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UZUFPBIDKMEQEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "464.07590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "463.97051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:38418 name: 1,3-thiazoles namespace: chebi_ontology alt_id: CHEBI:26949 alt_id: CHEBI:38417 subset: 3_STAR synonym: "1,3-thiazoles" EXACT [ChEBI] is_a: CHEBI:48901 ! thiazoles property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38419 name: saturated organic heterobicyclic parent namespace: chebi_ontology subset: 3_STAR synonym: "saturated organic heterobicyclic parents" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:36388 ! saturated organic heterocyclic parent [Term] id: CHEBI:38443 name: 1-benzopyran namespace: chebi_ontology subset: 3_STAR synonym: "1-benzopyrans" RELATED [ChEBI] is_a: CHEBI:22727 ! benzopyran property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38445 name: chromenone namespace: chebi_ontology subset: 3_STAR synonym: "chromenones" RELATED [ChEBI] is_a: CHEBI:23232 ! chromenes [Term] id: CHEBI:38449 name: methoxyfenozide namespace: chebi_ontology def: "A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively." [] subset: 3_STAR synonym: "3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide" RELATED [ChemIDplus] synonym: "methoxyfenozide" EXACT [ChemIDplus] synonym: "N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide" RELATED [ChemIDplus] synonym: "N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide" EXACT IUPAC_NAME [IUPAC] synonym: "N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide" RELATED [ChemIDplus] xref: Beilstein:8435860 {source="Beilstein"} xref: CAS:161050-58-4 {source="ChemIDplus"} xref: CAS:161050-58-4 {source="KEGG COMPOUND"} xref: KEGG:C18525 xref: Pesticides:methoxyfenozide {source="Alan Wood's Pesticides"} xref: PPDB:461 xref: Reaxys:8435860 {source="Reaxys"} is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:35363 ! carbohydrazide relationship: has_functional_parent CHEBI:38457 ! N'-benzoyl-N-(tert-butyl)benzohydrazide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H28N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QCAWEPFNJXQPAN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "368.46940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.20999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C" xsd:string [Term] id: CHEBI:38452 name: tebufenozide namespace: chebi_ontology def: "A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by tert-butyl, 3,5-dimethylbenzoyl and 4-ethylbenzoyl groups respectively. It is an insecticide used widely against caterpillars." [] subset: 3_STAR synonym: "3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide" RELATED [ChemIDplus] synonym: "N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine" RELATED [ChemIDplus] synonym: "N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" EXACT IUPAC_NAME [IUPAC] synonym: "tebufenozide" EXACT [ChemIDplus] xref: Beilstein:7822297 {source="Beilstein"} xref: CAS:112410-23-8 {source="KEGG COMPOUND"} xref: CAS:112410-23-8 {source="ChemIDplus"} xref: KEGG:C18526 xref: Patent:CN103553255 xref: Patent:CN103766364 xref: Pesticides:tebufenozide {source="Alan Wood's Pesticides"} xref: PMID:14745824 {source="Europe PMC"} xref: PMID:15759403 {source="Europe PMC"} xref: PMID:22730139 {source="Europe PMC"} xref: PMID:24121094 {source="Europe PMC"} xref: PPDB:611 xref: Reaxys:7822297 {source="Reaxys"} xref: Wikipedia:Tebufenozide is_a: CHEBI:35363 ! carbohydrazide relationship: has_functional_parent CHEBI:38457 ! N'-benzoyl-N-(tert-butyl)benzohydrazide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38456 ! ecdysone agonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H28N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYPNKSZPJQQLRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "352.47000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "352.21508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C" xsd:string [Term] id: CHEBI:38453 name: 1,2-dibenzoylhydrazine namespace: chebi_ontology subset: 3_STAR synonym: "1,2-dibenzoylhydrazine" EXACT [NIST_Chemistry_WebBook] synonym: "benzoic acid, 2-benzoylhydrazide" RELATED [ChemIDplus] synonym: "C6H5-CO-NH-NH-CO-C6H5" RELATED [IUPAC] synonym: "dibenzoylhydrazine" RELATED [ChemIDplus] synonym: "N'-benzoylbenzohydrazide" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-dibenzoylhydrazine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:523810 {source="Beilstein"} xref: CAS:787-84-8 {source="ChemIDplus"} xref: CAS:787-84-8 {source="NIST Chemistry WebBook"} xref: Gmelin:281733 {source="Gmelin"} is_a: CHEBI:35363 ! carbohydrazide relationship: has_functional_parent CHEBI:38454 ! benzohydrazide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRRIYLZJLGTQJX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.25736" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(NNC(=O)c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:38454 name: benzohydrazide namespace: chebi_ontology subset: 3_STAR synonym: "benzhydrazide" RELATED [NIST_Chemistry_WebBook] synonym: "benzohydrazide" EXACT IUPAC_NAME [IUPAC] synonym: "benzoic acid, hydrazide" RELATED [NIST_Chemistry_WebBook] synonym: "benzoic hydrazide" RELATED [NIST_Chemistry_WebBook] synonym: "benzoylhydrazine" RELATED [ChemIDplus] synonym: "C6H5-CO-NH-NH2" RELATED [IUPAC] xref: Beilstein:471797 {source="Beilstein"} xref: CAS:613-94-5 {source="ChemIDplus"} xref: CAS:613-94-5 {source="NIST Chemistry WebBook"} xref: Gmelin:68991 {source="Gmelin"} is_a: CHEBI:35363 ! carbohydrazide relationship: has_functional_parent CHEBI:30746 ! benzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WARCRYXKINZHGQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.15130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.06366" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NNC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:38455 name: bisacylhydrazine insecticide namespace: chebi_ontology subset: 3_STAR synonym: "bisacylhydrazine insecticides" RELATED [ChEBI] synonym: "diacylhydrazine insecticides" RELATED [ChEBI] is_a: CHEBI:35363 ! carbohydrazide relationship: has_role CHEBI:38456 ! ecdysone agonist [Term] id: CHEBI:38456 name: ecdysone agonist namespace: chebi_ontology subset: 3_STAR synonym: "ecdysone agonists" RELATED [ChEBI] synonym: "ecdysone mimetic" RELATED [ChEBI] is_a: CHEBI:24851 ! insect growth regulator [Term] id: CHEBI:38457 name: N'-benzoyl-N-(tert-butyl)benzohydrazide namespace: chebi_ontology subset: 3_STAR synonym: "benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide" RELATED [ChemIDplus] synonym: "N'-benzoyl-N-(tert-butyl)benzohydrazide" EXACT IUPAC_NAME [IUPAC] synonym: "N'-benzoyl-N-tert-butylbenzohydrazide" RELATED [IUPAC] synonym: "RH 5849" RELATED [ChemIDplus] xref: Beilstein:4257030 {source="Beilstein"} xref: CAS:112225-87-3 {source="ChemIDplus"} is_a: CHEBI:38455 ! bisacylhydrazine insecticide relationship: has_functional_parent CHEBI:38453 ! 1,2-dibenzoylhydrazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H20N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NISLLQUWIJASOV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.36368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.15248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1" xsd:string [Term] id: CHEBI:38459 name: oxindoles namespace: chebi_ontology def: "Any member of the class of indolones whose structure is based on an oxindole (2-indolone) skeleton." [] subset: 3_STAR is_a: CHEBI:24829 ! indolones is_a: CHEBI:74222 ! gamma-lactam [Term] id: CHEBI:38461 name: carbamate insecticide namespace: chebi_ontology def: "Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR(1)R(2), where ROH is an alcohol, oxime, or phenol and R(1) is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief." [] subset: 3_STAR synonym: "carbamate insecticides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide is_a: CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor [Term] id: CHEBI:38462 name: EC 3.1.1.7 (acetylcholinesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid." [] subset: 3_STAR synonym: "AcCholE inhibitor" RELATED [ChEBI] synonym: "AcCholE inhibitors" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetyl.beta-methylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine acetylhydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholine esterase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitor" RELATED [ChEBI] synonym: "acetylcholine hydrolase inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase (EC 3.1.1.7) inhibitors" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylcholinesterase inhibitors" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitor" RELATED [ChEBI] synonym: "acetylthiocholinesterase inhibitors" RELATED [ChEBI] synonym: "AChEI" RELATED [ChEBI] synonym: "choline esterase I inhibitor" RELATED [ChEBI] synonym: "choline esterase I inhibitors" RELATED [ChEBI] synonym: "cholinesterase inhibitor" RELATED [ChEBI] synonym: "cholinesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 (acetylcholinesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.7 inhibitors" RELATED [ChEBI] synonym: "true cholinesterase inhibitor" RELATED [ChEBI] synonym: "true cholinesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Acetylcholinesterase_inhibitor is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:38467 name: indolyl alcohol namespace: chebi_ontology subset: 3_STAR synonym: "indolyl alcohols" RELATED [ChEBI] is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24828 ! indoles [Term] id: CHEBI:38468 name: indol-3-yl carboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "indol-3-yl carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion [Term] id: CHEBI:38472 name: acetonitrile namespace: chebi_ontology alt_id: CHEBI:22185 alt_id: CHEBI:30972 alt_id: CHEBI:41432 def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group." [] subset: 3_STAR synonym: "ACETONITRILE" EXACT [PDBeChem] synonym: "acetonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "CH3-C#N" RELATED [IUPAC] synonym: "cyanomethane" RELATED [NIST_Chemistry_WebBook] synonym: "ethanenitrile" RELATED [NIST_Chemistry_WebBook] synonym: "MeCN" RELATED [IUPAC] synonym: "methyl cyanide" RELATED [IUPAC] synonym: "NCMe" RELATED [ChEBI] xref: Beilstein:741857 {source="Beilstein"} xref: CAS:75-05-8 {source="ChemIDplus"} xref: CAS:75-05-8 {source="NIST Chemistry WebBook"} xref: Gmelin:895 {source="Gmelin"} xref: PDBeChem:CCN xref: PMID:17347819 {source="Europe PMC"} xref: PMID:19100763 {source="Europe PMC"} xref: PMID:20370615 {source="Europe PMC"} xref: PMID:985423 {source="Europe PMC"} xref: PPDB:1349 xref: Reaxys:741857 {source="Reaxys"} xref: Wikipedia:Acetonitrile is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:80291 ! aliphatic nitrile relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:77941 ! EC 3.5.1.4 (amidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N/c1-2-3/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.05196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC#N" xsd:string [Term] id: CHEBI:38481 name: alkaloid ester namespace: chebi_ontology subset: 3_STAR synonym: "alkaloid esters" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:33308 ! carboxylic ester [Term] id: CHEBI:38482 name: indole alkaloid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "indole alkaloid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35506 ! alkaloid fundamental parent [Term] id: CHEBI:38494 name: benzoylurea insecticide namespace: chebi_ontology subset: 3_STAR synonym: "benzoylurea insecticides" RELATED [ChEBI] is_a: CHEBI:134043 ! phenylureas is_a: CHEBI:74266 ! N-acylurea relationship: has_functional_parent CHEBI:39416 ! N-benzoylurea relationship: has_role CHEBI:39379 ! lepidopteran inhibitor of chitin biosynthesis [Term] id: CHEBI:38495 name: aluminium phosphide namespace: chebi_ontology subset: 3_STAR synonym: "aluminium phosphide" EXACT IUPAC_NAME [IUPAC] synonym: "aluminum monophosphide" RELATED [NIST_Chemistry_WebBook] synonym: "aluminum phosphide" RELATED [ChemIDplus] xref: CAS:20859-73-8 {source="ChemIDplus"} xref: CAS:20859-73-8 {source="NIST Chemistry WebBook"} xref: Gmelin:37808 {source="Gmelin"} is_a: CHEBI:35510 ! aluminium salt relationship: has_role CHEBI:38500 ! EC 1.9.3.1 (cytochrome c oxidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AlP" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al.P/q+3;-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGCGUUGEUBFBPP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.95530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.95530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Al+3].[P-3]" xsd:string [Term] id: CHEBI:38496 name: electron-transport chain inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:38497 name: respiratory-chain inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38496 ! electron-transport chain inhibitor [Term] id: CHEBI:38498 name: mitochondrial NADH:ubiquinone reductase inhibitor namespace: chebi_ontology subset: 3_STAR synonym: "mitochondrial complex I inhibitor" RELATED [ChEBI] synonym: "mitochondrial complex I inhibitors" RELATED [ChEBI] synonym: "mitochondrial NADH dehydrogenase inhibitor" RELATED [ChEBI] is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor is_a: CHEBI:38503 ! EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor [Term] id: CHEBI:38499 name: mitochondrial cytochrome-bc1 complex inhibitor namespace: chebi_ontology subset: 3_STAR synonym: "mitochondrial complex III inhibitor" RELATED [ChEBI] synonym: "mitochondrial complex III inhibitors" RELATED [ChEBI] is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor is_a: CHEBI:38502 ! cytochrome-bc1 complex inhibitor [Term] id: CHEBI:38500 name: EC 1.9.3.1 (cytochrome c oxidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:38501 alt_id: CHEBI:62966 def: "An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1)." [] subset: 3_STAR synonym: "CcO inhibitor" RELATED [ChEBI] synonym: "complex IV (mitochondrial electron transport) inhibitor" RELATED [ChEBI] synonym: "complex IV (mitochondrial electron transport) inhibitors" RELATED [ChEBI] synonym: "cytochrome a3 inhibitor" RELATED [ChEBI] synonym: "cytochrome a3 inhibitors" RELATED [ChEBI] synonym: "cytochrome aa3 inhibitor" RELATED [ChEBI] synonym: "cytochrome aa3 inhibitors" RELATED [ChEBI] synonym: "cytochrome c oxidase (EC 1.9.3.1) inhibitor" RELATED [ChEBI] synonym: "cytochrome c oxidase (EC 1.9.3.1) inhibitors" RELATED [ChEBI] synonym: "cytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "cytochrome oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome oxidase inhibitors" RELATED [ChEBI] synonym: "cytochrome-c oxidase inhibitor" RELATED [ChEBI] synonym: "cytochrome-c oxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.1 (cytochrome c oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.9.3.1 inhibitors" RELATED [ChEBI] synonym: "ferrocytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "ferrocytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "ferrocytochrome-c:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "ferrocytochrome-c:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "indophenol oxidase inhibitor" RELATED [ChEBI] synonym: "indophenol oxidase inhibitors" RELATED [ChEBI] synonym: "indophenolase inhibitor" RELATED [ChEBI] synonym: "indophenolase inhibitors" RELATED [ChEBI] synonym: "mitochondrial complex IV inhibitor" RELATED [ChEBI] synonym: "mitochondrial complex IV inhibitors" RELATED [ChEBI] synonym: "mitochondrial cytochrome-c oxidase inhibitors" RELATED [ChEBI] synonym: "NADH cytochrome c oxidase inhibitor" RELATED [ChEBI] synonym: "NADH cytochrome c oxidase inhibitors" RELATED [ChEBI] synonym: "Warburg's respiratory enzyme inhibitor" RELATED [ChEBI] synonym: "Warburg's respiratory enzyme inhibitors" RELATED [ChEBI] xref: PMID:12969439 {source="Europe PMC"} xref: Wikipedia:Cytochrome_c_oxidase is_a: CHEBI:25355 ! mitochondrial respiratory-chain inhibitor is_a: CHEBI:76870 ! EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor [Term] id: CHEBI:38502 name: cytochrome-bc1 complex inhibitor namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38497 ! respiratory-chain inhibitor [Term] id: CHEBI:38503 name: EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor namespace: chebi_ontology def: "A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H(+)-translocating), EC 1.6.5.3." [] subset: 3_STAR synonym: "coenzyme Q reductase" RELATED [ChEBI] synonym: "complex 1 dehydrogenase inhibitor" RELATED [ChEBI] synonym: "complex I (electron transport chain) inhibitors" RELATED [ChEBI] synonym: "complex I (mitochondrial electron transport) inhibitors" RELATED [ChEBI] synonym: "complex I (NADH:Q1 oxidoreductase) inhibitors" RELATED [ChEBI] synonym: "dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor" RELATED [ChEBI] synonym: "DPNH-coenzyme Q reductase inhibitor" RELATED [ChEBI] synonym: "DPNH-ubiquinone reductase inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors" RELATED [ChEBI] synonym: "EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors" RELATED [ChEBI] synonym: "EC 1.6.5.3 inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.3 inhibitors" RELATED [ChEBI] synonym: "electron transfer complex I inhibitor" RELATED [ChEBI] synonym: "electron transfer complex I inhibitors" RELATED [ChEBI] synonym: "mitochondrial electron transport complex 1 inhibitor" RELATED [ChEBI] synonym: "mitochondrial electron transport complex I inhibitor" RELATED [ChEBI] synonym: "mitochondrial electron transport complex I inhibitors" RELATED [ChEBI] synonym: "NADH coenzyme Q1 reductase inhibitor" RELATED [ChEBI] synonym: "NADH coenzyme Q1 reductase inhibitors" RELATED [ChEBI] synonym: "NADH dehydrogenase (ubiquinone) inhibitor" RELATED [ChEBI] synonym: "NADH dehydrogenase (ubiquinone) inhibitors" RELATED [ChEBI] synonym: "NADH-coenzyme Q oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADH-coenzyme Q reductase inhibitor" RELATED [ChEBI] synonym: "NADH-coenzyme Q reductase inhibitors" RELATED [ChEBI] synonym: "NADH-CoQ oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADH-CoQ oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADH-CoQ reductase inhibitor" RELATED [ChEBI] synonym: "NADH-CoQ reductase inhibitors" RELATED [ChEBI] synonym: "NADH-Q6 oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADH-ubiquinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADH-ubiquinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADH-ubiquinone reductase inhibitor" RELATED [ChEBI] synonym: "NADH-ubiquinone reductase inhibitors" RELATED [ChEBI] synonym: "NADH-ubiquinone-1 reductase inhibitor" RELATED [ChEBI] synonym: "NADH-ubiquinone-1 reductase inhibitors" RELATED [ChEBI] synonym: "NADH2 dehydrogenase (ubiquinone) inhibitor" RELATED [ChEBI] synonym: "NADH:ubiquinone oxidoreductase complex inhibitor" RELATED [ChEBI] synonym: "NADH:ubiquinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADH:ubiquinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADH:ubiquinone reductase (H(+)-translocating) inhibitor" RELATED [ChEBI] synonym: "NADH:ubiquinone reductase (H(+)-translocating) inhibitors" RELATED [ChEBI] synonym: "NADH:ubiquinone reductase (H+-translocating) inhibitor" RELATED [ChEBI] synonym: "NADH:ubiquinone reductase inhibitor" RELATED [ChEBI] synonym: "reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor" RELATED [ChEBI] synonym: "reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors" RELATED [ChEBI] synonym: "type 1 dehydrogenase inhibitor" RELATED [ChEBI] synonym: "type 1 dehydrogenase inhibitors" RELATED [ChEBI] synonym: "ubiquinone reductase inhibitor" RELATED [ChEBI] synonym: "ubiquinone reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:NADH_dehydrogenase_(ubiquinone) is_a: CHEBI:38497 ! respiratory-chain inhibitor is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor [Term] id: CHEBI:38508 name: methiocarb namespace: chebi_ontology def: "A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid." [] subset: 3_STAR synonym: "3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-Dimethyl-4-(methylthio)phenol methylcarbamate" RELATED [ChemIDplus] synonym: "3,5-Dimethyl-4-(methylthio)phenyl methylcarbamate" RELATED [ChemIDplus] synonym: "3,5-Dimethyl-4-methylthiophenyl N-methylcarbamate" RELATED [ChemIDplus] synonym: "4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamate" RELATED [ChemIDplus] synonym: "4-Methylmercapto-3,5-xylyl methylcarbamate" RELATED [ChemIDplus] synonym: "4-Methylthio-3,5-dimethylphenyl methylcarbamate" RELATED [ChemIDplus] synonym: "4-Methylthio-3,5-xylyl methylcarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "mesurol" RELATED [ChEBI] xref: Beilstein:1881431 {source="Beilstein"} xref: CAS:2032-65-7 {source="NIST Chemistry WebBook"} xref: CAS:2032-65-7 {source="ChemIDplus"} xref: CAS:2032-65-7 {source="KEGG COMPOUND"} xref: KEGG:C18651 xref: Pesticides:methiocarb {source="Alan Wood's Pesticides"} xref: PMID:19270930 {source="Europe PMC"} xref: PMID:22623520 {source="Europe PMC"} xref: PMID:24380738 {source="Europe PMC"} xref: PMID:9197969 {source="Europe PMC"} xref: PPDB:457 xref: Reaxys:1881431 {source="Reaxys"} xref: Wikipedia:Methiocarb is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:35683 ! aryl sulfide relationship: has_functional_parent CHEBI:38509 ! 3,5-dimethyl-4-(methylsulfanyl)phenol relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:33904 ! molluscicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H15NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YFBPRJGDJKVWAH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.30834" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.08235" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1cc(C)c(SC)c(C)c1" xsd:string [Term] id: CHEBI:38509 name: 3,5-dimethyl-4-(methylsulfanyl)phenol namespace: chebi_ontology subset: 3_STAR synonym: "3,5-dimethyl-4-(methylsulfanyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-Dimethyl-4-(methylthio)phenol" RELATED [ChemIDplus] synonym: "4-(Methylthio)-3,5-dimethylphenol" RELATED [ChemIDplus] synonym: "4-(Methylthio)-3,5-xylenol" RELATED [ChemIDplus] synonym: "4-Methylthio-3,5-xylenol" RELATED [ChemIDplus] xref: CAS:7379-51-3 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:35683 ! aryl sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JGFZITGNFAVSKU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.25698" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.06089" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1c(C)cc(O)cc1C" xsd:string [Term] id: CHEBI:38514 name: quinoline alkaloid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "quinoline alkaloid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35506 ! alkaloid fundamental parent [Term] id: CHEBI:38515 name: isoquinoline alkaloid fundamental parent namespace: chebi_ontology subset: 3_STAR synonym: "isoquinoline alkaloid fundamental parents" RELATED [ChEBI] is_a: CHEBI:35506 ! alkaloid fundamental parent [Term] id: CHEBI:38530 name: quinazolines namespace: chebi_ontology def: "Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38532 name: hydrazone namespace: chebi_ontology def: "Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues)." [] subset: 3_STAR synonym: "hydrazones" EXACT IUPAC_NAME [IUPAC] synonym: "hydrazones" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:38534 name: 1-(methylsulfanyl)acetaldoxime namespace: chebi_ontology subset: 3_STAR synonym: "1-(Methylthio)acetaldehyde oxime" RELATED [ChemIDplus] synonym: "1-(Methylthio)acetaldoxime" RELATED [ChemIDplus] synonym: "Methomyl oxime" RELATED [ChemIDplus] synonym: "Methyl N-hydroxyacetimidothioate" RELATED [ChemIDplus] synonym: "Methyl N-hydroxyethanimidothioate" RELATED [ChemIDplus] synonym: "methyl N-hydroxyethanimidothioate" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl thioacetohydroxamate" RELATED [ChemIDplus] xref: Beilstein:1901214 {source="Beilstein"} xref: CAS:13749-94-5 {source="ChemIDplus"} is_a: CHEBI:86315 ! methyl sulfide relationship: has_functional_parent CHEBI:51280 ! S-methyl thioacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TYEVWCPZVQACAE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.15982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.02484" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSC(C)=NO" xsd:string [Term] id: CHEBI:38544 name: dimethylcarbamic acid namespace: chebi_ontology def: "An amino acid consisting of carbamic acid having two methyl substituents both attached to the nitrogen." [] subset: 3_STAR synonym: "dimethylcarbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N,N-dimethylcarbamic acid" RELATED [ChEBI] xref: Beilstein:1920740 {source="Beilstein"} xref: CAS:7260-94-8 {source="ChemIDplus"} xref: Reaxys:1920740 {source="Reaxys"} is_a: CHEBI:33709 ! amino acid relationship: has_functional_parent CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DWLVWMUCHSLGSU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(O)=O" xsd:string [Term] id: CHEBI:38545 name: rosuvastatin namespace: chebi_ontology def: "A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer)." [] subset: 3_STAR synonym: "(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid" RELATED [ChemIDplus] synonym: "(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid" RELATED [IUPAC] synonym: "rosuvastatin" RELATED INN [KEGG_DRUG] xref: Beilstein:9670765 {source="Beilstein"} xref: CAS:287714-41-4 {source="ChemIDplus"} xref: Drug_Central:2406 {source="DrugCentral"} xref: DrugBank:DB01098 xref: HMDB:HMDB0015230 xref: KEGG:D08492 xref: Patent:US2013035316 xref: PMID:17970755 {source="Europe PMC"} xref: PMID:18509206 {source="Europe PMC"} xref: PMID:19724024 {source="Europe PMC"} xref: PMID:19956889 {source="Europe PMC"} xref: PMID:23806820 {source="Europe PMC"} xref: PMID:23881596 {source="Europe PMC"} xref: PMID:23944632 {source="Europe PMC"} xref: PMID:24072337 {source="Europe PMC"} xref: PMID:24076283 {source="Europe PMC"} xref: PMID:24076297 {source="Europe PMC"} xref: PMID:24156555 {source="Europe PMC"} xref: PMID:24163149 {source="Europe PMC"} xref: PMID:24230979 {source="Europe PMC"} xref: PMID:24253250 {source="Europe PMC"} xref: PMID:24259612 {source="Europe PMC"} xref: PMID:24304551 {source="Europe PMC"} xref: PMID:24333476 {source="Europe PMC"} xref: PMID:24353409 {source="Europe PMC"} xref: PMID:24410968 {source="Europe PMC"} xref: PMID:24417785 {source="Europe PMC"} xref: PMID:24434545 {source="Europe PMC"} xref: PMID:24440231 {source="Europe PMC"} xref: PMID:24440960 {source="Europe PMC"} xref: PMID:24444439 {source="Europe PMC"} xref: PMID:24452083 {source="Europe PMC"} xref: PMID:24456217 {source="Europe PMC"} xref: PMID:24467235 {source="Europe PMC"} xref: Reaxys:9670765 {source="Reaxys"} xref: Wikipedia:Rosuvastatin is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:83575 ! monofluorobenzenes is_a: CHEBI:87635 ! statin (synthetic) relationship: has_functional_parent CHEBI:38363 ! hept-6-enoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:49205 ! CETP inhibitor relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:77307 ! cardioprotective agent relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:77313 ! rosuvastatin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H28FN3O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPRHUIZQVSMCRT-VEUZHWNKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "481.53800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "481.16828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\C=C\\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O" xsd:string [Term] id: CHEBI:38547 name: 2-isopropoxyphenol namespace: chebi_ontology subset: 3_STAR synonym: "2-(1-methylethoxy)phenol" RELATED [IUPAC] synonym: "2-(propan-2-yloxy)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "2-isopropoxyphenol" EXACT [UniProt] synonym: "o-Isopropoxyphenol" RELATED [ChemIDplus] xref: Beilstein:1937063 {source="Beilstein"} xref: CAS:4812-20-8 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNCUUYCDKVNVJH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.19038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)Oc1ccccc1O" xsd:string [Term] id: CHEBI:38548 name: thiodicarb namespace: chebi_ontology subset: 3_STAR synonym: "Bismethomyl thioether" RELATED [ChemIDplus] synonym: "dimethyl N,N'-[sulfanediylbis(carbamoyloxy)]diethanimidothioate" EXACT IUPAC_NAME [IUPAC] synonym: "N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester" RELATED [ChemIDplus] xref: Beilstein:2015026 {source="Beilstein"} xref: CAS:59669-26-0 {source="ChemIDplus"} xref: CAS:59669-26-0 {source="KEGG COMPOUND"} xref: KEGG:C18423 is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:6835 ! methomyl relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33904 ! molluscicide relationship: has_role CHEBI:38461 ! carbamate insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18N4O4S3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14N4O4S3/c1-5(17-3)9-15-7(13)11-19-12-8(14)16-10-6(2)18-4/h1-4H3,(H,11,13)(H,12,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAKXBZPQTXCKRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.41932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.01772" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSC(C)=NOC(=O)NSNC(=O)ON=C(C)SC" xsd:string [Term] id: CHEBI:38560 name: simple protein namespace: chebi_ontology subset: 3_STAR synonym: "simple proteins" RELATED [ChEBI] is_a: CHEBI:36080 ! protein is_a: PR:000000001 ! protein [Term] id: CHEBI:38570 name: 2,3,5-trimethylphenol namespace: chebi_ontology subset: 3_STAR synonym: "1-Hydroxy-2,3,5-trimethylbenzene" RELATED [ChemIDplus] synonym: "2,3,5-trimethylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "Isopseudocumenol" RELATED [ChemIDplus] xref: Beilstein:2042210 {source="Beilstein"} xref: CAS:697-82-5 {source="NIST Chemistry WebBook"} xref: CAS:697-82-5 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols relationship: has_parent_hydride CHEBI:34039 ! 1,2,4-trimethylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGRAOKJKVGDSFR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.19098" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(C)c(C)c(O)c1" xsd:string [Term] id: CHEBI:38582 name: difluorobenzene namespace: chebi_ontology def: "Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms." [] subset: 3_STAR synonym: "Difluorbenzol" RELATED [ChEBI] synonym: "difluorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "difluorobenzenes" RELATED [ChEBI] is_a: CHEBI:35496 ! fluorobenzenes [Term] id: CHEBI:38584 name: 1,3-difluorobenzene namespace: chebi_ontology def: "A difluorobenzene carrying fluoro groups at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Difluorbenzol" RELATED [ChEBI] synonym: "1,3-difluorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "m-difluorobenzene" RELATED [ChemIDplus] synonym: "meta-difluorobenzene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1904537 {source="Beilstein"} xref: CAS:372-18-9 {source="ChemIDplus"} xref: CAS:372-18-9 {source="NIST Chemistry WebBook"} xref: Gmelin:200891 {source="Gmelin"} xref: Patent:CN101607874 xref: Patent:CN1634895 xref: Patent:CN1765887 xref: PMID:15535712 {source="Europe PMC"} xref: PMID:22707282 {source="Europe PMC"} xref: Reaxys:1904537 {source="Reaxys"} is_a: CHEBI:38582 ! difluorobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4F2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UEMGWPRHOOEKTA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.09277" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.02811" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1cccc(F)c1" xsd:string [Term] id: CHEBI:38586 name: 1,2,3-benzotriazine namespace: chebi_ontology subset: 3_STAR synonym: "1,2,3-benzotriazine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:606374 {source="Beilstein"} is_a: CHEBI:39097 ! benzotriazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5N3/c1-2-4-7-6(3-1)5-8-10-9-7/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWQPOVKKUWUEKE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.13482" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.04835" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2nnncc2c1" xsd:string [Term] id: CHEBI:38595 name: 3H-pyrazole namespace: chebi_ontology subset: 3_STAR synonym: "3H-Pyrazol" RELATED [ChEBI] synonym: "3H-pyrazole" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506329 {source="Beilstein"} is_a: CHEBI:14973 ! pyrazole relationship: is_tautomer_of CHEBI:17241 ! 1H-pyrazole relationship: is_tautomer_of CHEBI:38599 ! 4H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DEEPVUMBLJVOEL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.07734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=CN=N1" xsd:string [Term] id: CHEBI:38596 name: pyrazolide namespace: chebi_ontology def: "An organic anion with formula C3H3N2 resulting from the removal of a proton from 1H, 3H, or 4H-pyrazole." [] subset: 3_STAR synonym: "pyrazolide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:14973 ! pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.069" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "67.02962" xsd:string [Term] id: CHEBI:38597 name: triazole namespace: chebi_ontology subset: 3_STAR synonym: "triazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35555 ! mancude organic heteromonocyclic parent is_a: CHEBI:35727 ! triazoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.065" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.03270" xsd:string [Term] id: CHEBI:38599 name: 4H-pyrazole namespace: chebi_ontology subset: 3_STAR synonym: "4H-Pyrazol" RELATED [ChEBI] synonym: "4H-pyrazole" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5860011 {source="Beilstein"} xref: Gmelin:2355958 {source="Gmelin"} is_a: CHEBI:14973 ! pyrazole relationship: is_conjugate_acid_of CHEBI:38600 ! 4H-pyrazol-4-ide relationship: is_tautomer_of CHEBI:17241 ! 1H-pyrazole relationship: is_tautomer_of CHEBI:38595 ! 3H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h2-3H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NILYRCYRBPDITI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.07734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.03745" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=NN=C1" xsd:string [Term] id: CHEBI:38600 name: 4H-pyrazol-4-ide namespace: chebi_ontology subset: 3_STAR synonym: "4H-pyrazol-4-ide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5493743 {source="Beilstein"} is_a: CHEBI:38596 ! pyrazolide relationship: is_conjugate_base_of CHEBI:38599 ! 4H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H3N2/c1-2-4-5-3-1/h1-3H/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LBLQPCAYBXWESC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.06940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "67.03017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1[cH-]cnn1" xsd:string [Term] id: CHEBI:38605 name: phenethylamine alkaloid namespace: chebi_ontology subset: 3_STAR synonym: "phenethylamine alkaloids" RELATED [ChEBI] is_a: CHEBI:22315 ! alkaloid [Term] id: CHEBI:38623 name: EC 1.4.3.4 (monoamine oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4)." [] subset: 3_STAR synonym: "adrenalin oxidase inhibitor" RELATED [ChEBI] synonym: "adrenalin oxidase inhibitors" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitor" RELATED [ChEBI] synonym: "adrenaline oxidase inhibitors" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine oxidase (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "amine:oxygen oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 (monoamine oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.4 inhibitors" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitor" RELATED [ChEBI] synonym: "epinephrine oxidase inhibitors" RELATED [ChEBI] synonym: "MAO A inhibitor" RELATED [ChEBI] synonym: "MAO A inhibitors" RELATED [ChEBI] synonym: "MAO B inhibitor" RELATED [ChEBI] synonym: "MAO B inhibitors" RELATED [ChEBI] synonym: "MAO inhibitor" RELATED [ChEBI] synonym: "MAO inhibitors" RELATED [ChEBI] synonym: "MAO-A inhibitor" RELATED [ChEBI] synonym: "MAO-A inhibitors" RELATED [ChEBI] synonym: "MAO-B inhibitor" RELATED [ChEBI] synonym: "MAO-B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase (EC 1.4.3.4) inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase A inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase B inhibitors" RELATED [ChEBI] synonym: "monoamine oxidase inhibitor" RELATED [ChEBI] synonym: "monoamine oxidase inhibitors" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "monoamine:O2 oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "serotonin deaminase inhibitor" RELATED [ChEBI] synonym: "serotonin deaminase inhibitors" RELATED [ChEBI] synonym: "tyraminase inhibitor" RELATED [ChEBI] synonym: "tyraminase inhibitors" RELATED [ChEBI] synonym: "tyramine oxidase inhibitor" RELATED [ChEBI] synonym: "tyramine oxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Monoamine_oxidase_inhibitor is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor [Term] id: CHEBI:38629 name: 2-isopropyl-6-methylpyrimidin-4-ol namespace: chebi_ontology def: "A hydroxypyrimidine that is pyrimidine substituted by an isopropyl group at position 2, a methyl group at position 6 and a hydroxy group at position 4." [] subset: 3_STAR synonym: "6-methyl-2-(1-methylethyl)pyrimidin-4-ol" RELATED [IUPAC] synonym: "6-methyl-2-(propan-2-yl)pyrimidin-4-ol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:742884 {source="Beilstein"} xref: PMID:16436313 {source="Europe PMC"} xref: Reaxys:742884 {source="Reaxys"} is_a: CHEBI:38340 ! hydroxypyrimidine relationship: is_tautomer_of CHEBI:83445 ! 2-isopropyl-6-methyl-4-pyrimidinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJPIUNPJBFBUKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.19376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1nc(C)cc(O)n1" xsd:string [Term] id: CHEBI:38631 name: aminoalkylindole namespace: chebi_ontology alt_id: CHEBI:22503 alt_id: CHEBI:24792 subset: 3_STAR synonym: "aminoalkylindoles" RELATED [ChEBI] is_a: CHEBI:24828 ! indoles [Term] id: CHEBI:38632 name: membrane transport modulator namespace: chebi_ontology def: "Any agent that affects the transport of molecular entities across a biological membrane." [] subset: 3_STAR synonym: "membrane transport modulators" RELATED [ChEBI] is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:38633 name: sodium channel blocker namespace: chebi_ontology def: "An agent that inhibits sodium influx through cell membranes." [] subset: 3_STAR synonym: "Na channel blocker" RELATED [ChEBI] synonym: "sodium channel blockers" RELATED [ChEBI] is_a: CHEBI:39000 ! sodium channel modulator [Term] id: CHEBI:38634 name: voltage-gated sodium channel blocker namespace: chebi_ontology def: "Any sodium channel blocker that interferes with the activity of voltage-gated sodium channels." [] subset: 3_STAR synonym: "Nav channel blocker" RELATED [ChEBI] synonym: "Nav channel blockers" RELATED [ChEBI] synonym: "voltage-dependent sodium channel blockers" RELATED [ChEBI] is_a: CHEBI:38633 ! sodium channel blocker [Term] id: CHEBI:38637 name: tyrosine kinase inhibitor namespace: chebi_ontology def: "Any protein kinase inhibitor that interferes with the action of tyrosine kinase." [] subset: 3_STAR synonym: "protein tyrosine kinase inhibitor" RELATED [ChEBI] synonym: "protein tyrosine kinase inhibitors" RELATED [ChEBI] synonym: "TKI inhibitor" RELATED [ChEBI] synonym: "TKI inhibitors" RELATED [ChEBI] synonym: "tyrosine kinase inhibitors" RELATED [ChEBI] synonym: "tyrphostin" RELATED [ChEBI] synonym: "tyrphostins" RELATED [ChEBI] xref: Wikipedia:Tyrosine-kinase_inhibitor is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:38641 name: trimethylbenzene namespace: chebi_ontology subset: 3_STAR synonym: "methylxylene" RELATED [ChemIDplus] synonym: "trimethyl benzene" RELATED [ChemIDplus] synonym: "trimethylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylbenzenes" RELATED [ChemIDplus] xref: CAS:25551-13-7 {source="ChemIDplus"} is_a: CHEBI:38975 ! methylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.09390" xsd:string [Term] id: CHEBI:38653 name: methylbutyric acid namespace: chebi_ontology def: "A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent." [] subset: 3_STAR synonym: "methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] xref: PMID:13105653 {source="Europe PMC"} is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39417 ! branched-chain saturated fatty acid is_a: CHEBI:62499 ! methyl-branched fatty acid relationship: has_functional_parent CHEBI:30772 ! butyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string [Term] id: CHEBI:38655 name: (S)-2-methylbutyric acid namespace: chebi_ontology def: "The (S)-enantiomer of 2-methylbutanoic acid." [] subset: 3_STAR synonym: "(2S)-2-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-methylbutanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-alpha-methylbutanoic acid" RELATED [ChEBI] xref: Beilstein:1720485 {source="Beilstein"} xref: Beilstein:3648078 {source="Beilstein"} xref: CAS:1730-91-2 {source="NIST Chemistry WebBook"} xref: CAS:1730-91-2 {source="ChemIDplus"} xref: Gmelin:532948 {source="Gmelin"} xref: PMID:2026560 {source="Europe PMC"} is_a: CHEBI:37070 ! 2-methylbutyric acid relationship: is_conjugate_acid_of CHEBI:145932 ! (S)-2-methylbutanoate relationship: is_enantiomer_of CHEBI:45525 ! (R)-2-methylbutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLAMNBDJUVNPJU-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)C(O)=O" xsd:string [Term] id: CHEBI:38656 name: organochlorine pesticide namespace: chebi_ontology def: "Any organochlorine compound that has been used as a pesticide." [] subset: 3_STAR synonym: "Chlororganische Pestizide" RELATED [ChEBI] synonym: "organochloride pesticide" RELATED [ChEBI] synonym: "organochloride pesticides" RELATED [ChEBI] synonym: "organochlorine pesticides" RELATED [ChEBI] synonym: "Organochlorpestizid" RELATED [ChEBI] is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:25944 ! pesticide [Term] id: CHEBI:38657 name: organochlorine acaricide namespace: chebi_ontology def: "Any organochlorine pesticide that has been used as an acaricide." [] subset: 3_STAR synonym: "chlororganische Akarizide" RELATED [ChEBI] synonym: "organochloride acaricide" RELATED [ChEBI] synonym: "organochloride acaricides" RELATED [ChEBI] synonym: "organochlorine acaricides" RELATED [ChEBI] is_a: CHEBI:38656 ! organochlorine pesticide relationship: has_role CHEBI:22153 ! acaricide [Term] id: CHEBI:38658 name: dicrotophos namespace: chebi_ontology subset: 3_STAR synonym: "(1E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate" RELATED [ChemIDplus] synonym: "(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester" RELATED [ChemIDplus] synonym: "3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide" RELATED [ChemIDplus] synonym: "3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide" RELATED [ChemIDplus] synonym: "Bidrin" RELATED [ChemIDplus] synonym: "Dimethyl (E)-2-dimethyl-carbamoyl-1-methylvinyl phosphate" RELATED [ChemIDplus] xref: Beilstein:1880084 {source="Beilstein"} xref: CAS:141-66-2 {source="NIST Chemistry WebBook"} xref: CAS:141-66-2 {source="ChemIDplus"} xref: CAS:141-66-2 {source="KEGG COMPOUND"} xref: KEGG:C18656 xref: PPDB:224 is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25708 ! organophosphate insecticide relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H16NO5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEENJGZXVHKXNB-VOTSOKGWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.19014" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "237.07661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)O\\C(C)=C\\C(=O)N(C)C" xsd:string [Term] id: CHEBI:38661 name: disulfoton namespace: chebi_ontology def: "An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate." [] subset: 3_STAR synonym: "Ethylthiometon" RELATED [KEGG_COMPOUND] synonym: "O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate" RELATED [ChemIDplus] synonym: "O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate" RELATED [ChemIDplus] synonym: "O,O-diethyl S-[2-(ethylsulfanyl)ethyl] dithiophosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester" RELATED [ChemIDplus] synonym: "S-[2-(ethylsulfanyl)ethyl] O,O-dimethyl dithiophosphate" RELATED [IUPAC] xref: Beilstein:1709167 {source="Beilstein"} xref: CAS:298-04-4 {source="ChemIDplus"} xref: CAS:298-04-4 {source="NIST Chemistry WebBook"} xref: CAS:298-04-4 {source="KEGG COMPOUND"} xref: KEGG:C18400 xref: PMID:15294458 {source="Europe PMC"} xref: PMID:22818267 {source="Europe PMC"} xref: PMID:22968680 {source="Europe PMC"} xref: PMID:23303564 {source="Europe PMC"} xref: Reaxys:1709167 {source="Reaxys"} xref: Wikipedia:Disulfoton is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H19O2PS3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DOFZAZXDOSGAJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "274.40702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.02848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)SCCSCC" xsd:string [Term] id: CHEBI:38663 name: ethion namespace: chebi_ontology def: "An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7)." [] subset: 3_STAR synonym: "Bis(S-(diethoxyphosphinothioyl)mercapto)methane" RELATED [ChemIDplus] synonym: "O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)" RELATED [IUPAC] synonym: "O,O,O',O'-tetraethyl S,S'-methanediyl bis(phosphorodithioate)" EXACT IUPAC_NAME [IUPAC] synonym: "O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)" RELATED [ChemIDplus] synonym: "S,S'-Methylene bis(O,O-diethyl phosphorodithioate)" RELATED [ChemIDplus] xref: Beilstein:1804530 {source="Beilstein"} xref: CAS:563-12-2 {source="KEGG COMPOUND"} xref: CAS:563-12-2 {source="ChemIDplus"} xref: CAS:563-12-2 {source="NIST Chemistry WebBook"} xref: KEGG:C18725 xref: PMID:21366965 {source="Europe PMC"} xref: PMID:21560835 {source="Europe PMC"} xref: PMID:23127602 {source="Europe PMC"} xref: PMID:24398360 {source="Europe PMC"} xref: PMID:24401442 {source="Europe PMC"} xref: PPDB:276 xref: Reaxys:1804530 {source="Reaxys"} xref: Wikipedia:Ethion is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H22O4P2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RIZMRRKBZQXFOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "384.48010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.98762" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC" xsd:string [Term] id: CHEBI:38665 name: ethoprophos namespace: chebi_ontology subset: 3_STAR synonym: "Ethoprop" RELATED [ChemIDplus] synonym: "O-ethyl S,S-dipropyl dithiophosphate" RELATED [IUPAC] synonym: "O-ethyl S,S-dipropyl phosphorodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphorodithioic acid, O-ethyl S,S-dipropyl ester" RELATED [ChemIDplus] xref: Beilstein:8139788 {source="Beilstein"} xref: CAS:13194-48-4 {source="NIST Chemistry WebBook"} xref: CAS:13194-48-4 {source="ChemIDplus"} xref: CAS:13194-48-4 {source="KEGG COMPOUND"} xref: KEGG:C18687 xref: LINCS:LSM-2169 xref: PPDB:279 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H19O2PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VJYFKVYYMZPMAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.34102" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.05641" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCSP(=O)(OCC)SCCC" xsd:string [Term] id: CHEBI:38672 name: flavans name: flavans namespace: chebi_ontology def: "Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15OR14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:38677 name: famphur namespace: chebi_ontology subset: 3_STAR synonym: "Famophos" RELATED [KEGG_COMPOUND] synonym: "Famophos" RELATED [NIST_Chemistry_WebBook] synonym: "O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphate" RELATED [IUPAC] synonym: "Phosphorothioic acid, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester" RELATED [ChemIDplus] xref: CAS:52-85-7 {source="KEGG COMPOUND"} xref: CAS:52-85-7 {source="NIST Chemistry WebBook"} xref: CAS:52-85-7 {source="ChemIDplus"} xref: KEGG:C18658 xref: VSDB:1598 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38678 ! 4-hydroxy-N,N-dimethylbenzenesulfonamide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16NO5PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JISACBWYRJHSMG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "325.34354" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.02075" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C" xsd:string [Term] id: CHEBI:38678 name: 4-hydroxy-N,N-dimethylbenzenesulfonamide namespace: chebi_ontology subset: 3_STAR synonym: "4-Dimethylsulfamoylphenol" RELATED [ChemIDplus] synonym: "4-hydroxy-N,N-dimethylbenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "p-(N,N-Dimethylsulfamoyl)phenol" RELATED [ChemIDplus] xref: Beilstein:2103901 {source="Beilstein"} xref: CAS:15020-57-2 {source="ChemIDplus"} is_a: CHEBI:35358 ! sulfonamide relationship: has_functional_parent CHEBI:32354 ! 4-hydroxybenzenesulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-7(10)4-6-8/h3-6,10H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JYBMFOQKJJJCPY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.24388" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.04596" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)S(=O)(=O)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:38680 name: fenamiphos namespace: chebi_ontology subset: 3_STAR synonym: "ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate" RELATED [IUPAC] synonym: "ethyl 3-methyl-4-(methylsulfanyl)phenyl N-(propan-2-yl)phosphoramidate" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate" RELATED [ChemIDplus] synonym: "ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate" RELATED [ChemIDplus] synonym: "fenamiphos" EXACT [UniProt] synonym: "isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate" RELATED [ChemIDplus] synonym: "methaphenamiphos" RELATED [ChemIDplus] synonym: "Nemacur" RELATED [NIST_Chemistry_WebBook] synonym: "phenamiphos" RELATED [ChemIDplus] xref: Beilstein:4752893 {source="Beilstein"} xref: CAS:22224-92-6 {source="NIST Chemistry WebBook"} xref: CAS:22224-92-6 {source="ChemIDplus"} xref: CAS:22224-92-6 {source="KEGG COMPOUND"} xref: KEGG:C18659 xref: PPDB:290 is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:27577 ! phosphoramidate ester is_a: CHEBI:39094 ! organophosphate nematicide relationship: has_functional_parent CHEBI:38681 ! 4-(methylsulfanyl)-m-cresol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H22NO3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCJPOPBZHLUFHF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.35848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.10580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1" xsd:string [Term] id: CHEBI:38681 name: 4-(methylsulfanyl)-m-cresol namespace: chebi_ontology subset: 3_STAR synonym: "3-Methyl-4-(1-methylthio)phenol" RELATED [ChemIDplus] synonym: "3-methyl-4-(methylsulfanyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "3-methyl-4-(methylsulfanyl)phenol" RELATED [UniProt] synonym: "4-(Methylthio)-m-cresol" RELATED [ChemIDplus] synonym: "Methylthiomethylphenol" RELATED [ChemIDplus] xref: Beilstein:1210322 {source="Beilstein"} xref: CAS:3120-74-9 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:35683 ! aryl sulfide relationship: has_functional_parent CHEBI:17231 ! m-cresol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKALYYFVKBXHTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.23040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.04524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1ccc(O)cc1C" xsd:string [Term] id: CHEBI:38682 name: bromoform namespace: chebi_ontology alt_id: CHEBI:29363 alt_id: CHEBI:34592 alt_id: CHEBI:49730 subset: 3_STAR synonym: "Bromoform" EXACT [KEGG_COMPOUND] synonym: "bromoform" EXACT IUPAC_NAME [IUPAC] synonym: "CHBr3" RELATED [IUPAC] synonym: "methyl tribromide" RELATED [ChemIDplus] synonym: "Tribrommethan" RELATED [NIST_Chemistry_WebBook] synonym: "TRIBROMOMETHANE" RELATED [PDBeChem] synonym: "Tribromomethane" RELATED [KEGG_COMPOUND] xref: Beilstein:1731048 {source="ChemIDplus"} xref: CAS:75-25-2 {source="ChemIDplus"} xref: CAS:75-25-2 {source="NIST Chemistry WebBook"} xref: CAS:75-25-2 {source="KEGG COMPOUND"} xref: Drug_Central:405 {source="DrugCentral"} xref: Gmelin:49500 {source="Gmelin"} xref: KEGG:C14707 xref: PDBeChem:MBR is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:39278 ! bromomethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHBr3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHBr3/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIKBFYAXUHHXCS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.73064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.76284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(Br)(Br)Br" xsd:string [Term] id: CHEBI:38685 name: 1,2-epoxypropane namespace: chebi_ontology alt_id: CHEBI:11158 alt_id: CHEBI:23934 def: "An epoxide that is oxirane substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "1,2-epoxypropane" EXACT [UniProt] synonym: "1,2-Propylene oxide" RELATED [KEGG_COMPOUND] synonym: "1,2-propylene oxide" RELATED [NIST_Chemistry_WebBook] synonym: "2,3-epoxypropane" RELATED [ChemIDplus] synonym: "2-methyloxirane" EXACT IUPAC_NAME [IUPAC] synonym: "epoxypropane" RELATED [ChemIDplus] synonym: "methyloxacyclopropane" RELATED [ChemIDplus] synonym: "methyloxirane" RELATED [NIST_Chemistry_WebBook] synonym: "Propylene oxide" RELATED [KEGG_COMPOUND] synonym: "propylene oxide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:79763 {source="Beilstein"} xref: CAS:75-56-9 {source="NIST Chemistry WebBook"} xref: CAS:75-56-9 {source="ChemIDplus"} xref: CAS:75-56-9 {source="KEGG COMPOUND"} xref: Gmelin:81761 {source="Gmelin"} xref: HMDB:HMDB0031558 xref: KEGG:C15508 xref: MetaCyc:12-EPOXYPROPANE xref: PMID:23803541 {source="Europe PMC"} xref: PMID:24699862 {source="Europe PMC"} xref: Reaxys:79763 {source="Reaxys"} xref: Wikipedia:Propylene_oxide is_a: CHEBI:32955 ! epoxide relationship: has_functional_parent CHEBI:27561 ! oxirane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GOOHAUXETOMSMM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.07914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C1(C)CO1" xsd:string [Term] id: CHEBI:38688 name: 4-(methylsulfinyl)phenol namespace: chebi_ontology subset: 3_STAR synonym: "4-(methanesulfinyl)phenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1859795 {source="Beilstein"} xref: CAS:14763-64-5 {source="ChemIDplus"} is_a: CHEBI:22063 ! sulfoxide is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCQSJUGIZGMDDA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.20322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.02450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(=O)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:38689 name: fonofos namespace: chebi_ontology subset: 3_STAR synonym: "(+-)-O-Ethyl S-phenyl ethylphosphonodithioate" RELATED [ChemIDplus] synonym: "Dyphonate" RELATED [KEGG_COMPOUND] synonym: "Dyphonate" RELATED [ChemIDplus] synonym: "Ethylphosphonodithioic acid O-ethyl S-phenyl ester" RELATED [ChemIDplus] synonym: "O-ethyl S-phenyl ethylphosphonodithioate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1958949 {source="Beilstein"} xref: CAS:944-22-9 {source="KEGG COMPOUND"} xref: CAS:944-22-9 {source="NIST Chemistry WebBook"} xref: CAS:944-22-9 {source="ChemIDplus"} xref: KEGG:C18987 xref: PPDB:356 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15OPS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVGLBTYUCJYMND-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "246.33126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.03019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(CC)Sc1ccccc1" xsd:string [Term] id: CHEBI:38691 name: flavan namespace: chebi_ontology alt_id: CHEBI:24039 alt_id: CHEBI:36097 def: "The simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2." [] subset: 3_STAR synonym: "2-phenyl-3,4-dihydro-2H-chromene" EXACT [] synonym: "2-Phenylchroman" RELATED [] synonym: "2-phenylchromane" RELATED [] synonym: "3,4-dihydro-2-phenyl-2H-1-benzopyran" RELATED [] synonym: "flavan" EXACT [] xref: Beilstein:383899 xref: CAS:494-12-2 xref: MetaCyc:CPD-13729 xref: Reaxys:383899 xref: Wikipedia:Flavan is_a: CHEBI:38672 ! flavans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QOLIPNRNLBQTAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.27106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1Cc2ccccc2OC1c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:38699 name: sodium fluoroacetate namespace: chebi_ontology subset: 3_STAR synonym: "fluoroacetic acid sodium salt" RELATED [ChemIDplus] synonym: "Natriumfluoracetat" RELATED [ChemIDplus] synonym: "sodium fluoroacetate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium monofluoroacetate" RELATED [KEGG_COMPOUND] synonym: "sodium monofluoroacetate" RELATED [ChemIDplus] xref: Beilstein:3915223 {source="Beilstein"} xref: CAS:62-74-8 {source="KEGG COMPOUND"} xref: CAS:62-74-8 {source="ChemIDplus"} xref: Gmelin:470376 {source="Gmelin"} xref: KEGG:C18588 is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:18172 ! fluoroacetate relationship: has_role CHEBI:33288 ! rodenticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2FNaO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JGFYQVQAXANWJU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.02425" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.99365" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-]C(=O)CF" xsd:string [Term] id: CHEBI:38700 name: organic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic sodium salt" EXACT [ChEBI] synonym: "organic sodium salts" RELATED [ChEBI] is_a: CDNO:0000020 ! dietary sodium is_a: CHEBI:24868 ! organic salt is_a: CHEBI:26714 ! sodium salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38702 name: inorganic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sodium salts" RELATED [ChEBI] is_a: CDNO:0000020 ! dietary sodium is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:26714 ! sodium salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38706 name: pediculicide namespace: chebi_ontology def: "Substance used to treat lice (genus Pediculus) infestation." [] subset: 3_STAR synonym: "pediculicides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:38716 name: carboxylic acid dianion namespace: chebi_ontology def: "Any dianion containing at least one carboxy group." [] subset: 3_STAR synonym: "carboxylic acid dianion" EXACT [ChEBI] synonym: "carboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:38717 name: carboxylic acid trianion namespace: chebi_ontology def: "A trianion containing at least one carboxy group." [] subset: 3_STAR synonym: "carboxylic acid trianion" EXACT [ChEBI] synonym: "carboxylic acid trianions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:38721 name: methamidophos namespace: chebi_ontology def: "An organic thiophosphate resulting from the N-deacylation of the proinsecticide acephate." [] subset: 3_STAR synonym: "metamidophos" RELATED [ChemIDplus] synonym: "methyl phosphoramidothioate" RELATED [ChemIDplus] synonym: "O,S-dimethyl amidothiophosphate" RELATED [IUPAC] synonym: "O,S-Dimethyl phosphoramidothiolate" RELATED [NIST_Chemistry_WebBook] synonym: "O,S-dimethyl phosphoroamidothioate" EXACT IUPAC_NAME [IUPAC] synonym: "phosphoramidothioic acid, O,S-dimethyl ester" RELATED [ChemIDplus] synonym: "phosphoramidothioic acid, o,s-dimethyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "thiophosphoramidic acid O,S-dimethyl ester" RELATED [ChEBI] xref: Beilstein:1098870 {source="Beilstein"} xref: CAS:10265-92-6 {source="ChemIDplus"} xref: CAS:10265-92-6 {source="NIST Chemistry WebBook"} xref: CAS:10265-92-6 {source="KEGG COMPOUND"} xref: KEGG:C18667 xref: PMID:27990599 {source="Europe PMC"} xref: PMID:28036051 {source="Europe PMC"} xref: PMID:28540662 {source="Europe PMC"} xref: PPDB:453 xref: Reaxys:8137714 {source="Reaxys"} is_a: CHEBI:17102 ! phosphoramide is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8NO2PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNKVPIKMPCQWCG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "141.13022" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.00134" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(N)(=O)SC" xsd:string [Term] id: CHEBI:38725 name: mevinphos namespace: chebi_ontology subset: 3_STAR synonym: "1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate" RELATED [ChemIDplus] synonym: "2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate" RELATED [ChemIDplus] synonym: "Methyl 3-((dimethoxyphosphinyl)oxy)-2-butenoate" RELATED [ChemIDplus] synonym: "methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl 3-hydroxycrotonate dimethyl phosphate ester" RELATED [ChemIDplus] synonym: "O,O-Dimethyl O-(1-methyl-2-carboxyvinyl) phosphate" RELATED [ChemIDplus] synonym: "Phosdrin" RELATED [ChemIDplus] xref: Beilstein:1793349 {source="Beilstein"} xref: CAS:7786-34-7 {source="NIST Chemistry WebBook"} xref: CAS:7786-34-7 {source="ChemIDplus"} xref: CAS:7786-34-7 {source="KEGG COMPOUND"} xref: KEGG:C18688 xref: PPDB:471 is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25708 ! organophosphate insecticide relationship: has_functional_parent CHEBI:38726 ! methyl 3-hydroxybut-2-enoate relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H13O6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GEPDYQSQVLXLEU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "224.14828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "224.04498" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C=C(C)OP(=O)(OC)OC" xsd:string [Term] id: CHEBI:38726 name: methyl 3-hydroxybut-2-enoate namespace: chebi_ontology subset: 3_STAR synonym: "methyl 3-hydroxybut-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1922453 {source="Beilstein"} is_a: CHEBI:4986 ! fatty acid methyl ester relationship: has_functional_parent CHEBI:17217 ! 2-butenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3,6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHVOJYDALVUWPZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.11522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C=C(C)O" xsd:string [Term] id: CHEBI:38728 name: monocrotophos namespace: chebi_ontology def: "An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate." [] subset: 3_STAR synonym: "(E)-monocrotophos" RELATED [HMDB] synonym: "Azodrin" RELATED [ChemIDplus] synonym: "dimethyl (1E)-1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate" RELATED [ChemIDplus] synonym: "Dimethyl (E)-3-hydroxy-N-methylcrotonamide" RELATED [ChemIDplus] synonym: "Phosphoric acid, dimethyl (E)-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester" RELATED [ChemIDplus] xref: Beilstein:2331934 {source="Beilstein"} xref: CAS:6923-22-4 {source="KEGG COMPOUND"} xref: CAS:6923-22-4 {source="NIST Chemistry WebBook"} xref: CAS:6923-22-4 {source="ChemIDplus"} xref: HMDB:HMDB0031805 xref: KEGG:C18663 xref: PMID:23010531 {source="Europe PMC"} xref: PMID:23228476 {source="Europe PMC"} xref: PMID:23948368 {source="Europe PMC"} xref: PMID:24105069 {source="Europe PMC"} xref: PMID:24440807 {source="Europe PMC"} xref: PPDB:1111 xref: Reaxys:8415832 {source="Reaxys"} xref: Wikipedia:Monocrotophos is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:37494 ! alkenyl phosphate relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:33289 ! avicide relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14NO5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRTSDMXIXPKRQR-AATRIKPKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "223.16356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.06096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)\\C=C(/C)OP(=O)(OC)OC" xsd:string [Term] id: CHEBI:38729 name: naled namespace: chebi_ontology def: "An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union." [] subset: 3_STAR synonym: "1,2-dibromo-2,2-dichloroethyl dimethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Bromex" RELATED BRAND_NAME [ChemIDplus] synonym: "Dibrom" RELATED BRAND_NAME [ChemIDplus] synonym: "dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate" RELATED [Patent] synonym: "O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate" RELATED [ChemIDplus] synonym: "O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate" RELATED [NIST_Chemistry_WebBook] synonym: "Ortho-Dibrom" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester" RELATED [ChemIDplus] xref: Beilstein:2049930 {source="Beilstein"} xref: CAS:300-76-5 {source="KEGG COMPOUND"} xref: CAS:300-76-5 {source="NIST Chemistry WebBook"} xref: CAS:300-76-5 {source="ChemIDplus"} xref: KEGG:C18749 xref: Patent:GB855157 xref: Patent:US2971882 xref: Pesticides:naled {source="Alan Wood's Pesticides"} xref: PPDB:480 xref: Wikipedia:Naled is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37141 ! organobromine compound relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7Br2Cl2O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUYMVQAILCEWRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "380.78400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "377.78258" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)OC(Br)C(Cl)(Cl)Br" xsd:string [Term] id: CHEBI:38731 name: N-methyl-2-sulfanylacetamide namespace: chebi_ontology def: "A monocarboxylic acid amide resulting from formal condensation between mercaptoacetic acid and methylamine." [] subset: 3_STAR synonym: "2-mercapto-N-methylacetamide" RELATED [ChEBI] synonym: "N-methyl-2-sulfanylacetamide" EXACT [ChEBI] xref: Beilstein:1740652 {source="Beilstein"} xref: Reaxys:1740652 {source="Reaxys"} is_a: CHEBI:29347 ! monocarboxylic acid amide relationship: has_functional_parent CHEBI:27856 ! acetamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSJNRJYQQPRCLF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.15982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.02484" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)CS" xsd:string [Term] id: CHEBI:38735 name: oxydemeton-methyl namespace: chebi_ontology subset: 3_STAR synonym: "Metasystox-R" RELATED [ChemIDplus] synonym: "Oxydemeton methyl" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester" RELATED [ChemIDplus] synonym: "S-[2-(ethanesulfinyl)ethyl] O,O-dimethyl phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl thiophosphate" RELATED [IUPAC] xref: Beilstein:1711268 {source="Beilstein"} xref: CAS:301-12-2 {source="NIST Chemistry WebBook"} xref: CAS:301-12-2 {source="ChemIDplus"} xref: CAS:301-12-2 {source="KEGG COMPOUND"} xref: KEGG:C18664 xref: PPDB:501 xref: Reaxys:1711268 {source="Reaxys"} xref: Wikipedia:Oxydemeton-methyl is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38736 ! 2-(ethanesulfinyl)ethanol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15O4PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMCVMORKVPSKHZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "246.28500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.01494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCS(=O)CCSP(=O)(OC)OC" xsd:string [Term] id: CHEBI:38736 name: 2-(ethanesulfinyl)ethanol namespace: chebi_ontology subset: 3_STAR synonym: "2-(ethanesulfinyl)ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-(ethylsulfinyl)ethanol" RELATED [ChEBI] synonym: "ethyl 2-hydroxyethyl sulfoxide" RELATED [ChEBI] xref: Beilstein:1743773 {source="Beilstein"} is_a: CHEBI:22063 ! sulfoxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2S/c1-2-7(6)4-3-5/h5H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKPCDGKOQNYNOA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.18700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.04015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCS(=O)CCO" xsd:string [Term] id: CHEBI:38737 name: tribufos namespace: chebi_ontology subset: 3_STAR synonym: "Butifos" RELATED [ChemIDplus] synonym: "butyl phosphorotrithioate" RELATED [NIST_Chemistry_WebBook] synonym: "DEF" RELATED [ChemIDplus] synonym: "DEF defoliant" RELATED [ChemIDplus] synonym: "phosphorotrithioic acid, S,S,S-tributyl ester" RELATED [ChemIDplus] synonym: "S,S,S-tributyl phosphorotrithioate" EXACT IUPAC_NAME [IUPAC] synonym: "S,S,S-tributyl trithiophosphate" RELATED [NIST_Chemistry_WebBook] synonym: "tribufos" EXACT [ChemIDplus] synonym: "tributylphosphorotrithioate" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1910992 {source="ChemIDplus"} xref: CAS:78-48-8 {source="NIST Chemistry WebBook"} xref: CAS:78-48-8 {source="ChemIDplus"} xref: PPDB:656 is_a: CHEBI:37512 ! organic thiophosphate relationship: has_role CHEBI:23582 ! defoliant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H27OPS3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOKXUAHZSKEQSS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "314.51394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "314.09617" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCSP(=O)(SCCCC)SCCCC" xsd:string [Term] id: CHEBI:38746 name: parathion-methyl namespace: chebi_ontology def: "A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4." [] subset: 3_STAR synonym: "Dimethyl p-nitrophenyl thiophosphate" RELATED [ChemIDplus] synonym: "Dimethyl parathion" RELATED [ChemIDplus] synonym: "Methyl parathion" RELATED [ChemIDplus] synonym: "Methyl parathion" RELATED [KEGG_COMPOUND] synonym: "Methylparathion" RELATED [KEGG_COMPOUND] synonym: "O,O-dimethyl O-(4-nitrophenyl) phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-Dimethyl O-(p-nitrophenyl) thionophosphate" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester" RELATED [ChemIDplus] synonym: "Phosphorothioic acid, o,o-dimethyl-o-p-nitrophenyl ester" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1914724 {source="Beilstein"} xref: CAS:298-00-0 {source="KEGG COMPOUND"} xref: CAS:298-00-0 {source="ChemIDplus"} xref: CAS:298-00-0 {source="NIST Chemistry WebBook"} xref: KEGG:C14228 xref: Pesticides:parathion-methyl {source="Alan Wood's Pesticides"} xref: PMID:14188063 {source="Europe PMC"} xref: PMID:17852161 {source="Europe PMC"} xref: PMID:24468856 {source="Europe PMC"} xref: PMID:24470377 {source="Europe PMC"} xref: PMID:24657944 {source="Europe PMC"} xref: PPDB:507 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:16836 ! 4-nitrophenol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10NO5PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLBIQVVOMOPOHC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.20700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.00173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:38751 name: triamine namespace: chebi_ontology def: "Any polyamine that contained three amino groups." [] subset: 3_STAR synonym: "triamines" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:38755 name: hydroxyisoflavone namespace: chebi_ontology def: "Member of the class of isoflavones bearing at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxyisoflavones" RELATED [] is_a: CHEBI:38757 ! isoflavones property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:38757 name: isoflavones namespace: chebi_ontology alt_id: CHEBI:24889 alt_id: CHEBI:24894 def: "Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "an isoflavone" RELATED [] synonym: "isoflavones" EXACT [] xref: MetaCyc:Isoflavones is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15O2R10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(C(=C(C(=C2C(C(=C(O1)*)C=3C(=C(C(=C(C3*)*)*)*)*)=O)*)*)*)*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:38764 name: phorate namespace: chebi_ontology subset: 3_STAR synonym: "O,O-Diethyl S-(ethylthio)methyl phosphorodithioate" RELATED [ChemIDplus] synonym: "O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate" RELATED [IUPAC] synonym: "O,O-diethyl S-[(ethylsulfanyl)methyl] phosphorodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O-Diethyl S-ethylmercaptomethyl dithiophosphate" RELATED [ChemIDplus] synonym: "Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) ester" RELATED [ChemIDplus] synonym: "Thimet" RELATED [ChemIDplus] xref: Beilstein:1708517 {source="Beilstein"} xref: CAS:298-02-2 {source="NIST Chemistry WebBook"} xref: CAS:298-02-2 {source="ChemIDplus"} xref: CAS:298-02-2 {source="KEGG COMPOUND"} xref: KEGG:C18690 xref: PPDB:519 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38829 ! (ethylsulfanyl)methanethiol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H17O2PS3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BULVZWIRKLYCBC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "260.38044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.01283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)SCSCC" xsd:string [Term] id: CHEBI:38771 name: quinoxaline derivative namespace: chebi_ontology def: "Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine)." [] subset: 3_STAR synonym: "quinoxaline derivatives" RELATED [ChEBI] synonym: "quinoxalines" RELATED [ChEBI] is_a: CHEBI:73539 ! naphthyridine derivative relationship: has_parent_hydride CHEBI:36616 ! quinoxaline [Term] id: CHEBI:38773 name: quinolinemonocarboxylate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton" [] subset: 3_STAR synonym: "quinolinemonocarboxylates" RELATED [ChEBI] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:26512 ! quinolinemonocarboxylic acid [Term] id: CHEBI:38777 name: azetidines namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38778 name: triazinanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38779 name: 1,3,5-triazinanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38778 ! triazinanes [Term] id: CHEBI:38780 name: N-nitro compound namespace: chebi_ontology def: "A compound having the nitro group (-NO2) attached to a nitrogen atom." [] subset: 3_STAR synonym: "N-nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35715 ! nitro compound [Term] id: CHEBI:38781 name: thiadiazinane namespace: chebi_ontology subset: 3_STAR synonym: "thiadiazinanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38784 name: oxetanes namespace: chebi_ontology def: "Any oxacycle that is oxetane or its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:38785 name: morpholines namespace: chebi_ontology def: "Any compound containing morpholine as part of its structure." [] subset: 3_STAR is_a: CHEBI:46952 ! oxazinane [Term] id: CHEBI:38786 name: phosmet namespace: chebi_ontology subset: 3_STAR synonym: "Decemthion" RELATED [ChemIDplus] synonym: "Fosmet" RELATED [ChemIDplus] synonym: "O,O-Dimethyl phthalimidomethyl phosphorodithioate" RELATED [ChemIDplus] synonym: "O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate" RELATED [ChemIDplus] synonym: "O,O-Dimethyl S-phthalimidomethyl phosphorodithioate" RELATED [ChemIDplus] synonym: "PMP" RELATED [NIST_Chemistry_WebBook] synonym: "S-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphorodithioic acid O,O-dimethyl ester" RELATED [ChemIDplus] synonym: "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate" RELATED [IUPAC] synonym: "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl phosphorodithioate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:264869 {source="Beilstein"} xref: CAS:732-11-6 {source="NIST Chemistry WebBook"} xref: CAS:732-11-6 {source="ChemIDplus"} xref: CAS:732-11-6 {source="KEGG COMPOUND"} xref: KEGG:C18756 xref: KEGG:D08372 xref: PPDB:521 xref: VSDB:521 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:82851 ! phthalimides relationship: has_functional_parent CHEBI:38816 ! N-(hydroxymethyl)phthalimide relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12NO4PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LMNZTLDVJIUSHT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "317.32100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "316.99454" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O" xsd:string [Term] id: CHEBI:38791 name: azocanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38792 name: azocane namespace: chebi_ontology subset: 3_STAR synonym: "azacyclooctane" RELATED [NIST_Chemistry_WebBook] synonym: "azocane" EXACT IUPAC_NAME [IUPAC] synonym: "heptamethyleneimine" RELATED [ChemIDplus] synonym: "heptamethylenimine" RELATED [NIST_Chemistry_WebBook] synonym: "octahydroazocine" RELATED [NIST_Chemistry_WebBook] synonym: "perhydroazocine" RELATED [ChemIDplus] xref: Beilstein:102615 {source="Beilstein"} xref: CAS:1121-92-2 {source="ChemIDplus"} xref: CAS:1121-92-2 {source="NIST Chemistry WebBook"} xref: Gmelin:130714 {source="Gmelin"} is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37949 ! azacycloalkane is_a: CHEBI:38791 ! azocanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H15N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QXNDZONIWRINJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "113.20074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.12045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCNCCC1" xsd:string [Term] id: CHEBI:38793 name: pteroate namespace: chebi_ontology alt_id: CHEBI:37074 subset: 3_STAR is_a: CHEBI:38796 ! pteroates relationship: is_conjugate_base_of CHEBI:38794 ! pteroic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "311.276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.08926" xsd:string [Term] id: CHEBI:38794 name: pteroic acid namespace: chebi_ontology alt_id: CHEBI:26378 subset: 3_STAR synonym: "Pteroic acid" EXACT [ChemIDplus] synonym: "Pteroinsaeure" RELATED [ChEBI] xref: CAS:119-24-4 {source="ChemIDplus"} xref: DrugBank:DB04196 is_a: CHEBI:38795 ! pteroic acids relationship: is_conjugate_acid_of CHEBI:38793 ! pteroate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12N6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.09709" xsd:string [Term] id: CHEBI:38795 name: pteroic acids namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:26375 ! pterins [Term] id: CHEBI:38796 name: pteroates namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:22494 ! aminobenzoate [Term] id: CHEBI:38800 name: benzenedicarboxamide namespace: chebi_ontology subset: 3_STAR synonym: "benzenedicarboxamide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35779 ! dicarboxylic acid diamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.05858" xsd:string [Term] id: CHEBI:38801 name: isophthalamide namespace: chebi_ontology subset: 3_STAR synonym: "1,3-benzenedicarboxamide" RELATED [ChemIDplus] synonym: "benzene-1,3-dicarboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "isophthalamide" EXACT [NIST_Chemistry_WebBook] synonym: "isophthaldiamide" RELATED [ChemIDplus] synonym: "isophthalic acid diamide" RELATED [ChemIDplus] synonym: "m-carbamoylbenzamide" RELATED [ChemIDplus] synonym: "m-phthalamide" RELATED [ChemIDplus] xref: Beilstein:2045544 {source="ChemIDplus"} xref: CAS:1740-57-4 {source="ChemIDplus"} xref: CAS:1740-57-4 {source="NIST Chemistry WebBook"} is_a: CHEBI:38800 ! benzenedicarboxamide relationship: has_functional_parent CHEBI:30802 ! isophthalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZUPTXGVPYNUIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.16140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.05858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)c1cccc(c1)C(N)=O" xsd:string [Term] id: CHEBI:38804 name: organofluorine insecticide namespace: chebi_ontology subset: 3_STAR synonym: "fluoroorganic insecticide" RELATED [ChEBI] synonym: "fluororganische Insektizide" RELATED [ChEBI] synonym: "organofluorine insecticides" RELATED [ChEBI] is_a: CHEBI:38805 ! organofluorine pesticide [Term] id: CHEBI:38805 name: organofluorine pesticide namespace: chebi_ontology subset: 3_STAR synonym: "fluoroorganic pesticide" RELATED [ChEBI] synonym: "fluororganische Pestizide" RELATED [ChEBI] synonym: "organofluorine pesticides" RELATED [ChEBI] is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:25944 ! pesticide [Term] id: CHEBI:38806 name: organofluorine acaricide namespace: chebi_ontology subset: 3_STAR synonym: "fluoroorganic acaricide" RELATED [ChEBI] synonym: "fluororganische Akarizide" RELATED [ChEBI] synonym: "organofluorine acaricides" RELATED [ChEBI] is_a: CHEBI:38805 ! organofluorine pesticide relationship: has_role CHEBI:22153 ! acaricide [Term] id: CHEBI:38807 name: calcium channel agonist namespace: chebi_ontology def: "Agents that increase calcium influx into calcium channels of excitable tissues." [] subset: 3_STAR synonym: "calcium channel activator" RELATED [ChEBI] synonym: "calcium channel activators" RELATED [ChEBI] synonym: "calcium channel agonists" RELATED [ChEBI] is_a: CHEBI:38808 ! calcium channel modulator [Term] id: CHEBI:38808 name: calcium channel modulator namespace: chebi_ontology def: "A membrane transport modulator that is able to regulate intracellular calcium levels." [] subset: 3_STAR synonym: "calcium channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:38809 name: ryanodine receptor modulator namespace: chebi_ontology subset: 3_STAR synonym: "ryanodine receptor modulators" RELATED [ChEBI] synonym: "ryanodine-sensitive calcium channel modulator" RELATED [ChEBI] synonym: "ryanodine-sensitive calcium-release channel modulator" RELATED [ChEBI] synonym: "RyR modulator" RELATED [ChEBI] is_a: CHEBI:38808 ! calcium channel modulator [Term] id: CHEBI:38816 name: N-(hydroxymethyl)phthalimide namespace: chebi_ontology def: "A primary alcohol comprising phthalimide carrying an N-hydroxymethyl substituent." [] subset: 3_STAR synonym: "2-(hydroxymethyl)isoindole-1,3-dione" EXACT IUPAC_NAME [IUPAC] synonym: "N-Hydroxymethylphthalimide" RELATED [ChemIDplus] synonym: "Phthalimidomethanol" RELATED [NIST_Chemistry_WebBook] synonym: "Phthalimidomethyl alcohol" RELATED [ChemIDplus] synonym: "phthalimidomethyl alcohol" RELATED [ChEBI] xref: Beilstein:140946 {source="Beilstein"} xref: CAS:118-29-6 {source="NIST Chemistry WebBook"} xref: CAS:118-29-6 {source="ChemIDplus"} xref: PMID:11376613 {source="Europe PMC"} xref: PMID:13129307 {source="Europe PMC"} xref: PMID:18272363 {source="Europe PMC"} xref: PMID:19073064 {source="Europe PMC"} xref: PMID:6644601 {source="Europe PMC"} xref: Reaxys:140946 {source="Reaxys"} is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:82851 ! phthalimides relationship: has_functional_parent CHEBI:38817 ! phthalimide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MNSGOOCAMMSKGI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.15682" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCN1C(=O)c2ccccc2C1=O" xsd:string [Term] id: CHEBI:38817 name: phthalimide namespace: chebi_ontology def: "A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Isoindolinedione" RELATED [ChemIDplus] synonym: "1H-Isoindole-1,3(2H)-dione" RELATED [ChemIDplus] synonym: "1H-isoindole-1,3(2H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-Diazoindan-1,3-dione" RELATED [NIST_Chemistry_WebBook] synonym: "o-Phthalic imide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:118522 {source="Beilstein"} xref: CAS:85-41-6 {source="NIST Chemistry WebBook"} xref: CAS:85-41-6 {source="ChemIDplus"} xref: PMID:16610900 {source="Europe PMC"} xref: PMID:24171082 {source="Europe PMC"} xref: Reaxys:118522 {source="Reaxys"} xref: Wikipedia:Phthalimide is_a: CHEBI:82851 ! phthalimides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XKJCHHZQLQNZHY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.13084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1NC(=O)c2ccccc12" xsd:string [Term] id: CHEBI:38819 name: quinoxaline antifungal agent namespace: chebi_ontology def: "A compound that has significant antifungal properties whose structure contains a quinoxaline moiety." [] subset: 3_STAR synonym: "quinoxaline antifungal agents" RELATED [ChEBI] synonym: "quinoxaline fungicide" RELATED [ChEBI] synonym: "quinoxaline fungicides" RELATED [ChEBI] is_a: CHEBI:38821 ! quinoxaline pesticide [Term] id: CHEBI:38820 name: quinoxaline acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38821 ! quinoxaline pesticide is_a: CHEBI:39366 ! organonitrogen acaricide [Term] id: CHEBI:38821 name: quinoxaline pesticide namespace: chebi_ontology def: "A quinoxaline derivative that has pesticidal properties." [] subset: 3_STAR synonym: "quinoxaline pesticides" RELATED [ChEBI] is_a: CHEBI:38771 ! quinoxaline derivative is_a: CHEBI:39365 ! organonitrogen pesticide [Term] id: CHEBI:38824 name: fluorocarbon namespace: chebi_ontology def: "Compounds consisting wholly of fluorine and carbon." [] subset: 3_STAR synonym: "fluorocarbon" EXACT [ChEBI] synonym: "fluorocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "fluorocarbons" RELATED [ChEBI] is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:38825 name: tetrafluoromethane namespace: chebi_ontology subset: 3_STAR synonym: "carbon tetrafluoride" RELATED [ChemIDplus] synonym: "CF4" RELATED [IUPAC] synonym: "Freon 14" RELATED [NIST_Chemistry_WebBook] synonym: "Halon 14" RELATED [NIST_Chemistry_WebBook] synonym: "perfluoromethane" RELATED [NIST_Chemistry_WebBook] synonym: "tetrafluoridocarbon" RELATED [IUPAC] synonym: "Tetrafluorkohlenstoff" RELATED [ChEBI] synonym: "Tetrafluormethan" RELATED [ChEBI] synonym: "tetrafluorocarbon" RELATED [ChemIDplus] synonym: "tetrafluoromethane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1697288 {source="Beilstein"} xref: CAS:75-73-0 {source="NIST Chemistry WebBook"} xref: CAS:75-73-0 {source="ChemIDplus"} xref: Gmelin:2016 {source="Gmelin"} is_a: CHEBI:38824 ! fluorocarbon is_a: CHEBI:39281 ! fluoromethanes relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CF4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CF4/c2-1(3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TXEYQDLBPFQVAA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.00431" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.99361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)F" xsd:string [Term] id: CHEBI:38826 name: perfluorooctane namespace: chebi_ontology subset: 3_STAR synonym: "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane" RELATED [NIST_Chemistry_WebBook] synonym: "n-perfluorooctane" RELATED [NIST_Chemistry_WebBook] synonym: "octadecafluorooctane" EXACT IUPAC_NAME [IUPAC] synonym: "Perfluoroctan" RELATED [ChEBI] synonym: "perfluorooctane" EXACT [ChemIDplus] xref: Beilstein:1717142 {source="ChemIDplus"} xref: CAS:307-34-6 {source="NIST Chemistry WebBook"} xref: CAS:307-34-6 {source="ChemIDplus"} xref: Gmelin:614859 {source="Gmelin"} is_a: CHEBI:24067 ! fluoroalkane is_a: CHEBI:38824 ! fluorocarbon relationship: has_parent_hydride CHEBI:17590 ! octane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8F18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVBBRRALBYAZBM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "438.05690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "437.97126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:38829 name: (ethylsulfanyl)methanethiol namespace: chebi_ontology subset: 3_STAR synonym: "(ethylsulfanyl)methanethiol" EXACT IUPAC_NAME [IUPAC] synonym: "formaldehyde ethyl dithiohemiacetal" RELATED [ChEBI] xref: Beilstein:1731145 {source="Beilstein"} is_a: CHEBI:22327 ! aliphatic sulfide is_a: CHEBI:47908 ! alkanethiol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8S2/c1-2-5-3-4/h4H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VRQFYSHDLYCPRC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.22762" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.00674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCSCS" xsd:string [Term] id: CHEBI:38830 name: 1-benzofurans namespace: chebi_ontology def: "A member of the class of benzofurans consisting of a 1-benzofuran skeleton and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:35259 ! benzofurans [Term] id: CHEBI:38831 name: 2-benzofurans namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:35259 ! benzofurans [Term] id: CHEBI:38843 name: pirimiphos-methyl namespace: chebi_ontology def: "An organic thiophosphate that is O,O-dimethyl O-pyrimidin-4-yl phosphorothioate substituted by a methyl group at position 6 and a diethylamino group at position 2." [] subset: 3_STAR synonym: "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate" RELATED [IUPAC] synonym: "Pirimifosmethyl" RELATED [ChemIDplus] synonym: "Pirimiphos methyl" RELATED [NIST_Chemistry_WebBook] synonym: "Pirimiphosmethyl" RELATED [KEGG_COMPOUND] synonym: "Pyrimiphos methyl" RELATED [ChemIDplus] xref: Beilstein:755726 {source="Beilstein"} xref: CAS:29232-93-7 {source="ChemIDplus"} xref: CAS:29232-93-7 {source="KEGG COMPOUND"} xref: CAS:29232-93-7 {source="NIST Chemistry WebBook"} xref: KEGG:C18403 xref: PMID:23343221 {source="Europe PMC"} xref: PMID:24476070 {source="Europe PMC"} xref: PMID:24685163 {source="Europe PMC"} xref: PMID:24711991 {source="Europe PMC"} xref: PPDB:532 xref: Reaxys:755726 {source="Reaxys"} xref: Wikipedia:Pirimiphos-methyl is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:38338 ! aminopyrimidine relationship: has_functional_parent CHEBI:38844 ! 2-diethylamino-6-methylpyrimidin-4(1H)-one relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H20N3O3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QHOQHJPRIBSPCY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.33400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.09630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1" xsd:string [Term] id: CHEBI:38844 name: 2-diethylamino-6-methylpyrimidin-4(1H)-one namespace: chebi_ontology subset: 3_STAR synonym: "2-(Diethylamino)-6-methyl-1H-pyrimidin-4-one" RELATED [ChemIDplus] synonym: "2-(diethylamino)-6-methylpyrimidin-4(1H)-one" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:642602 {source="Beilstein"} xref: CAS:42487-72-9 {source="ChemIDplus"} is_a: CHEBI:38337 ! pyrimidone is_a: CHEBI:38338 ! aminopyrimidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H15N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H15N3O/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQCPECCCWDWTJJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.12151" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)c1nc(=O)cc(C)[nH]1" xsd:string [Term] id: CHEBI:38845 name: profenofos namespace: chebi_ontology subset: 3_STAR synonym: "Curacron" RELATED [ChemIDplus] synonym: "O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate" EXACT IUPAC_NAME [IUPAC] synonym: "O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate" RELATED [IUPAC] synonym: "Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester" RELATED [ChemIDplus] xref: Beilstein:2150258 {source="Beilstein"} xref: CAS:41198-08-7 {source="KEGG COMPOUND"} xref: CAS:41198-08-7 {source="ChemIDplus"} xref: KEGG:C18404 xref: PPDB:538 is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:38852 ! 4-bromo-2-chlorophenol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H15BrClO3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYMMJNLHFKGANY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "373.63146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "371.93514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl" xsd:string [Term] id: CHEBI:38846 name: phenoxyacetate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid." [] subset: 3_STAR synonym: "phenoxyacetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3905583 {source="Beilstein"} xref: Gmelin:328350 {source="Gmelin"} xref: Reaxys:3905583 {source="Reaxys"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:8075 ! phenoxyacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H7O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCPDWSOZIOUXRV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.13938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.04007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)COc1ccccc1" xsd:string [Term] id: CHEBI:38847 name: perfluoroheptane namespace: chebi_ontology subset: 3_STAR synonym: "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane" RELATED [NIST_Chemistry_WebBook] synonym: "hexadecafluoroheptane" EXACT IUPAC_NAME [IUPAC] synonym: "perfluoro-n-heptane" RELATED [NIST_Chemistry_WebBook] synonym: "perfluoroheptane" EXACT [ChemIDplus] xref: Beilstein:1716335 {source="ChemIDplus"} xref: CAS:335-57-9 {source="NIST Chemistry WebBook"} xref: CAS:335-57-9 {source="ChemIDplus"} xref: Gmelin:275957 {source="Gmelin"} is_a: CHEBI:38824 ! fluorocarbon relationship: has_parent_hydride CHEBI:43098 ! heptane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7F16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGUZHRODIJCVOC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "388.04940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.97445" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:38852 name: 4-bromo-2-chlorophenol namespace: chebi_ontology def: "A halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively." [] subset: 3_STAR synonym: "2-Chloro-4-bromophenol" RELATED [NIST_Chemistry_WebBook] synonym: "4-bromo-2-chlorophenol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2042867 {source="Beilstein"} xref: CAS:3964-56-5 {source="NIST Chemistry WebBook"} xref: CAS:3964-56-5 {source="ChemIDplus"} is_a: CHEBI:37141 ! organobromine compound is_a: CHEBI:38856 ! halophenol is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4BrClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VIBJPUXLAKVICD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "207.45206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "205.91341" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Br)cc1Cl" xsd:string [Term] id: CHEBI:38853 name: decalin namespace: chebi_ontology def: "An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene." [] subset: 3_STAR synonym: "bicyclo[4.4.0]decane" RELATED [NIST_Chemistry_WebBook] synonym: "decahydronaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "Decahydronaphthalin" RELATED [ChEBI] synonym: "decalin" EXACT [ChemIDplus] synonym: "Dekahydronaphthalin" RELATED [ChEBI] synonym: "Dekalin" RELATED [ChemIDplus] synonym: "Naphthan" RELATED [NIST_Chemistry_WebBook] synonym: "naphthane" RELATED [NIST_Chemistry_WebBook] synonym: "perhydronaphthalene" RELATED [ChemIDplus] xref: Beilstein:878165 {source="Beilstein"} xref: CAS:91-17-8 {source="ChemIDplus"} xref: CAS:91-17-8 {source="NIST Chemistry WebBook"} xref: Gmelin:185147 {source="Gmelin"} xref: PMID:23263676 {source="Europe PMC"} xref: PMID:23510204 {source="Europe PMC"} xref: PMID:24689596 {source="Europe PMC"} xref: Reaxys:878165 {source="Reaxys"} xref: Wikipedia:Decalin is_a: CHEBI:35428 ! ortho-fused bicyclic hydrocarbon relationship: has_role CHEBI:46787 ! solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNBZCPXTIHJBJL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.24992" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.14085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCC2CCCCC2C1" xsd:string [Term] id: CHEBI:38856 name: halophenol namespace: chebi_ontology subset: 3_STAR synonym: "halophenol" EXACT [ChEBI] synonym: "halophenols" RELATED [ChEBI] is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:38857 name: monochlorophenol namespace: chebi_ontology subset: 3_STAR synonym: "chlorophenol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:23150 ! chlorophenol is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.00289" xsd:string [Term] id: CHEBI:38862 name: 4-(methylsulfanyl)phenol namespace: chebi_ontology subset: 3_STAR synonym: "4-(methylsulfanyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-(Methylthio)phenol" RELATED [ChemIDplus] synonym: "4-Hydroxyphenyl methyl sulfide" RELATED [NIST_Chemistry_WebBook] synonym: "4-Methylmercaptophenol" RELATED [ChemIDplus] synonym: "p-(Methylthio)phenol" RELATED [ChemIDplus] synonym: "p-Hydroxyphenyl methyl sulfide" RELATED [NIST_Chemistry_WebBook] synonym: "p-Hydroxythioanisole" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2041507 {source="Beilstein"} xref: CAS:1073-72-9 {source="NIST Chemistry WebBook"} xref: CAS:1073-72-9 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:35683 ! aryl sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QASBCTGZKABPKX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.20382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.02959" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1ccc(O)cc1" xsd:string [Term] id: CHEBI:38864 name: propetamphos namespace: chebi_ontology subset: 3_STAR synonym: "(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate" RELATED [ChemIDplus] synonym: "1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate" RELATED [ChemIDplus] synonym: "O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate" RELATED [ChEBI] synonym: "propan-2-yl (2E)-3-{[(ethylamino)(methoxy)phosphorothioyl]oxy}but-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1979853 {source="Beilstein"} xref: CAS:31218-83-4 {source="KEGG COMPOUND"} xref: CAS:31218-83-4 {source="ChemIDplus"} xref: KEGG:C18669 xref: PPDB:549 xref: VSDB:549 is_a: CHEBI:25708 ! organophosphate insecticide is_a: CHEBI:27577 ! phosphoramidate ester is_a: CHEBI:35725 ! isopropyl ester relationship: has_functional_parent CHEBI:38868 ! isopropyl 3-hydroxybut-2-enoate relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H20NO4PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZNDWPRGXNILMS-VQHVLOKHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.30990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.08507" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNP(=S)(OC)O\\C(C)=C\\C(=O)OC(C)C" xsd:string [Term] id: CHEBI:38866 name: tetrafluoroethene namespace: chebi_ontology subset: 3_STAR synonym: "1,1,2,2-tetrafluoroethylene" RELATED [ChemIDplus] synonym: "C2F4" RELATED [IUPAC] synonym: "F2C=CF2" RELATED [IUPAC] synonym: "Perfluoraethylen" RELATED [ChEBI] synonym: "perfluoroethene" RELATED [NIST_Chemistry_WebBook] synonym: "perfluoroethylene" RELATED [ChemIDplus] synonym: "Tetrafluoraethen" RELATED [ChEBI] synonym: "Tetrafluoraethylen" RELATED [ChEBI] synonym: "tetrafluoroethene" EXACT IUPAC_NAME [IUPAC] synonym: "tetrafluoroethylene" RELATED [ChemIDplus] synonym: "TFE" RELATED [ChemIDplus] xref: Beilstein:1098492 {source="Beilstein"} xref: Beilstein:1740275 {source="Beilstein"} xref: CAS:116-14-3 {source="ChemIDplus"} xref: CAS:116-14-3 {source="NIST Chemistry WebBook"} xref: CAS:116-14-3 {source="KEGG COMPOUND"} xref: Gmelin:25997 {source="Gmelin"} xref: KEGG:C19299 is_a: CHEBI:38824 ! fluorocarbon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2F4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2F4/c3-1(4)2(5)6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFKJFAAPBSQJPD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.01501" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.99361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)=C(F)F" xsd:string [Term] id: CHEBI:38867 name: anaesthetic namespace: chebi_ontology def: "Substance which produces loss of feeling or sensation." [] subset: 3_STAR synonym: "anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "anaesthetics" RELATED [ChEBI] synonym: "Anaesthetika" RELATED [ChEBI] synonym: "Anaesthetikum" RELATED [ChEBI] synonym: "anesthetic agent" RELATED [ChEBI] synonym: "anesthetic drug" RELATED [ChEBI] synonym: "anesthetics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:38868 name: isopropyl 3-hydroxybut-2-enoate namespace: chebi_ontology def: "An isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol." [] subset: 3_STAR synonym: "propan-2-yl 3-hydroxybut-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:6122750 {source="Beilstein"} is_a: CHEBI:35725 ! isopropyl ester relationship: has_functional_parent CHEBI:38871 ! 3-hydroxybut-2-enoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNFAKZVVPSSMDA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.16838" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.07864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)C=C(C)O" xsd:string [Term] id: CHEBI:38869 name: general anaesthetic namespace: chebi_ontology def: "Substance that produces loss of consciousness." [] subset: 3_STAR synonym: "Allgemeinanaesthetika" RELATED [ChEBI] synonym: "Allgemeinanaesthetikum" RELATED [ChEBI] synonym: "general anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "general anaesthetics" RELATED [ChEBI] synonym: "general anesthetics" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic [Term] id: CHEBI:38870 name: inhalation anaesthetic namespace: chebi_ontology subset: 3_STAR synonym: "anesthetic gases" RELATED [ChEBI] synonym: "inhalation anesthetics" RELATED [ChEBI] synonym: "Inhalationsanaesthetika" RELATED [ChEBI] synonym: "Inhalationsanaesthetikum" RELATED [ChEBI] synonym: "Inhalationsnarkotika" RELATED [ChEBI] synonym: "Inhalationsnarkotikum" RELATED [ChEBI] is_a: CHEBI:38869 ! general anaesthetic [Term] id: CHEBI:38871 name: 3-hydroxybut-2-enoic acid namespace: chebi_ontology subset: 3_STAR synonym: "3-hydroxybut-2-enoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4653987 {source="Beilstein"} is_a: CHEBI:35969 ! 3-hydroxy monocarboxylic acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NVPCGXUWUBHZBD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.08864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=CC(O)=O" xsd:string [Term] id: CHEBI:38877 name: intravenous anaesthetic namespace: chebi_ontology subset: 3_STAR synonym: "i.v.-Anaesthetika" RELATED [ChEBI] synonym: "i.v.-Anaesthetikum" RELATED [ChEBI] synonym: "intravenous anesthetics" RELATED [ChEBI] is_a: CHEBI:38869 ! general anaesthetic [Term] id: CHEBI:38879 name: 1-phenylpyrazole namespace: chebi_ontology def: "A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1." [] subset: 3_STAR synonym: "1-phenyl-1H-pyrazole" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2594 {source="Beilstein"} xref: CAS:1126-00-7 {source="ChemIDplus"} xref: PMID:22933047 {source="Europe PMC"} xref: PMID:23168081 {source="Europe PMC"} xref: PMID:23595881 {source="Europe PMC"} xref: Reaxys:2594 {source="Reaxys"} is_a: CHEBI:22712 ! benzenes is_a: CHEBI:26410 ! pyrazoles relationship: has_parent_hydride CHEBI:17241 ! 1H-pyrazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WITMXBRCQWOZPX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.17330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc(cc1)-n1cccn1" xsd:string [Term] id: CHEBI:38884 name: diphenylmethane namespace: chebi_ontology def: "A diarylmethane that is methane substituted by two phenyl groups." [] subset: 3_STAR synonym: "(phenylmethyl)benzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-dimethylenebis(benzene)" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-methylenebisbenzene" RELATED [ChemIDplus] synonym: "1,1'-methylenedibenzene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-phenyltoluene" RELATED [NIST_Chemistry_WebBook] synonym: "benzylbenzene" RELATED [ChemIDplus] synonym: "Diphenylmethan" RELATED [ChEBI] synonym: "diphenylmethane" EXACT [NIST_Chemistry_WebBook] synonym: "ditan" RELATED [ChemIDplus] xref: Beilstein:1904982 {source="Beilstein"} xref: CAS:101-81-5 {source="NIST Chemistry WebBook"} xref: CAS:101-81-5 {source="ChemIDplus"} xref: Gmelin:27805 {source="Gmelin"} xref: PMID:23749969 {source="Europe PMC"} xref: Reaxys:1904982 {source="Reaxys"} xref: Wikipedia:Diphenylmethane is_a: CHEBI:51614 ! diarylmethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZZYITDELCSZES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.23438" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:38893 name: 2,3,5-trimethylphenyl methylcarbamate namespace: chebi_ontology def: "A carbamate ester that consists of 2,3,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. One of two constituents of trimethacarb." [] subset: 3_STAR synonym: "2,3,5-Trimethylphenol methylcarbamate" RELATED [ChemIDplus] synonym: "2,3,5-trimethylphenyl methylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,5-Trimethylphenyl N-methylcarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "methylcarbamic acid 2,3,5-trimethylphenyl ester" RELATED [ChEBI] xref: Beilstein:2331082 {source="Beilstein"} xref: CAS:2655-15-4 {source="ChemIDplus"} xref: CAS:2655-15-4 {source="NIST Chemistry WebBook"} xref: CAS:2655-15-4 {source="KEGG COMPOUND"} xref: KEGG:C18957 xref: PPDB:671 xref: Reaxys:2331082 {source="Reaxys"} is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:38570 ! 2,3,5-trimethylphenol relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H15NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NYOKZHDTNBDPOB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "193.24234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.11028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)Oc1cc(C)cc(C)c1C" xsd:string [Term] id: CHEBI:38900 name: boron halide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22916 ! boron molecular entity [Term] id: CHEBI:38901 name: boron fluoride namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38900 ! boron halide [Term] id: CHEBI:38919 name: dithioloquinoxaline namespace: chebi_ontology subset: 3_STAR synonym: "dithioloquinoxalines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:38921 name: pyridoquinoline namespace: chebi_ontology subset: 3_STAR synonym: "pyridoquinolines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:38922 name: dibenzofurans namespace: chebi_ontology def: "Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof." [] subset: 3_STAR is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:38925 name: benzopteridine namespace: chebi_ontology subset: 3_STAR synonym: "benzopteridines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:38929 name: 2-methoxy-1,3,5-triazine namespace: chebi_ontology subset: 3_STAR synonym: "2-methoxy-1,3,5-triazine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:113090 {source="Beilstein"} is_a: CHEBI:38177 ! methoxy-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H5N3O/c1-8-4-6-2-5-3-7-4/h2-3H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCMONXLWVRSCBP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "111.10212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "111.04326" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ncncn1" xsd:string [Term] id: CHEBI:38930 name: 6-methoxy-1,3,5-triazine-2,4-diamine namespace: chebi_ontology subset: 3_STAR synonym: "2,4-diamino-6-methoxy-s-triazine" RELATED [ChemIDplus] synonym: "4,6-diamino-2-methoxy-s-triazine" RELATED [ChemIDplus] synonym: "6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:136629 {source="Beilstein"} xref: CAS:2827-45-4 {source="ChemIDplus"} is_a: CHEBI:38177 ! methoxy-1,3,5-triazine relationship: has_functional_parent CHEBI:38929 ! 2-methoxy-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XVMFICQRQHBOOT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "141.13148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.06506" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1nc(N)nc(N)n1" xsd:string [Term] id: CHEBI:38932 name: pyridopyrimidine namespace: chebi_ontology def: "Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring." [] subset: 3_STAR synonym: "pyridopyrimidine" EXACT [ChEBI] synonym: "pyridopyrimidines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound [Term] id: CHEBI:38934 name: purvalanol namespace: chebi_ontology subset: 3_STAR synonym: "purvalanols" RELATED [ChEBI] is_a: CHEBI:38001 ! 2,6-diaminopurines [Term] id: CHEBI:38941 name: schistosomicide drug namespace: chebi_ontology def: "Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma." [] subset: 3_STAR synonym: "antischistosoma" RELATED [ChEBI] synonym: "antischistosomal drug" RELATED [ChEBI] synonym: "schistosomicide" RELATED [ChEBI] synonym: "schistosomicide drugs" RELATED [ChEBI] synonym: "schistosomicides" RELATED [ChEBI] is_a: CHEBI:35684 ! antiplatyhelmintic drug [Term] id: CHEBI:38945 name: sulfotep namespace: chebi_ontology subset: 3_STAR synonym: "Bis(O,O-diethylphosphorothionic) anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "Dithion" RELATED [ChemIDplus] synonym: "Dithiophos" RELATED [ChemIDplus] synonym: "O,O,O,O-tetraethyl dithiodiphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "O,O,O,O-Tetraethyl dithiopyrophosphate" RELATED [ChemIDplus] synonym: "Sulfotepp" RELATED [ChemIDplus] synonym: "TEDP" RELATED [ChemIDplus] synonym: "TEDTP" RELATED [ChemIDplus] synonym: "Tetraethyl dithiopyrophosphate" RELATED [ChemIDplus] synonym: "Thiodiphosphoric acid, tetraethyl ester" RELATED [ChemIDplus] xref: Beilstein:1714019 {source="Beilstein"} xref: CAS:3689-24-5 {source="ChemIDplus"} xref: CAS:3689-24-5 {source="NIST Chemistry WebBook"} xref: CAS:3689-24-5 {source="KEGG COMPOUND"} xref: KEGG:C18691 xref: PPDB:604 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38947 ! dithiodiphosphoric acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H20O5P2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XIUROWKZWPIAIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "322.32092" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "322.02274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)OP(=S)(OCC)OCC" xsd:string [Term] id: CHEBI:38947 name: dithiodiphosphoric acid namespace: chebi_ontology subset: 3_STAR synonym: "bis(thiopyrophosphoric acid)" RELATED [ChemIDplus] synonym: "dithiodiphosphoric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:36558-41-5 {source="ChemIDplus"} is_a: CHEBI:26079 ! phosphoric acid derivative relationship: has_role CHEBI:22587 ! antiviral agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H4O5P2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O5P2S2/c1-6(2,8)5-7(3,4)9/h(H2,1,2,8)(H2,3,4,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIFZCCWGXMYJEU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.10828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.89754" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=S)OP(O)(O)=S" xsd:string [Term] id: CHEBI:38949 name: sulprofos namespace: chebi_ontology subset: 3_STAR synonym: "Mercaprofos" RELATED [ChemIDplus] synonym: "Mercaprophos" RELATED [ChemIDplus] synonym: "Merpafos" RELATED [ChemIDplus] synonym: "O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester" RELATED [ChemIDplus] synonym: "O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate" RELATED [IUPAC] synonym: "O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl phosphorodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulprophos" RELATED [ChemIDplus] xref: Beilstein:1990231 {source="Beilstein"} xref: CAS:35400-43-2 {source="ChemIDplus"} xref: CAS:35400-43-2 {source="KEGG COMPOUND"} xref: KEGG:C19016 xref: PPDB:607 is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38862 ! 4-(methylsulfanyl)phenol relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H19O2PS3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXHJNEJVUNHLKO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "322.44982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "322.02848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCSP(=S)(OCC)Oc1ccc(SC)cc1" xsd:string [Term] id: CHEBI:38954 name: temephos namespace: chebi_ontology def: "An organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group." [] subset: 3_STAR synonym: "Abate" RELATED [ChemIDplus] synonym: "O,O'-(thiodi-4,1-phenylene) bis(O,O-dimethyl phosphorothioate)" RELATED [Alan_Wood's_Pesticides] synonym: "O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)" RELATED [ChemIDplus] synonym: "O,O,O',O'-tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate)" RELATED [Alan_Wood's_Pesticides] synonym: "O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(phosphorothioate)" EXACT IUPAC_NAME [IUPAC] synonym: "O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)" RELATED [IUPAC] synonym: "O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene bis(phosphorothioate)" RELATED [Alan_Wood's_Pesticides] synonym: "O,O,O',O'-tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate" RELATED [Alan_Wood's_Pesticides] synonym: "Phosphorothioic acid, O,O'-(thiodi-4,1-phenylene) O,O,O',O'-tetramethyl ester" RELATED [ChemIDplus] synonym: "temefos" RELATED [Alan_Wood's_Pesticides] synonym: "temephos" EXACT [ChEBI] xref: Beilstein:1896901 {source="Beilstein"} xref: CAS:3383-96-8 {source="ChemIDplus"} xref: CAS:3383-96-8 {source="NIST Chemistry WebBook"} xref: CAS:3383-96-8 {source="KEGG COMPOUND"} xref: CAS:3383-96-8 {source="Alan Wood's Pesticides"} xref: KEGG:C18809 xref: KEGG:D06062 xref: LINCS:LSM-3148 xref: Pesticides:temephos {source="Alan Wood's Pesticides"} xref: PMID:27180726 {source="Europe PMC"} xref: PMID:27419140 {source="Europe PMC"} xref: PPDB:618 xref: VSDB:618 is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:37512 ! organic thiophosphate relationship: has_functional_parent CHEBI:38957 ! 4,4'-thiodiphenol relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:38956 ! ectoparasiticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H20O6P2S3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WWJZWCUNLNYYAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "466.473" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "465.98973" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC" xsd:string [Term] id: CHEBI:38956 name: ectoparasiticide namespace: chebi_ontology subset: 3_STAR synonym: "ectoparasiticides" RELATED [ChEBI] is_a: CHEBI:35442 ! antiparasitic agent [Term] id: CHEBI:38957 name: 4,4'-thiodiphenol namespace: chebi_ontology subset: 3_STAR synonym: "4,4'-Dihydroxydiphenyl sulfide" RELATED [ChemIDplus] synonym: "4,4'-sulfanediyldiphenol" EXACT IUPAC_NAME [IUPAC] synonym: "Bis(4-oxyphenyl)sulfide" RELATED [ChemIDplus] synonym: "p,p'-Dihydroxydiphenyl sulfide" RELATED [ChemIDplus] xref: Beilstein:2050739 {source="Beilstein"} xref: CAS:2664-63-3 {source="NIST Chemistry WebBook"} xref: CAS:2664-63-3 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols relationship: has_parent_hydride CHEBI:38959 ! diphenyl sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWGKEVWFBOUAND-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.27260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.04015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Sc2ccc(O)cc2)cc1" xsd:string [Term] id: CHEBI:38958 name: indole alkaloid namespace: chebi_ontology alt_id: CHEBI:24795 alt_id: CHEBI:5901 def: "An alkaloid containing an indole skeleton." [] subset: 3_STAR synonym: "Indole alkaloid" EXACT [KEGG_COMPOUND] synonym: "indole alkaloids" RELATED [ChEBI] xref: KEGG:C06073 xref: Wikipedia:Indole_alkaloid is_a: CHEBI:22315 ! alkaloid relationship: has_part CHEBI:73398 ! indole skeleton [Term] id: CHEBI:38959 name: diphenyl sulfide namespace: chebi_ontology def: "An aryl sulfide that consists of two phenyl groups connected by a sulphur atom." [] subset: 3_STAR synonym: "(Phenylsulfanyl)benzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-sulfanediyldibenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1'-Thiobis(benzene)" RELATED [ChemIDplus] synonym: "Diphenyl monosulfide" RELATED [ChemIDplus] synonym: "Diphenyl sulphide" RELATED [ChemIDplus] synonym: "Diphenyl thioether" RELATED [ChemIDplus] synonym: "Diphenylmercaptan" RELATED [ChemIDplus] synonym: "Diphenylthiamethane" RELATED [ChemIDplus] synonym: "Phenyl sulfide" RELATED [ChemIDplus] synonym: "Phenylthiobenzene" RELATED [ChemIDplus] xref: Beilstein:1907932 {source="Beilstein"} xref: CAS:139-66-2 {source="ChemIDplus"} xref: CAS:139-66-2 {source="NIST Chemistry WebBook"} xref: PMID:11408364 {source="Europe PMC"} xref: PMID:19274297 {source="Europe PMC"} xref: Reaxys:1907932 {source="Reaxys"} is_a: CHEBI:35683 ! aryl sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LTYMSROWYAPPGB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.27380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.05032" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:38961 name: 1-phenylethenol namespace: chebi_ontology subset: 3_STAR synonym: "1-phenylethenol" EXACT IUPAC_NAME [IUPAC] xref: CAS:4383-15-7 {source="ChemIDplus"} is_a: CHEBI:33823 ! enol relationship: has_parent_hydride CHEBI:27452 ! styrene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6,9H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEIIEWOTAHXGKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.14852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=C)c1ccccc1" xsd:string [Term] id: CHEBI:38975 name: methylbenzene namespace: chebi_ontology def: "Any alkylbenzene that is benzene substituted with one or more methyl groups." [] subset: 3_STAR synonym: "methylbenzenes" RELATED [ChEBI] is_a: CHEBI:38976 ! alkylbenzene [Term] id: CHEBI:38976 name: alkylbenzene namespace: chebi_ontology def: "A monocyclic arene that is benzene substituted with one or more alkyl groups." [] subset: 3_STAR synonym: "alkylbenzene" EXACT [ChEBI] synonym: "alkylbenzenes" RELATED [ChEBI] synonym: "Alkylbenzol" RELATED [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:33847 ! monocyclic arene relationship: has_parent_hydride CHEBI:16716 ! benzene [Term] id: CHEBI:38999 name: GABA-gated chloride channel antagonist namespace: chebi_ontology subset: 3_STAR synonym: "GABA-gated chloride channel antagonists" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:39000 name: sodium channel modulator namespace: chebi_ontology subset: 3_STAR synonym: "sodium channel modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:39015 name: apolipoprotein namespace: chebi_ontology def: "Protein component on the surface of lipoprotein." [] subset: 3_STAR synonym: "apolipoproteins" RELATED [ChEBI] is_a: CHEBI:13850 ! apoprotein [Term] id: CHEBI:39022 name: inclusion compound namespace: chebi_ontology def: "A complex in which one component (the host) forms a cavity or, in the case of a crystal, a crystal lattice containing spaces in the shape of long tunnels or channels in which molecular entities of a second chemical species (the guest) are located. There is no covalent bonding between guest and host, the attraction being generally due to van der Waals forces." [] subset: 3_STAR synonym: "compose d'inclusion" RELATED [IUPAC] synonym: "compuesto de inclusion" RELATED [IUPAC] synonym: "compuestos de inclusion" RELATED [IUPAC] synonym: "inclusion complex" RELATED [IUPAC] synonym: "inclusion compound" EXACT IUPAC_NAME [IUPAC] synonym: "inclusion compounds" RELATED [ChEBI] is_a: CHEBI:50967 ! non-covalently-bound molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39024 name: clathrate compound namespace: chebi_ontology def: "Inclusion compound in which the guest molecule is in a cage formed by the host molecule or by a lattice of host molecules." [] subset: 3_STAR synonym: "cage compound" RELATED [IUPAC] synonym: "Clathrat" RELATED [ChEBI] synonym: "clathrate" RELATED [IUPAC] synonym: "clathrate compounds" RELATED [ChEBI] synonym: "clathrates" EXACT IUPAC_NAME [IUPAC] synonym: "Clathratverbindung" RELATED [ChEBI] synonym: "clatrato" RELATED [IUPAC] synonym: "clatratos" RELATED [IUPAC] synonym: "compuesto de clatrato" RELATED [ChEBI] synonym: "Klathrat" RELATED [ChEBI] synonym: "Klathratverbindung" RELATED [ChEBI] is_a: CHEBI:39022 ! inclusion compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39025 name: high-density lipoprotein namespace: chebi_ontology def: "A class of lipoproteins of small size (4-13 nm) and dense (greater than 1.063 g/ml) particles. They are synthesized in the liver without a lipid core, accumulate cholesterol esters from peripheral tissues and transport them to the liver for re-utilization or elimination from the body (the reverse cholesterol transport)." [] subset: 3_STAR synonym: "alpha-lipoproteins" RELATED [ChEBI] synonym: "HDL" RELATED [ChEBI] synonym: "high-density lipoproteins" RELATED [ChEBI] is_a: CHEBI:6495 ! lipoprotein relationship: has_part CHEBI:47775 ! high-density lipoprotein cholesterol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39026 name: low-density lipoprotein namespace: chebi_ontology def: "A class of lipoproteins of small size (18-25 nm) and low density (1.019-1.063 g/ml) particles with a core composed mainly of cholesterol esters and smaller amounts of triglycerides. The surface monolayer consists mostly of phospholipids, a single copy of apolipoprotein B-100, and free cholesterol molecules. The main function of LDL is to transport cholesterol and cholesterol esters from the liver. Excessive levels are associated with cardiovascular disease." [] subset: 3_STAR synonym: "beta-lipoproteins" RELATED [ChEBI] synonym: "LDL" RELATED [ChEBI] synonym: "low-density lipoproteins" RELATED [ChEBI] xref: PMID:11082530 {source="Europe PMC"} xref: PMID:15583011 {source="Europe PMC"} xref: PMID:15913955 {source="Europe PMC"} xref: PMID:19349632 {source="Europe PMC"} xref: PMID:28401639 {source="Europe PMC"} xref: PMID:28432662 {source="Europe PMC"} xref: PMID:28792690 {source="Europe PMC"} xref: PMID:28827781 {source="Europe PMC"} xref: PMID:28847800 {source="Europe PMC"} xref: PMID:28859941 {source="Europe PMC"} xref: PMID:28870972 {source="Europe PMC"} xref: Wikipedia:Low-density_lipoprotein is_a: CHEBI:6495 ! lipoprotein relationship: has_part CHEBI:47774 ! low-density lipoprotein cholesterol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39053 name: nitrilotriacetate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "[bis(carboxymethyl)amino]acetate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogen 2,2',2''-nitrilotriacetate" EXACT IUPAC_NAME [IUPAC] synonym: "H2nta(-)" RELATED [IUPAC] xref: Beilstein:6480945 {source="Beilstein"} is_a: CHEBI:36299 ! tricarboxylic acid monoanion is_a: CHEBI:39054 ! NTA relationship: is_conjugate_acid_of CHEBI:39056 ! nitrilotriacetate(2-) relationship: is_conjugate_base_of CHEBI:44557 ! nitrilotriacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGFYIUFZLHCRTH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "190.13086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "190.03571" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CN(CC(O)=O)CC([O-])=O" xsd:string [Term] id: CHEBI:39054 name: NTA namespace: chebi_ontology subset: 3_STAR synonym: "nitrilotriacetate" RELATED [ChEBI] is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:35026 ! triethylamine relationship: has_role CHEBI:38161 ! chelator [Term] id: CHEBI:39056 name: nitrilotriacetate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "Hnta(2-)" RELATED [IUPAC] synonym: "hydrogen 2,2',2''-nitrilotriacetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36300 ! tricarboxylic acid dianion is_a: CHEBI:39054 ! NTA relationship: is_conjugate_acid_of CHEBI:25548 ! nitrilotriacetate(3-) relationship: is_conjugate_base_of CHEBI:39053 ! nitrilotriacetate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "189.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "189.02734" xsd:string [Term] id: CHEBI:39068 name: cis-chlordane namespace: chebi_ontology subset: 3_STAR synonym: "(1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene" RELATED [NIST_Chemistry_WebBook] synonym: "(1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene" RELATED [IUPAC] synonym: "(1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Chlordane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2221008 {source="Beilstein"} xref: CAS:5103-71-9 {source="NIST Chemistry WebBook"} is_a: CHEBI:34623 ! chlordane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6Cl8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BIWJNBZANLAXMG-IDTQJTQFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.77624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.79777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:39069 name: trans-chlordane namespace: chebi_ontology subset: 3_STAR synonym: "(1alpha,2beta,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene" RELATED [NIST_Chemistry_WebBook] synonym: "(1R,2R,3S,4S,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene" RELATED [IUPAC] synonym: "(1S,2S,3aR,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Chlordane" RELATED [NIST_Chemistry_WebBook] synonym: "trans-gamma-Chlordane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2221007 {source="Beilstein"} xref: CAS:5103-74-2 {source="NIST Chemistry WebBook"} is_a: CHEBI:34623 ! chlordane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6Cl8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8+,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BIWJNBZANLAXMG-OESJLNMISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.77624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.79777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl" xsd:string [Term] id: CHEBI:39087 name: sulfurous acid derivative namespace: chebi_ontology def: "Any sulfur oxoacid derivative derived from sulfurous acid." [] subset: 3_STAR synonym: "sulfurous acid derivative" EXACT [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative [Term] id: CHEBI:39088 name: sulfite ester namespace: chebi_ontology subset: 3_STAR synonym: "sulfite ester" EXACT [ChEBI] synonym: "sulfite esters" RELATED [ChEBI] is_a: CHEBI:26823 ! sulfites is_a: CHEBI:35701 ! ester [Term] id: CHEBI:39089 name: cyclic sulfite ester namespace: chebi_ontology subset: 3_STAR synonym: "cyclic sulfite ester" EXACT [ChEBI] synonym: "cyclic sulfite esters" RELATED [ChEBI] is_a: CHEBI:39088 ! sulfite ester [Term] id: CHEBI:39090 name: phenylpyrazole insecticide namespace: chebi_ontology subset: 3_STAR synonym: "phenylpyrazole insecticides" RELATED [ChEBI] is_a: CHEBI:26410 ! pyrazoles relationship: has_functional_parent CHEBI:38879 ! 1-phenylpyrazole relationship: has_role CHEBI:24852 ! insecticide [Term] id: CHEBI:39092 name: organophosphorus nematicide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphorus nematicides" RELATED [ChEBI] is_a: CHEBI:39093 ! organophosphorus pesticide relationship: has_role CHEBI:25491 ! nematicide [Term] id: CHEBI:39093 name: organophosphorus pesticide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphorus pesticides" RELATED [ChEBI] is_a: CHEBI:25710 ! organophosphorus compound relationship: has_role CHEBI:25944 ! pesticide [Term] id: CHEBI:39094 name: organophosphate nematicide namespace: chebi_ontology subset: 3_STAR synonym: "organophosphate nematicides" RELATED [ChEBI] is_a: CHEBI:39092 ! organophosphorus nematicide [Term] id: CHEBI:39096 name: alpha-hexachlorocyclohexane namespace: chebi_ontology subset: 3_STAR synonym: "(1alpha,2alpha,3beta,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [ChEBI] synonym: "(1r,2c,3t,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane" RELATED [IUPAC] synonym: "(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane" RELATED [KEGG_COMPOUND] synonym: "alpha-benzene hexachloride" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-BHC" RELATED [ChemIDplus] synonym: "alpha-HCH" RELATED [KEGG_COMPOUND] synonym: "alpha-HCH" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-hexachlorane" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-hexachlorocyclohexane" EXACT [NIST_Chemistry_WebBook] synonym: "alpha-Lindane" RELATED [KEGG_COMPOUND] synonym: "alpha-lindane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1907336 {source="Beilstein"} xref: CAS:319-84-6 {source="KEGG COMPOUND"} xref: CAS:319-84-6 {source="NIST Chemistry WebBook"} xref: CAS:319-84-6 {source="ChemIDplus"} xref: Gmelin:794031 {source="Gmelin"} xref: KEGG:C15214 is_a: CHEBI:24536 ! hexachlorocyclohexane relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYXXMFPNIAWKQ-SHFUYGGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.82804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.86007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl" xsd:string [Term] id: CHEBI:39097 name: benzotriazine namespace: chebi_ontology subset: 3_STAR synonym: "benzotriazine" EXACT IUPAC_NAME [IUPAC] xref: CAS:86089-80-7 {source="ChemIDplus"} is_a: CHEBI:35570 ! mancude organic heterobicyclic parent is_a: CHEBI:38180 ! polycyclic heteroarene is_a: CHEBI:50893 ! azaarene is_a: CHEBI:51361 ! benzotriazines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.135" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.04835" xsd:string [Term] id: CHEBI:39100 name: (+)-trans-chrysanthemic acid namespace: chebi_ontology def: "A trans-chrysanthemic acid in which both stereocentres have R configuration." [] subset: 3_STAR synonym: "(+)-(1R,3R)-2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "(+)-trans-chrysanthemic acid" EXACT [ChemIDplus] synonym: "(+)-trans-Chrysanthemumsaeure" RELATED [ChEBI] synonym: "(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,3R)-chrysanthemic acid" RELATED [ChEBI] synonym: "(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "(1R-trans)-chrysanthemic acid" RELATED [ChemIDplus] synonym: "(R,R)-chrysanthemic acid" RELATED [ChEBI] synonym: "chrysanthemic acid d-trans-form" RELATED [ChemIDplus] xref: Beilstein:2043419 {source="ChemIDplus"} xref: Beilstein:4904351 {source="Beilstein"} xref: CAS:10453-89-1 {source="KEGG COMPOUND"} xref: CAS:4638-92-0 {source="ChemIDplus"} xref: KEGG:C09842 xref: KNApSAcK:C00003031 xref: LIPID_MAPS_instance:LMPR0102060001 {source="LIPID MAPS"} xref: PMID:16535302 {source="Europe PMC"} xref: PMID:19778353 {source="Europe PMC"} xref: PMID:22025062 {source="Europe PMC"} xref: PMID:7574629 {source="Europe PMC"} is_a: CHEBI:39101 ! trans-chrysanthemic acid relationship: has_functional_parent CHEBI:143899 ! (R,R)-chrysanthemal relationship: is_conjugate_acid_of CHEBI:143900 ! (R,R)-chrysanthemate relationship: is_enantiomer_of CHEBI:39102 ! (-)-trans-chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLOPRKKSAJMMEW-SFYZADRCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.23284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=C[C@@H]1[C@@H](C(O)=O)C1(C)C" xsd:string [Term] id: CHEBI:39101 name: trans-chrysanthemic acid namespace: chebi_ontology subset: 3_STAR synonym: "(1R,3R)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "chrysanthemic acid dl-trans-form" RELATED [ChemIDplus] synonym: "rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "trans-(1)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "trans-Chrysanthemumsaeure" RELATED [ChEBI] xref: Beilstein:3196385 {source="Beilstein"} xref: CAS:705-16-8 {source="ChemIDplus"} is_a: CHEBI:3680 ! chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string [Term] id: CHEBI:39102 name: (-)-trans-chrysanthemic acid namespace: chebi_ontology subset: 3_STAR synonym: "(-)-trans-chrysanthemic acid" EXACT [ChemIDplus] synonym: "(-)-trans-Chrysanthemumsaeure" RELATED [ChEBI] synonym: "(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(1S-trans)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "(1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "l-trans-chrysanthemic acid" RELATED [ChemIDplus] xref: Beilstein:1862973 {source="ChemIDplus"} xref: Beilstein:4904352 {source="Beilstein"} xref: CAS:2259-14-5 {source="ChemIDplus"} is_a: CHEBI:39101 ! trans-chrysanthemic acid relationship: is_enantiomer_of CHEBI:39100 ! (+)-trans-chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLOPRKKSAJMMEW-JGVFFNPUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.23284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=C[C@H]1[C@H](C(O)=O)C1(C)C" xsd:string [Term] id: CHEBI:39103 name: cis-chrysanthemic acid namespace: chebi_ontology subset: 3_STAR synonym: "(1R,3S)-rel-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "chrysanthemic acid dl-cis-form" RELATED [ChemIDplus] synonym: "cis-(1)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid" RELATED [ChemIDplus] synonym: "cis-Chrysanthemumsaeure" RELATED [ChEBI] synonym: "rel-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3196386 {source="Beilstein"} xref: CAS:2935-23-1 {source="ChemIDplus"} is_a: CHEBI:3680 ! chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string [Term] id: CHEBI:39106 name: pyrene namespace: chebi_ontology alt_id: CHEBI:29860 alt_id: CHEBI:34940 def: "An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system." [] subset: 3_STAR synonym: "benzo[def]phenanthrene" RELATED [NIST_Chemistry_WebBook] synonym: "beta-pyrene" RELATED [NIST_Chemistry_WebBook] synonym: "Pyren" RELATED [ChemIDplus] synonym: "Pyrene" EXACT [KEGG_COMPOUND] synonym: "pyrene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1307225 {source="Beilstein"} xref: CAS:129-00-0 {source="NIST Chemistry WebBook"} xref: CAS:129-00-0 {source="ChemIDplus"} xref: CAS:129-00-0 {source="KEGG COMPOUND"} xref: Chemspider:29153 xref: Gmelin:84203 {source="Gmelin"} xref: HMDB:HMDB0042002 xref: KEGG:C14335 xref: PDBeChem:8P0 xref: PMID:12946434 {source="Europe PMC"} xref: PMID:16256641 {source="Europe PMC"} xref: PMID:16349406 {source="Europe PMC"} xref: PMID:17517702 {source="Europe PMC"} xref: PMID:18428918 {source="Europe PMC"} xref: PMID:18709924 {source="Europe PMC"} xref: PMID:20201423 {source="Europe PMC"} xref: PMID:22143550 {source="Europe PMC"} xref: PMID:22423596 {source="Europe PMC"} xref: PMID:24406158 {source="Europe PMC"} xref: PMID:30515937 {source="Europe PMC"} xref: PMID:30705306 {source="Europe PMC"} xref: PMID:31002512 {source="Europe PMC"} xref: PMID:31267635 {source="Europe PMC"} xref: PMID:31365239 {source="Europe PMC"} xref: PMID:31894420 {source="Europe PMC"} xref: PMID:32202393 {source="Europe PMC"} xref: PMID:32361518 {source="Europe PMC"} xref: PMID:33420172 {source="Europe PMC"} xref: PMID:33475661 {source="Europe PMC"} xref: PMID:33555637 {source="Europe PMC"} xref: PMID:33768634 {source="Europe PMC"} xref: PMID:33871775 {source="Europe PMC"} xref: PMID:7251688 {source="Europe PMC"} xref: PMID:7561049 {source="Europe PMC"} xref: Reaxys:1307225 {source="Reaxys"} xref: Wikipedia:Pyrene is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene relationship: has_role CHEBI:39442 ! fluorescent probe relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BBEAQIROQSPTKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "202.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "202.07825" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1" xsd:string [Term] id: CHEBI:39116 name: pyrethroid ester insecticide namespace: chebi_ontology subset: 3_STAR synonym: "pyrethroid ester insecticides" RELATED [ChEBI] is_a: CHEBI:26413 ! pyrethroid insecticide [Term] id: CHEBI:39117 name: trans-allethrin namespace: chebi_ontology subset: 3_STAR synonym: "2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl rel-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" RELATED [IUPAC] is_a: CHEBI:34572 ! allethrin relationship: has_functional_parent CHEBI:39101 ! trans-chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H26O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.409" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.18819" xsd:string [Term] id: CHEBI:39118 name: (+)-trans-allethrin namespace: chebi_ontology subset: 3_STAR synonym: "2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester" RELATED [ChemIDplus] synonym: "2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl trans-(+)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate" RELATED [ChemIDplus] synonym: "2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" RELATED [IUPAC] synonym: "d-trans-allethrin" RELATED [ChemIDplus] xref: Beilstein:2702992 {source="Beilstein"} xref: CAS:28057-48-9 {source="ChemIDplus"} xref: PPDB:80 is_a: CHEBI:39117 ! trans-allethrin relationship: has_functional_parent CHEBI:39100 ! (+)-trans-chrysanthemic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H26O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCVAOQKBXKSDMS-AQYZNVCMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.40794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.18819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=C[C@@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C" xsd:string [Term] id: CHEBI:39123 name: calcium cation namespace: chebi_ontology subset: 3_STAR synonym: "calcium cation" EXACT [ChEBI] synonym: "calcium cations" RELATED [ChEBI] is_a: CHEBI:33513 ! alkaline earth cation is_a: CHEBI:39124 ! calcium ion property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string [Term] id: CHEBI:39124 name: calcium ion namespace: chebi_ontology subset: 3_STAR synonym: "calcium ion" EXACT [ChEBI] synonym: "calcium ions" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:35155 ! elemental calcium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96259" xsd:string [Term] id: CHEBI:39127 name: magnesium cation namespace: chebi_ontology def: "Any magnesium ion that is positively charged." [] subset: 3_STAR synonym: "magnesium cation" EXACT [ChEBI] is_a: CHEBI:33513 ! alkaline earth cation is_a: CHEBI:39128 ! magnesium ion property_value: http://purl.obolibrary.org/obo/chebi/formula "Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "24.305" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "23.98504" xsd:string [Term] id: CHEBI:39128 name: magnesium ion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33973 ! elemental magnesium [Term] id: CHEBI:39141 name: Bronsted acid namespace: chebi_ontology def: "A molecular entity capable of donating a hydron to an acceptor (Bronsted base)." [] subset: 3_STAR synonym: "acide de Bronsted" RELATED [IUPAC] synonym: "Bronsted acid" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Saeure" RELATED [ChEBI] synonym: "donneur d'hydron" RELATED [IUPAC] synonym: "hydron donor" RELATED [IUPAC] is_a: CHEBI:17891 ! donor is_a: CHEBI:37527 ! acid [Term] id: CHEBI:39142 name: Bronsted base namespace: chebi_ontology def: "A molecular entity capable of accepting a hydron from a donor (Bronsted acid)." [] subset: 3_STAR synonym: "accepteur d'hydron" RELATED [IUPAC] synonym: "base de Bronsted" RELATED [IUPAC] synonym: "Bronsted base" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Base" RELATED [ChEBI] synonym: "hydron acceptor" RELATED [IUPAC] is_a: CHEBI:15339 ! acceptor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39143 name: Lewis acid is_a: CHEBI:15339 ! acceptor is_a: CHEBI:37527 ! acid [Term] id: CHEBI:39144 name: Lewis base namespace: chebi_ontology def: "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct." [] subset: 3_STAR synonym: "base de Lewis" RELATED [IUPAC] synonym: "donneur d'une paire d'electrons" RELATED [ChEBI] synonym: "electron donor" RELATED [ChEBI] synonym: "Lewis base" EXACT IUPAC_NAME [IUPAC] synonym: "Lewis-Base" RELATED [ChEBI] is_a: CHEBI:17891 ! donor is_a: CHEBI:22695 ! base [Term] id: CHEBI:39146 name: trichostatin namespace: chebi_ontology subset: 3_STAR synonym: "trichostatin" EXACT [ChEBI] synonym: "trichostatins" RELATED [ChEBI] is_a: CHEBI:49319 ! carbocyclic antibiotic [Term] id: CHEBI:39154 name: chlorocyclohexane namespace: chebi_ontology def: "Any chlorocycloalkane that is cyclohexane substituted by at least one chlorine group." [] subset: 3_STAR is_a: CHEBI:39155 ! chlorocycloalkane relationship: has_parent_hydride CHEBI:29005 ! cyclohexane [Term] id: CHEBI:39155 name: chlorocycloalkane namespace: chebi_ontology def: "A chlorohydrocarbon that is any cycloalkane substituted by at least one chloro group." [] subset: 3_STAR synonym: "chlorocycloalkanes" RELATED [ChEBI] is_a: CHEBI:23115 ! chlorohydrocarbon [Term] id: CHEBI:39157 name: trichostatic acid namespace: chebi_ontology subset: 3_STAR synonym: "(+-)-7-(4-(dimethylamino)phenyl)-4,6-dimethyl-7-oxo-2,4-heptadienoic acid" RELATED [ChemIDplus] synonym: "(2E,4E)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "trichostatic acid" EXACT [ChemIDplus] xref: Beilstein:2386556 {source="Beilstein"} xref: CAS:114127-17-2 {source="ChemIDplus"} is_a: CHEBI:35983 ! 7-oxo monocarboxylic acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKEITMNFEJHFCX-WKWSCTOISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "287.35358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C(=O)c1ccc(cc1)N(C)C)\\C=C(C)\\C=C\\C(O)=O" xsd:string [Term] id: CHEBI:39158 name: (R)-trichostatic acid namespace: chebi_ontology subset: 3_STAR synonym: "(+)-trichostatic acid" RELATED [ChEBI] synonym: "(+)-Trichostatsaeure" RELATED [ChEBI] synonym: "(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5284073 {source="Beilstein"} xref: Beilstein:6893749 {source="Beilstein"} is_a: CHEBI:39157 ! trichostatic acid relationship: is_enantiomer_of CHEBI:39159 ! (S)-trichostatic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKEITMNFEJHFCX-QEQCGCAPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "287.35358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](C(=O)c1ccc(cc1)N(C)C)\\C=C(C)\\C=C\\C(O)=O" xsd:string [Term] id: CHEBI:39159 name: (S)-trichostatic acid namespace: chebi_ontology subset: 3_STAR synonym: "(-)-trichostatic acid" RELATED [ChEBI] synonym: "(-)-Trichostatsaeure" RELATED [ChEBI] synonym: "(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5284074 {source="Beilstein"} is_a: CHEBI:39157 ! trichostatic acid relationship: is_enantiomer_of CHEBI:39158 ! (R)-trichostatic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKEITMNFEJHFCX-LEJRBOCMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "287.35358" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](C(=O)c1ccc(cc1)N(C)C)\\C=C(C)\\C=C\\C(O)=O" xsd:string [Term] id: CHEBI:39161 name: 1,1,1-trichloro-2,2-diphenylethane namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-(2,2,2-trichloroethane-1,1-diyl)dibenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1'-(2,2,2-trichloroethylidene)bisbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-(2,2,2-trichloroethylidene)dibenzene" RELATED [ChemIDplus] synonym: "1,1,1-trichloro-2,2-diphenylethane" EXACT [ChemIDplus] synonym: "1,1-diphenyl-2,2,2-trichloroethane" RELATED [ChemIDplus] synonym: "2,2-diphenyl-1,1,1-trichloroethane" RELATED [ChemIDplus] synonym: "DPE" RELATED [ChemIDplus] synonym: "DPT" RELATED [ChemIDplus] xref: Beilstein:1963701 {source="ChemIDplus"} xref: CAS:2971-22-4 {source="ChemIDplus"} xref: CAS:2971-22-4 {source="NIST Chemistry WebBook"} is_a: CHEBI:36683 ! organochlorine compound relationship: has_parent_hydride CHEBI:38884 ! diphenylmethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZADGQTHIZZOKGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "285.59524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.99263" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:39162 name: (R)-nicotine namespace: chebi_ontology def: "A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration." [] subset: 3_STAR synonym: "(+)-nicotine" RELATED [ChemIDplus] synonym: "(R)-3-(1-methyl-2-pyrrolidinyl)pyridine" RELATED [ChemIDplus] synonym: "3-[(2R)-1-methylpyrrolidin-2-yl]pyridine" EXACT IUPAC_NAME [IUPAC] synonym: "d-nicotine" RELATED [ChemIDplus] synonym: "pseudonicotine" RELATED [ChemIDplus] xref: Beilstein:4666243 "ChemIDplus" xref: Beilstein:4666243 {source="ChemIDplus"} xref: Beilstein:82110 "Beilstein" xref: Beilstein:82110 {source="Beilstein"} xref: CAS:25162-00-9 "ChemIDplus" xref: CAS:25162-00-9 {source="ChemIDplus"} xref: KEGG:C16386 is_a: CHEBI:138000 ! 3-(1-methylpyrrolidin-2-yl)pyridine relationship: is_conjugate_base_of CHEBI:79008 ! (R)-nicotinium(1+) relationship: is_enantiomer_of CHEBI:17688 ! (S)-nicotine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNICXCGAKADSCV-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.23160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.11570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1CCC[C@@H]1c1cccnc1" xsd:string [Term] id: CHEBI:39163 name: acetamiprid namespace: chebi_ontology def: "A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group." [] subset: 3_STAR synonym: "N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide" RELATED [ChemIDplus] synonym: "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8546705 {source="Beilstein"} xref: CAS:160430-64-8 {source="ChemIDplus"} xref: PMID:24620941 {source="Europe PMC"} xref: PMID:24840877 {source="Europe PMC"} xref: PMID:25373182 {source="Europe PMC"} xref: Reaxys:8546705 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35359 ! carboxamidine is_a: CHEBI:39172 ! monochloropyridine relationship: has_functional_parent CHEBI:39174 ! 2-chloropyridine relationship: has_role CHEBI:25540 ! neonicotinoid insectide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCXDHFDTOYPNIE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.67400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1ccc(Cl)nc1)C(C)=NC#N" xsd:string [Term] id: CHEBI:39164 name: (E)-acetamiprid namespace: chebi_ontology def: "The (E)-stereoisomer of acetamiprid." [] subset: 3_STAR synonym: "(1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide" RELATED [ChemIDplus] synonym: "(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine" RELATED [ChemIDplus] synonym: "Acetamiprid" RELATED [ChemIDplus] xref: Beilstein:8315700 {source="Beilstein"} xref: CAS:135410-20-7 {source="KEGG COMPOUND"} xref: CAS:135410-20-7 {source="ChemIDplus"} xref: KEGG:C18507 xref: Pesticides:acetamiprid {source="Alan Wood's Pesticides"} xref: PPDB:11 xref: Reaxys:8315700 {source="Reaxys"} xref: Wikipedia:Acetamiprid is_a: CHEBI:39163 ! acetamiprid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCXDHFDTOYPNIE-RIYZIHGNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.67400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1ccc(Cl)nc1)C(\\C)=N\\C#N" xsd:string [Term] id: CHEBI:39165 name: (Z)-acetamiprid namespace: chebi_ontology subset: 3_STAR synonym: "(1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8409860 {source="Beilstein"} is_a: CHEBI:39163 ! acetamiprid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCXDHFDTOYPNIE-ZSOIEALJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.67400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1ccc(Cl)nc1)C(\\C)=N/C#N" xsd:string [Term] id: CHEBI:39166 name: tetramine namespace: chebi_ontology def: "Any polyamine that contains four amino groups." [] subset: 3_STAR synonym: "tetra-amine" RELATED [ChEBI] synonym: "tetra-amines" RELATED [ChEBI] synonym: "tetraamine" RELATED [ChEBI] synonym: "tetraamines" RELATED [ChEBI] synonym: "tetramines" RELATED [ChEBI] is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:39168 name: (E)-imidacloprid namespace: chebi_ontology def: "The E-isomer of imidacloprid." [] subset: 3_STAR synonym: "(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8069674 {source="Beilstein"} xref: CAS:138261-41-3 {source="ChemIDplus"} xref: CAS:138261-41-3 {source="NIST Chemistry WebBook"} xref: KEGG:C11110 xref: PDBeChem:IM4 xref: Pesticides:imidacloprid {source="Alan Wood's Pesticides"} xref: PMID:18338186 {source="Europe PMC"} xref: PMID:18477694 {source="Europe PMC"} xref: PMID:25267717 {source="Europe PMC"} xref: PPDB:397 xref: VSDB:397 is_a: CHEBI:5870 ! imidacloprid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10ClN5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YWTYJOPNNQFBPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.05230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)\\N=C1/NCCN1CC1=CC=C(Cl)N=C1" xsd:string [Term] id: CHEBI:39169 name: (Z)-imidacloprid namespace: chebi_ontology def: "The Z-isomer of imidacloprid." [] subset: 3_STAR synonym: "(2Z)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8323128 {source="Beilstein"} is_a: CHEBI:5870 ! imidacloprid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10ClN5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YWTYJOPNNQFBPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.66100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.05230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)\\N=C1\\NCCN1Cc1ccc(Cl)nc1" xsd:string [Term] id: CHEBI:39172 name: monochloropyridine namespace: chebi_ontology def: "A chloropyridine in which only one chlorine is attached to the pyridine ring." [] subset: 3_STAR synonym: "chloropyridine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39173 ! chloropyridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4ClN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "113.545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.00323" xsd:string [Term] id: CHEBI:39173 name: chloropyridine namespace: chebi_ontology def: "Compounds containing a pyridine nucleus substituted with one or more chlorine atoms." [] subset: 3_STAR synonym: "chloropyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:39174 name: 2-chloropyridine namespace: chebi_ontology subset: 3_STAR synonym: "2-chloropyridine" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-chloropyridine" RELATED [NIST_Chemistry_WebBook] synonym: "o-chloropyridine" RELATED [ChemIDplus] xref: Beilstein:105788 {source="Beilstein"} xref: CAS:109-09-1 {source="NIST Chemistry WebBook"} xref: CAS:109-09-1 {source="ChemIDplus"} xref: Gmelin:130818 {source="Gmelin"} is_a: CHEBI:39172 ! monochloropyridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4ClN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKDGRDCXVWSXDC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "113.54470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.00323" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccn1" xsd:string [Term] id: CHEBI:39175 name: thiacloprid namespace: chebi_ontology alt_id: CHEBI:90201 def: "A nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen." [] subset: 3_STAR synonym: "(3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide" RELATED [ChemIDplus] synonym: "Calypso" RELATED [ChemIDplus] synonym: "Thiacloprid" EXACT [ChemIDplus] synonym: "{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8553379 {source="Beilstein"} xref: CAS:111988-49-9 {source="ChemIDplus"} xref: KEGG:C18512 xref: Patent:CN103404532 xref: Patent:PT1715743 xref: PDBeChem:TH4 xref: PMID:19937322 {source="Europe PMC"} xref: PMID:22677783 {source="Europe PMC"} xref: Reaxys:8553379 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35622 ! thiazolidines is_a: CHEBI:39172 ! monochloropyridine relationship: has_functional_parent CHEBI:16698 ! cyanamide relationship: has_functional_parent CHEBI:39174 ! 2-chloropyridine relationship: has_role CHEBI:25540 ! neonicotinoid insectide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9ClN4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HOKKPVIRMVDYPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.72412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.02365" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(CN2CCSC2=NC#N)cn1" xsd:string [Term] id: CHEBI:39176 name: (Z)-thiacloprid namespace: chebi_ontology def: "The (Z)-stereoisomer of thiacloprid." [] subset: 3_STAR synonym: "{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8983861 {source="Beilstein"} xref: CAS:111988-49-9 {source="KEGG COMPOUND"} xref: KEGG:C18512 xref: PDBeChem:TH4 xref: Pesticides:thiacloprid {source="Alan Wood's Pesticides"} xref: PPDB:630 xref: Wikipedia:Thiacloprid is_a: CHEBI:39175 ! thiacloprid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9ClN4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HOKKPVIRMVDYPB-UVTDQMKNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.72412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.02365" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(CN2CCS\\C2=N/C#N)cn1" xsd:string [Term] id: CHEBI:39177 name: (E)-clothianidin namespace: chebi_ontology def: "A clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety." [] subset: 3_STAR synonym: "(E)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitroguanidine" RELATED [ChemIDplus] synonym: "Clothianidin" RELATED [ChemIDplus] xref: Beilstein:8620724 {source="Beilstein"} xref: CAS:205510-53-8 {source="ChemIDplus"} xref: CAS:210880-92-5 {source="ChemIDplus"} xref: CAS:210880-92-5 {source="KEGG COMPOUND"} xref: KEGG:C18508 xref: PDBeChem:CT4 xref: PPDB:171 is_a: CHEBI:39178 ! clothianidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8ClN5O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGOOBECODWQEAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.67800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.00872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN\\C(NCc1cnc(Cl)s1)=N/[N+]([O-])=O" xsd:string [Term] id: CHEBI:39178 name: clothianidin namespace: chebi_ontology def: "An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3." [] subset: 3_STAR synonym: "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "CLO" RELATED [ChEBI] xref: Beilstein:9196326 {source="Beilstein"} xref: KEGG:C18508 xref: PDBeChem:CT4 xref: Pesticides:clothianidin {source="Alan Wood's Pesticides"} xref: PMID:19583978 {source="Europe PMC"} xref: PMID:20824681 {source="Europe PMC"} xref: PMID:20873771 {source="Europe PMC"} xref: PMID:21404859 {source="Europe PMC"} xref: PMID:21510196 {source="Europe PMC"} xref: PMID:21538459 {source="Europe PMC"} xref: PMID:22025502 {source="Europe PMC"} xref: PMID:22076810 {source="Europe PMC"} xref: PMID:22083888 {source="Europe PMC"} xref: PMID:22235278 {source="Europe PMC"} xref: PMID:22253863 {source="Europe PMC"} xref: PMID:22286500 {source="Europe PMC"} xref: PMID:22290809 {source="Europe PMC"} xref: PMID:22311678 {source="Europe PMC"} xref: PMID:22431174 {source="Europe PMC"} xref: PMID:22459421 {source="Europe PMC"} xref: PMID:25828917 {source="Europe PMC"} xref: PMID:25835428 {source="Europe PMC"} xref: PMID:25839080 {source="Europe PMC"} xref: Reaxys:9196326 {source="Reaxys"} xref: Wikipedia:Clothianidin is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:84773 ! 2-nitroguanidine derivative relationship: has_functional_parent CHEBI:39187 ! 2-chlorothiazole relationship: has_role CHEBI:25540 ! neonicotinoid insectide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8ClN5O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGOOBECODWQEAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.67800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "249.00872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(NCc1cnc(Cl)s1)=N[N+]([O-])=O" xsd:string [Term] id: CHEBI:39179 name: nitroguanidine namespace: chebi_ontology def: "An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates." [] subset: 3_STAR synonym: "nitroguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "picrite" RELATED [NIST_Chemistry_WebBook] xref: CAS:556-88-7 {source="ChemIDplus"} xref: CAS:556-88-7 {source="NIST Chemistry WebBook"} xref: Wikipedia:Nitroguanidine is_a: CHEBI:38780 ! N-nitro compound relationship: has_functional_parent CHEBI:42820 ! guanidine relationship: has_functional_parent CHEBI:616459 ! carbamimidoylazanium relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03343" xsd:string [Term] id: CHEBI:39180 name: 1-nitroguanidine namespace: chebi_ontology subset: 3_STAR synonym: "1-nitroguanidine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1756640 {source="Beilstein"} xref: Gmelin:164455 {source="Gmelin"} is_a: CHEBI:39179 ! nitroguanidine is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:39181 ! 2-nitroguanidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IDCPFAYURAQKDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03343" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)N[N+]([O-])=O" xsd:string [Term] id: CHEBI:39181 name: 2-nitroguanidine namespace: chebi_ontology subset: 3_STAR synonym: "2-nitroguanidine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1853934 {source="Beilstein"} is_a: CHEBI:39179 ! nitroguanidine is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:39180 ! 1-nitroguanidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IDCPFAYURAQKDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03343" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=N[N+]([O-])=O" xsd:string [Term] id: CHEBI:39185 name: thiamethoxam namespace: chebi_ontology def: "An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively." [] subset: 3_STAR synonym: "3-((2-chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine" RELATED [ChemIDplus] synonym: "3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine" EXACT IUPAC_NAME [IUPAC] synonym: "Thiamethoxam" EXACT [ChemIDplus] synonym: "TMX" RELATED [ChEBI] xref: Beilstein:8555232 {source="Beilstein"} xref: CAS:153719-23-4 {source="ChemIDplus"} xref: KEGG:C18513 xref: Pesticides:thiamethoxam {source="Alan Wood's Pesticides"} xref: PMID:11695183 {source="Europe PMC"} xref: PMID:12075996 {source="Europe PMC"} xref: PMID:15716476 {source="Europe PMC"} xref: PMID:15716477 {source="Europe PMC"} xref: PMID:16652252 {source="Europe PMC"} xref: PMID:19459179 {source="Europe PMC"} xref: PMID:19481804 {source="Europe PMC"} xref: PMID:21681919 {source="Europe PMC"} xref: PMID:21713483 {source="Europe PMC"} xref: PMID:21870159 {source="Europe PMC"} xref: PMID:22065124 {source="Europe PMC"} xref: PMID:22404231 {source="Europe PMC"} xref: PMID:22461498 {source="Europe PMC"} xref: PMID:22489844 {source="Europe PMC"} xref: PMID:24700817 {source="Europe PMC"} xref: PMID:25132224 {source="Europe PMC"} xref: PMID:25348589 {source="Europe PMC"} xref: PMID:25528611 {source="Europe PMC"} xref: PMID:25529677 {source="Europe PMC"} xref: PMID:25626153 {source="Europe PMC"} xref: PMID:25655818 {source="Europe PMC"} xref: PMID:25710849 {source="Europe PMC"} xref: PMID:25825679 {source="Europe PMC"} xref: PMID:25884469 {source="Europe PMC"} xref: PPDB:631 xref: Reaxys:8555232 {source="Reaxys"} xref: Wikipedia:Thiamethoxam is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:48898 ! oxadiazane is_a: CHEBI:84773 ! 2-nitroguanidine derivative relationship: has_functional_parent CHEBI:39187 ! 2-chlorothiazole relationship: has_role CHEBI:22583 ! antifeedant relationship: has_role CHEBI:25540 ! neonicotinoid insectide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10ClN5O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWWZPOKUUAIXIW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.71500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.01929" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1COCN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O" xsd:string [Term] id: CHEBI:39186 name: (E)-thiamethoxam namespace: chebi_ontology subset: 3_STAR synonym: "(4E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8491021 {source="Beilstein"} xref: CAS:153719-23-4 {source="KEGG COMPOUND"} xref: KEGG:C18513 is_a: CHEBI:39185 ! thiamethoxam property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10ClN5O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWWZPOKUUAIXIW-DHZHZOJOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.71500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.01929" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1COCN(Cc2cnc(Cl)s2)\\C1=N\\[N+]([O-])=O" xsd:string [Term] id: CHEBI:39187 name: 2-chlorothiazole namespace: chebi_ontology subset: 3_STAR synonym: "2-chloro-1,3-thiazole" EXACT IUPAC_NAME [IUPAC] synonym: "2-chlorothiazole" EXACT [ChemIDplus] xref: Beilstein:105723 {source="Beilstein"} xref: CAS:3034-52-4 {source="ChemIDplus"} is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38418 ! 1,3-thiazoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2ClNS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLEYVGWAORGTIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.57342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.95965" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1nccs1" xsd:string [Term] id: CHEBI:39189 name: organosulfur pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33261 ! organosulfur compound relationship: has_role CHEBI:25944 ! pesticide [Term] id: CHEBI:39192 name: dithiolanes namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:39208 name: antibiotic insecticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24852 ! insecticide is_a: CHEBI:39215 ! antibiotic pesticide [Term] id: CHEBI:39209 name: macrolide insecticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39221 ! macrolide pesticide relationship: has_role CHEBI:39208 ! antibiotic insecticide [Term] id: CHEBI:39213 name: avermectin insecticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39209 ! macrolide insecticide is_a: CHEBI:39220 ! avermectin pesticide [Term] id: CHEBI:39214 name: abamectin namespace: chebi_ontology def: "Mixture of 80% avermectin B1a and 20% avermectin B1b." [] subset: 3_STAR synonym: "Abamectin" EXACT [ChemIDplus] synonym: "Agri-Mek" RELATED [ChemIDplus] synonym: "avermectin B1" RELATED [ChemIDplus] synonym: "Avid" RELATED [ChemIDplus] synonym: "MK 936" RELATED [ChemIDplus] synonym: "Zephyr" RELATED [ChemIDplus] xref: CAS:71751-41-2 {source="ChemIDplus"} is_a: CHEBI:39213 ! avermectin insecticide is_a: CHEBI:39219 ! avermectin acaricide is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:29534 ! avermectin B1a relationship: has_part CHEBI:29537 ! avermectin B1b relationship: has_role CHEBI:39217 ! antibiotic nematicide [Term] id: CHEBI:39215 name: antibiotic pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25944 ! pesticide is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:39216 name: antibiotic acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22153 ! acaricide is_a: CHEBI:39215 ! antibiotic pesticide [Term] id: CHEBI:39217 name: antibiotic nematicide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25491 ! nematicide is_a: CHEBI:39215 ! antibiotic pesticide [Term] id: CHEBI:39218 name: macrolide acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39221 ! macrolide pesticide relationship: has_role CHEBI:39216 ! antibiotic acaricide [Term] id: CHEBI:39219 name: avermectin acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39218 ! macrolide acaricide is_a: CHEBI:39220 ! avermectin pesticide [Term] id: CHEBI:39220 name: avermectin pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39221 ! macrolide pesticide [Term] id: CHEBI:39221 name: macrolide pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25105 ! macrolide antibiotic [Term] id: CHEBI:39226 name: chlorocarbon namespace: chebi_ontology def: "Compounds consisting wholly of chlorine and carbon." [] subset: 3_STAR synonym: "chlorocarbon" EXACT [ChEBI] synonym: "chlorocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "chlorocarbons" RELATED [ChEBI] is_a: CHEBI:36683 ! organochlorine compound [Term] id: CHEBI:39227 name: hexachloroethane namespace: chebi_ontology def: "A member of the class of chloroethanes that is ethane in which all the hydrogens are replaced by chloro groups." [] subset: 3_STAR synonym: "1,1,1,2,2,2-hexachloroethane" RELATED [ChemIDplus] synonym: "C2Cl6" RELATED [IUPAC] synonym: "carbon hexachloride" RELATED [NIST_Chemistry_WebBook] synonym: "Hexachloraethan" RELATED [ChEBI] synonym: "Hexachlorethan" RELATED [ChEBI] synonym: "hexachloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "perchloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "R-110" RELATED [ChEBI] xref: Beilstein:1740341 {source="ChemIDplus"} xref: CAS:67-72-1 {source="KEGG COMPOUND"} xref: CAS:67-72-1 {source="NIST Chemistry WebBook"} xref: CAS:67-72-1 {source="ChemIDplus"} xref: Gmelin:26648 {source="Gmelin"} xref: KEGG:C19248 xref: MetaCyc:HEXACHLOROETHANE xref: Patent:CN103086839 xref: Patent:CN202185170 xref: PMID:12169420 {source="Europe PMC"} xref: PMID:12695780 {source="Europe PMC"} xref: PMID:21852846 {source="Europe PMC"} xref: PMID:23942782 {source="Europe PMC"} xref: Reaxys:1740341 {source="Reaxys"} xref: Wikipedia:Hexachloroethane is_a: CHEBI:36016 ! chloroethanes is_a: CHEBI:39226 ! chlorocarbon relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHHHONWQHHHLTI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.73760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.81312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:39258 name: diphenyl ether namespace: chebi_ontology def: "An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla." [] subset: 3_STAR synonym: "1,1'-oxybis(benzene)" RELATED [ChemIDplus] synonym: "1,1'-oxybisbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-oxydibenzene" EXACT IUPAC_NAME [IUPAC] synonym: "diphenyl ether" EXACT [NIST_Chemistry_WebBook] synonym: "diphenyl oxide" RELATED [ChemIDplus] synonym: "Diphenylaether" RELATED [ChEBI] synonym: "Diphenylether" RELATED [ChEBI] synonym: "Diphenyloxid" RELATED [ChEBI] synonym: "oxybisbenzene" RELATED [ChemIDplus] synonym: "phenoxybenzene" EXACT IUPAC_NAME [IUPAC] synonym: "phenyl ether" RELATED [ChemIDplus] xref: Beilstein:1364620 {source="ChemIDplus"} xref: CAS:101-84-8 {source="ChemIDplus"} xref: CAS:101-84-8 {source="NIST Chemistry WebBook"} xref: Gmelin:165477 {source="Gmelin"} xref: HMDB:HMDB0034446 xref: Reaxys:1364620 {source="Reaxys"} xref: Wikipedia:Diphenyl_ether is_a: CHEBI:35618 ! aromatic ether relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "USIUVYZYUHIAEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.20720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:39259 name: pyrethroid ester acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:39262 name: phenoxyphenol namespace: chebi_ontology subset: 3_STAR synonym: "phenoxyphenol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:39258 ! diphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.06808" xsd:string [Term] id: CHEBI:39264 name: 4-phenoxyphenol namespace: chebi_ontology subset: 3_STAR synonym: "4-hydroxydiphenyl ether" RELATED [ChemIDplus] synonym: "4-phenoxyphenol" EXACT IUPAC_NAME [IUPAC] synonym: "p-hydroxydiphenyl ether" RELATED [ChemIDplus] synonym: "p-phenoxyphenol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2047182 {source="Beilstein"} xref: CAS:831-82-3 {source="ChemIDplus"} xref: CAS:831-82-3 {source="NIST Chemistry WebBook"} xref: Gmelin:604158 {source="Gmelin"} is_a: CHEBI:39262 ! phenoxyphenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSBDGXGICLIJGD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.20660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Oc2ccccc2)cc1" xsd:string [Term] id: CHEBI:39268 name: dibenzothiazepine namespace: chebi_ontology subset: 3_STAR synonym: "dibenzothiazepines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:39275 name: bromomethane namespace: chebi_ontology def: "A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae." [] subset: 3_STAR synonym: "Brommethan" RELATED [ChEBI] synonym: "BROMOMETHANE" EXACT [PDBeChem] synonym: "bromomethane" EXACT IUPAC_NAME [IUPAC] synonym: "bromomethane" EXACT [UniProt] synonym: "CH3Br" RELATED [IUPAC] synonym: "Embafume" RELATED [ChemIDplus] synonym: "MeBr" RELATED [IUPAC] synonym: "methyl bromide" RELATED [NIST_Chemistry_WebBook] synonym: "Methylbromid" RELATED [NIST_Chemistry_WebBook] synonym: "Monobrommethan" RELATED [ChEBI] synonym: "monobromomethane" RELATED [ChemIDplus] xref: Beilstein:1209223 {source="Beilstein"} xref: CAS:74-83-9 {source="NIST Chemistry WebBook"} xref: CAS:74-83-9 {source="KEGG COMPOUND"} xref: CAS:74-83-9 {source="ChemIDplus"} xref: FooDB:FDB008126 xref: Gmelin:916 {source="Gmelin"} xref: HMDB:HMDB0031524 xref: KEGG:C18447 xref: MetaCyc:CPD-12221 xref: PDBeChem:BMM xref: PMID:11878373 {source="Europe PMC"} xref: PMID:17265727 {source="Europe PMC"} xref: PMID:18853797 {source="Europe PMC"} xref: PMID:23800997 {source="Europe PMC"} xref: PMID:28614932 {source="Europe PMC"} xref: PMID:31832645 {source="Europe PMC"} xref: PMID:32067016 {source="Europe PMC"} xref: PMID:32245114 {source="Europe PMC"} xref: PMID:32745138 {source="Europe PMC"} xref: PPDB:462 xref: Reaxys:1209223 {source="Reaxys"} xref: Wikipedia:Bromomethane is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:25253 ! methyl halides is_a: CHEBI:39278 ! bromomethanes relationship: has_role CHEBI:39277 ! fumigant insecticide relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3Br/c1-2/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GZUXJHMPEANEGY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.93852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.94181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([H])Br" xsd:string [Term] id: CHEBI:39276 name: fumigant namespace: chebi_ontology def: "A volatile or volatilizable chemical compound utilized for control of pests in buildings, soil, grain, as well as during processing of goods to be imported or exported to prevent transfer of exotic organisms." [] subset: 3_STAR synonym: "fumigant pesticide" RELATED [ChEBI] synonym: "fumigants" RELATED [ChEBI] xref: Wikipedia:Fumigation is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:39277 name: fumigant insecticide namespace: chebi_ontology subset: 3_STAR synonym: "fumigant insecticides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide is_a: CHEBI:39276 ! fumigant [Term] id: CHEBI:39278 name: bromomethanes namespace: chebi_ontology def: "A halomethane that is methane in which one or more hydrogens has been replaced by bromine." [] subset: 3_STAR is_a: CHEBI:22929 ! bromoalkane is_a: CHEBI:39279 ! halomethane [Term] id: CHEBI:39279 name: halomethane namespace: chebi_ontology def: "A haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms." [] subset: 3_STAR synonym: "halomethane" EXACT [ChEBI] synonym: "halomethanes" RELATED [ChEBI] is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:64708 ! one-carbon compound relationship: has_parent_hydride CHEBI:16183 ! methane [Term] id: CHEBI:39281 name: fluoromethanes namespace: chebi_ontology def: "A halomethane that is methane in which one or more hydrogens has been replaced by fluorine." [] subset: 3_STAR is_a: CHEBI:24067 ! fluoroalkane is_a: CHEBI:39279 ! halomethane [Term] id: CHEBI:39282 name: iodomethane namespace: chebi_ontology def: "A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine." [] subset: 3_STAR synonym: "CH3I" RELATED [IUPAC] synonym: "Iodmethan" RELATED [ChEBI] synonym: "iodomethane" EXACT [UniProt] synonym: "iodomethane" EXACT IUPAC_NAME [IUPAC] synonym: "Jod-methan" RELATED [NIST_Chemistry_WebBook] synonym: "MeI" RELATED [IUPAC] synonym: "methyl iodide" RELATED [ChemIDplus] synonym: "Methyliodid" RELATED [ChEBI] synonym: "Methyljodid" RELATED [NIST_Chemistry_WebBook] synonym: "Monoiodmethan" RELATED [ChEBI] synonym: "monoiodomethane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:969135 {source="Beilstein"} xref: CAS:74-88-4 {source="KEGG COMPOUND"} xref: CAS:74-88-4 {source="NIST Chemistry WebBook"} xref: CAS:74-88-4 {source="ChemIDplus"} xref: Gmelin:1233 {source="Gmelin"} xref: KEGG:C18448 xref: PMID:19806715 {source="Europe PMC"} xref: PMID:8750905 {source="Europe PMC"} xref: PPDB:1233 xref: Reaxys:969135 {source="Reaxys"} xref: Wikipedia:Iodomethane is_a: CHEBI:25253 ! methyl halides is_a: CHEBI:39284 ! iodomethanes relationship: has_role CHEBI:39277 ! fumigant insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3I" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3I/c1-2/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "INQOMBQAUSQDDS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "141.93899" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.92795" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([H])I" xsd:string [Term] id: CHEBI:39284 name: iodomethanes namespace: chebi_ontology def: "A halomethane that is methane in which one or more hydrogens has been replaced by iodine." [] subset: 3_STAR is_a: CHEBI:37757 ! iodoalkane is_a: CHEBI:39279 ! halomethane [Term] id: CHEBI:39285 name: chloropicrin is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:64708 ! one-carbon compound [Term] id: CHEBI:39287 name: sulfuryl difluoride namespace: chebi_ontology subset: 3_STAR synonym: "difluoridodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "difluorodioxosulfur" RELATED [IUPAC] synonym: "SF2O2" RELATED [IUPAC] synonym: "SO2F2" RELATED [NIST_Chemistry_WebBook] synonym: "sulfonyl difluoride" EXACT IUPAC_NAME [IUPAC] synonym: "sulfonyl fluoride" RELATED [NIST_Chemistry_WebBook] synonym: "sulfur difluoride dioxide" RELATED [ChemIDplus] synonym: "sulfur dioxide difluoride" RELATED [NIST_Chemistry_WebBook] synonym: "sulfuric oxyfluoride" RELATED [NIST_Chemistry_WebBook] synonym: "sulfuryl difluoride" EXACT [NIST_Chemistry_WebBook] synonym: "sulfuryl fluoride" RELATED [ChemIDplus] synonym: "Sulfurylfluorid" RELATED [ChEBI] synonym: "sulphuryl difluoride" RELATED [ChemIDplus] synonym: "sulphuryl fluoride" RELATED [NIST_Chemistry_WebBook] xref: CAS:2699-79-8 {source="ChemIDplus"} xref: CAS:2699-79-8 {source="NIST Chemistry WebBook"} xref: Gmelin:2095 {source="Gmelin"} xref: PPDB:1569 is_a: CHEBI:39443 ! sulfuryl halide relationship: has_role CHEBI:39277 ! fumigant insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F2O2S/c1-5(2,3)4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OBTWBSRJZRCYQV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.06161" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.95871" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(=O)=O" xsd:string [Term] id: CHEBI:39288 name: hexafluoroaluminate(3-) namespace: chebi_ontology subset: 3_STAR synonym: "(OC-6-11)-hexafluoroaluminate(3-)" RELATED [ChemIDplus] synonym: "[AlF6](3-)" RELATED [MolBase] synonym: "AlF6(3-)" RELATED [ChEBI] synonym: "hexafluoridoaluminate(3-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:21340-03-4 {source="ChemIDplus"} xref: Gmelin:68810 {source="Gmelin"} xref: MolBase:790 is_a: CHEBI:36668 ! aluminium coordination entity is_a: CHEBI:51528 ! perfluorometallate anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AlF6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al.6FH/h;6*1H/q+3;;;;;;/p-6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SEGUCIUJQMRTGG-UHFFFAOYSA-H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.97196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.97360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[Al-3](F)(F)(F)(F)F" xsd:string [Term] id: CHEBI:39289 name: trisodium hexafluoroaluminate namespace: chebi_ontology subset: 3_STAR synonym: "Aluminum sodium fluoride" RELATED [KEGG_COMPOUND] synonym: "aluminum trisodium hexafluoride" RELATED [ChemIDplus] synonym: "Na3[AlF6]" RELATED [IUPAC] synonym: "Na3AlF6" RELATED [IUPAC] synonym: "sodium aluminum fluoride" RELATED [ChemIDplus] synonym: "sodium aluminum hexafluoride" RELATED [ChemIDplus] synonym: "sodium fluoroaluminate(3-)" RELATED [ChemIDplus] synonym: "sodium hexafluoridoaluminate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium hexafluoridoaluminate(III)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium hexafluoroaluminate" RELATED [ChemIDplus] synonym: "trisodium (OC-6-11)-hexafluoroaluminate(3-)" RELATED [ChemIDplus] synonym: "trisodium aluminum hexafluoride" RELATED [ChemIDplus] synonym: "trisodium hexafluoridoaluminate" EXACT IUPAC_NAME [IUPAC] synonym: "trisodium hexafluoroaluminate" EXACT [ChemIDplus] synonym: "trisodium hexafluoroaluminate(3-)" RELATED [ChemIDplus] xref: BPDB:2543 xref: CAS:13775-53-6 {source="ChemIDplus"} xref: CAS:15096-52-3 {source="KEGG COMPOUND"} xref: KEGG:C18816 is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:51531 ! perfluorometallate salt relationship: has_part CHEBI:39288 ! hexafluoroaluminate(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AlF6Na3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REHXRBDMVPYGJX-UHFFFAOYSA-H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.94127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.94127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[Na+].F[Al-3](F)(F)(F)(F)F" xsd:string [Term] id: CHEBI:39291 name: flonicamid namespace: chebi_ontology def: "A pyridinecarboxamide that is nicotinamide substituted by a trifluoromethyl group at position 4 and a cyanomethyl group at the carbamoyl nitrogen atom." [] subset: 3_STAR synonym: "Flonicamid" EXACT [ChemIDplus] synonym: "N-(cyanomethyl)-4-(trifluoromethyl)nicotinamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:158062-67-0 {source="KEGG COMPOUND"} xref: CAS:158062-67-0 {source="ChemIDplus"} xref: KEGG:C18463 xref: Pesticides:flonicamid {source="Alan Wood's Pesticides"} xref: PMID:20053120 {source="Europe PMC"} xref: PMID:24408346 {source="Europe PMC"} xref: PMID:24679799 {source="Europe PMC"} xref: PPDB:321 xref: Reaxys:11343090 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:25529 ! pyridinecarboxamide is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:17154 ! nicotinamide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6F3N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLQJEEJISHYWON-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.15877" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.04630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)c1ccncc1C(=O)NCC#N" xsd:string [Term] id: CHEBI:39292 name: organotin acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39293 ! organotin pesticide relationship: has_role CHEBI:22153 ! acaricide [Term] id: CHEBI:39293 name: organotin pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25717 ! organotin compound [Term] id: CHEBI:39294 name: fenbutatin oxide namespace: chebi_ontology subset: 3_STAR synonym: "bis(tris(2-methyl-2-phenylpropyl)tin)oxide" RELATED [ChemIDplus] synonym: "Bis[tris(2-methyl-2-phenylpropyl)tin]oxide" RELATED [KEGG_COMPOUND] synonym: "di(tri-(2,2-dimethyl-2-phenylethyl)tin)oxide" RELATED [ChemIDplus] synonym: "fenbutatin oxide" EXACT [ChemIDplus] synonym: "hexakis(2-methyl-2-phenylpropyl)distannoxane" EXACT IUPAC_NAME [IUPAC] synonym: "hexakis(beta,beta-dimethylphenethyl)distannoxane" RELATED [ChemIDplus] synonym: "SD 14114" RELATED [ChemIDplus] synonym: "Torque" RELATED [ChemIDplus] synonym: "Vendex" RELATED [ChemIDplus] xref: Beilstein:4097400 {source="ChemIDplus"} xref: CAS:13356-08-6 {source="KEGG COMPOUND"} xref: CAS:13356-08-6 {source="NIST Chemistry WebBook"} xref: CAS:13356-08-6 {source="ChemIDplus"} xref: Gmelin:1585258 {source="Gmelin"} xref: Gmelin:1825781 {source="Gmelin"} xref: Gmelin:27103 {source="Gmelin"} xref: KEGG:C15435 xref: PPDB:294 is_a: CHEBI:39292 ! organotin acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C60H78OSn2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HOXINJBQVZWYGZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1052.68072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1054.40967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:39298 name: organosulfur acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39189 ! organosulfur pesticide relationship: has_role CHEBI:22153 ! acaricide [Term] id: CHEBI:39300 name: propargite namespace: chebi_ontology subset: 3_STAR synonym: "2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulfite" RELATED [ChemIDplus] synonym: "2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite" RELATED [ChemIDplus] synonym: "2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite" RELATED [ChemIDplus] synonym: "2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl sulfite" RELATED [ChemIDplus] synonym: "2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite" RELATED [ChemIDplus] synonym: "BPPS" RELATED [ChemIDplus] synonym: "BPPS" RELATED [KEGG_COMPOUND] synonym: "Propargite" EXACT [ChemIDplus] xref: Beilstein:6934289 {source="Beilstein"} xref: CAS:2312-35-8 {source="ChemIDplus"} xref: CAS:2312-35-8 {source="KEGG COMPOUND"} xref: KEGG:C18602 xref: PPDB:547 is_a: CHEBI:39088 ! sulfite ester is_a: CHEBI:73477 ! terminal acetylenic compound relationship: has_role CHEBI:39301 ! sulfite ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H26O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZYHMJXZULPZUED-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "350.47334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "350.15518" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1" xsd:string [Term] id: CHEBI:39301 name: sulfite ester acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:39308 name: 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2046523 {source="Beilstein"} xref: CAS:55701-05-8 {source="ChemIDplus"} is_a: CHEBI:36683 ! organochlorine compound relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10Cl2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LLMLSUSAKZVFOA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.06920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "208.00579" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C=C(Cl)Cl)C1C(O)=O" xsd:string [Term] id: CHEBI:39311 name: pymetrozine namespace: chebi_ontology def: "A member of the class of 1,2,4-triazines that is 4,5-dihydro-1,2,4-triazin-3(2H)-one substituted by a methyl group at position 6 and a (pyridin-3-ylmethylidene)amino group at position 4." [] subset: 3_STAR synonym: "(E)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one" RELATED [ChemIDplus] synonym: "6-methyl-4-{[(1E)-pyridin-3-ylmethylene]amino}-4,5-dihydro-1,2,4-triazin-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "Pymetrozine" EXACT [ChemIDplus] synonym: "pymetrozine" EXACT [ChEBI] xref: Beilstein:7814151 {source="Beilstein"} xref: CAS:123312-89-0 {source="ChemIDplus"} xref: CAS:123312-89-0 {source="KEGG COMPOUND"} xref: KEGG:C18590 xref: Pesticides:pymetrozine {source="Alan Wood's Pesticides"} xref: PMID:16339866 {source="Europe PMC"} xref: PMID:18330119 {source="Europe PMC"} xref: PPDB:562 xref: Reaxys:7814151 {source="Reaxys"} is_a: CHEBI:26421 ! pyridines is_a: CHEBI:39410 ! 1,2,4-triazines relationship: has_role CHEBI:142782 ! TRPV channel modulator relationship: has_role CHEBI:22583 ! antifeedant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QHMTXANCGGJZRX-WUXMJOGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "217.22744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "217.09636" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=NNC(=O)N(C1)\\N=C\\c1cccnc1" xsd:string [Term] id: CHEBI:39316 name: mite growth regulator namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22153 ! acaricide is_a: CHEBI:39317 ! growth regulator [Term] id: CHEBI:39317 name: growth regulator namespace: chebi_ontology def: "Any chemical substance that inhibits the life-cycle of an organism." [] subset: 3_STAR synonym: "growth regulators" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:39318 name: tetrazine acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:39319 name: 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid namespace: chebi_ontology def: "An organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position." [] subset: 3_STAR synonym: "3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid" EXACT [ChEBI] xref: Beilstein:1969652 {source="Beilstein"} xref: CAS:74609-46-4 {source="ChemIDplus"} xref: Reaxys:1969652 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10ClF3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPVZAYWHHVLPBN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.62241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.03214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C=C(Cl)C(F)(F)F)C1C(O)=O" xsd:string [Term] id: CHEBI:39345 name: 2-(4-chlorophenyl)-3-methylbutyric acid namespace: chebi_ontology def: "A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position." [] subset: 3_STAR synonym: "2-(4-chlorophenyl)-3-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:2012-74-0 {source="ChemIDplus"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:28484 ! isovaleric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H13ClO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTJMSIIXXKNIDJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.67242" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.06041" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(C(O)=O)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:39349 name: 4,6-dinitro-o-cresol namespace: chebi_ontology def: "A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6." [] subset: 3_STAR synonym: "2,4-Dinitro-6-methylphenol" RELATED [KEGG_COMPOUND] synonym: "2-methyl-4,6-dinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-dinitro-2-hydroxytoluene" RELATED [ChemIDplus] synonym: "4,6-Dinitro-o-cresol" EXACT [KEGG_COMPOUND] synonym: "4,6-dinitro-o-cresol" EXACT [NIST_Chemistry_WebBook] synonym: "6-methyl-2,4-dinitrophenol" RELATED [NIST_Chemistry_WebBook] synonym: "Antinonnin" RELATED [NIST_Chemistry_WebBook] synonym: "DNOC" RELATED [ChemIDplus] xref: Beilstein:2054389 {source="ChemIDplus"} xref: CAS:534-52-1 {source="ChemIDplus"} xref: CAS:534-52-1 {source="KEGG COMPOUND"} xref: CAS:534-52-1 {source="NIST Chemistry WebBook"} xref: KEGG:C18653 xref: PMID:11775154 {source="Europe PMC"} xref: PMID:1960763 {source="Europe PMC"} xref: PPDB:261 xref: Reaxys:2054389 {source="Reaxys"} is_a: CHEBI:24751 ! hydroxytoluene is_a: CHEBI:25566 ! nitrotoluene is_a: CHEBI:39363 ! dinitrophenol acaricide relationship: has_functional_parent CHEBI:28054 ! o-cresol relationship: has_functional_parent CHEBI:42017 ! 2,4-dinitrophenol relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:39415 ! dinitrophenol insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXVONLUNISGICL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.13290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.02767" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:39351 name: pyrethroid ether insecticide namespace: chebi_ontology subset: 3_STAR synonym: "pyrethroid ether insecticides" RELATED [ChEBI] is_a: CHEBI:26413 ! pyrethroid insecticide [Term] id: CHEBI:39352 name: dinitrophenol namespace: chebi_ontology def: "Members of the class of nitrophenol carrying two nitro substituents." [] subset: 3_STAR synonym: "dinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "dinitrophenols" RELATED [ChEBI] xref: CAS:25550-58-7 {source="ChemIDplus"} is_a: CHEBI:25562 ! nitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "184.01202" xsd:string [Term] id: CHEBI:39353 name: fenpropathrin namespace: chebi_ontology def: "A cyclopropanecarboxylate ester obtained by formal condensation between 2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol." [] subset: 3_STAR synonym: "(+-)-fenpropathrin" RELATED [ChemIDplus] synonym: "2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester" RELATED [ChemIDplus] synonym: "cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Meothrin" RELATED [ChemIDplus] xref: Beilstein:2673776 {source="Beilstein"} xref: CAS:39515-41-8 {source="KEGG COMPOUND"} xref: CAS:39515-41-8 {source="ChemIDplus"} xref: KEGG:C18411 xref: Patent:DE2231312 xref: Patent:US3835176 xref: PMID:10552511 {source="Europe PMC"} xref: PMID:12952428 {source="Europe PMC"} xref: PMID:18808096 {source="Europe PMC"} xref: PMID:20640937 {source="Europe PMC"} xref: PMID:21052987 {source="Europe PMC"} xref: PMID:21181490 {source="Europe PMC"} xref: PMID:21370394 {source="Europe PMC"} xref: PMID:21381771 {source="Europe PMC"} xref: PMID:21404693 {source="Europe PMC"} xref: PMID:21503692 {source="Europe PMC"} xref: PMID:21727000 {source="Europe PMC"} xref: PMID:21785877 {source="Europe PMC"} xref: PMID:8571384 {source="Europe PMC"} xref: PPDB:306 xref: Reaxys:2673776 {source="Reaxys"} is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:39355 ! 2,2,3,3-tetramethylcyclopropanecarboxylic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H23NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XQUXKZZNEFRCAW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "349.42296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "349.16779" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C" xsd:string [Term] id: CHEBI:39355 name: 2,2,3,3-tetramethylcyclopropanecarboxylic acid namespace: chebi_ontology def: "A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents." [] subset: 3_STAR synonym: "2,2,3,3-tetramethylcyclopropanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:15641-58-4 {source="ChemIDplus"} is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14O2/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFHVXKNMCGSLAR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.19556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C(O)=O)C1(C)C" xsd:string [Term] id: CHEBI:39362 name: mononitrophenol namespace: chebi_ontology def: "A nitrophenol that is phenol carrying a single nitro substituent at unspecified position." [] subset: 3_STAR synonym: "hydroxynitrobenzenes" RELATED [ChemIDplus] synonym: "mononitrophenol" EXACT [ChemIDplus] synonym: "nitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "nitrophenols" RELATED [ChemIDplus] xref: CAS:25154-55-6 {source="ChemIDplus"} is_a: CHEBI:25562 ! nitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "139.109" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "139.02694" xsd:string [Term] id: CHEBI:39363 name: dinitrophenol acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39364 ! dinitrophenol pesticide is_a: CHEBI:39366 ! organonitrogen acaricide [Term] id: CHEBI:39364 name: dinitrophenol pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39365 ! organonitrogen pesticide [Term] id: CHEBI:39365 name: organonitrogen pesticide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:35352 ! organonitrogen compound relationship: has_role CHEBI:25944 ! pesticide [Term] id: CHEBI:39366 name: organonitrogen acaricide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:39365 ! organonitrogen pesticide relationship: has_role CHEBI:22153 ! acaricide [Term] id: CHEBI:39369 name: pyrethroid ether acaricide namespace: chebi_ontology subset: 3_STAR synonym: "pyrethroid ether acaricides" RELATED [ChEBI] is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:39378 name: homopteran inhibitor of chitin biosynthesis namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:23100 ! chitin synthesis inhibitor [Term] id: CHEBI:39379 name: lepidopteran inhibitor of chitin biosynthesis namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:23100 ! chitin synthesis inhibitor [Term] id: CHEBI:39387 name: teflubenzuron namespace: chebi_ontology def: "A N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom." [] subset: 3_STAR synonym: "1-(3,5-dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)urea" RELATED [ChemIDplus] synonym: "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-{[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl}-2,6-difluorobenzamide" RELATED [IUPAC] synonym: "Teflubenzuron" EXACT [ChemIDplus] xref: Beilstein:8229925 {source="Beilstein"} xref: CAS:83121-18-0 {source="ChemIDplus"} xref: CAS:83121-18-0 {source="KEGG COMPOUND"} xref: CAS:99039-56-2 {source="ChemIDplus"} xref: KEGG:C18437 xref: Pesticides:teflubenzuron {source="Alan Wood's Pesticides"} xref: PMID:22641111 {source="Europe PMC"} xref: PMID:23581694 {source="Europe PMC"} xref: PMID:24555954 {source="Europe PMC"} xref: PPDB:616 xref: Reaxys:8229925 {source="Reaxys"} xref: VSDB:616 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:38582 ! difluorobenzene is_a: CHEBI:74266 ! N-acylurea relationship: has_functional_parent CHEBI:39416 ! N-benzoylurea relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H6Cl2F4N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CJDWRQLODFKPEL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "381.10873" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "379.97425" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F" xsd:string [Term] id: CHEBI:39397 name: tetramethrin namespace: chebi_ontology subset: 3_STAR synonym: "(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Neo-pynamin" RELATED [KEGG_COMPOUND] synonym: "Neopinamin" RELATED [ChemIDplus] synonym: "Phthalthrin" RELATED [KEGG_COMPOUND] xref: Beilstein:1547171 {source="Beilstein"} xref: CAS:7696-12-0 {source="ChemIDplus"} xref: CAS:7696-12-0 {source="KEGG COMPOUND"} xref: Drug_Central:4730 {source="DrugCentral"} xref: KEGG:C18373 xref: KEGG:D07368 xref: PPDB:628 is_a: CHEBI:39398 ! phthalimide insecticide is_a: CHEBI:50351 ! cyclopropanecarboxylate ester is_a: CHEBI:55417 ! maleimides relationship: has_functional_parent CHEBI:3680 ! chrysanthemic acid relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H25NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXBMCYHAMVGWJQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.40614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.17836" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C" xsd:string [Term] id: CHEBI:39398 name: phthalimide insecticide namespace: chebi_ontology subset: 3_STAR synonym: "phthalimide insecticides" RELATED [ChEBI] is_a: CHEBI:82851 ! phthalimides relationship: has_role CHEBI:24852 ! insecticide [Term] id: CHEBI:39410 name: 1,2,4-triazines namespace: chebi_ontology def: "Any compound with a 1,2,4-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 2 and 4 of the core benzene ring structure." [] subset: 3_STAR xref: PMID:20194696 {source="Europe PMC"} is_a: CHEBI:38102 ! triazines [Term] id: CHEBI:39412 name: bridged diphenyl acaricide namespace: chebi_ontology subset: 3_STAR synonym: "bridged diphenyl acaricides" RELATED [ChEBI] is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:39415 name: dinitrophenol insecticide namespace: chebi_ontology subset: 3_STAR synonym: "dinitrophenol insecticides" RELATED [ChEBI] is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:39416 name: N-benzoylurea namespace: chebi_ontology def: "An N-acylurea that is urea in which one of the hydrogens is replaced by a benzoyl group." [] subset: 3_STAR synonym: "1-Benzoylurea" RELATED [ChemIDplus] synonym: "Benzoylurea" RELATED [ChemIDplus] synonym: "N-(aminocarbonyl)benzamide" RELATED [ChemIDplus] synonym: "N-carbamoylbenzamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2045538 {source="Beilstein"} xref: CAS:614-22-2 {source="ChemIDplus"} xref: Reaxys:2045538 {source="Reaxys"} is_a: CHEBI:74266 ! N-acylurea property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRYILSDLIGTCOP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.16140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.05858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)NC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:39417 name: branched-chain saturated fatty acid namespace: chebi_ontology def: "Any saturated fatty acid with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched saturated fatty acid" RELATED [ChEBI] synonym: "branched saturated fatty acids" RELATED [ChEBI] synonym: "branched-chain saturated fatty acid" EXACT [ChEBI] synonym: "branched-chain saturated fatty acids" RELATED [ChEBI] is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:35819 ! branched-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58956 ! branched-chain saturated fatty acid anion [Term] id: CHEBI:39418 name: straight-chain saturated fatty acid namespace: chebi_ontology def: "Any saturated fatty acid lacking a side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid" EXACT [ChEBI] synonym: "straight-chain saturated fatty acids" RELATED [ChEBI] xref: PMID:15644336 {source="Europe PMC"} is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58954 ! straight-chain saturated fatty acid anion [Term] id: CHEBI:39421 name: perfluorooctane-1-sulfonic acid namespace: chebi_ontology def: "A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines." [] subset: 3_STAR synonym: "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-perfluorooctanesulfonic acid" RELATED [ChemIDplus] synonym: "heptadecafluoro-1-octanesulfonic acid" RELATED [ChemIDplus] synonym: "perfluorooctanesulfonic acid" RELATED [HMDB] synonym: "Perfluorooctylsulfonic acid" RELATED [KEGG_COMPOUND] synonym: "perfluorooctylsulfonic acid" RELATED [ChemIDplus] synonym: "PFOS" RELATED [ChemIDplus] synonym: "PFOS" RELATED [KEGG_COMPOUND] xref: Beilstein:1813859 {source="Beilstein"} xref: CAS:1763-23-1 {source="ChemIDplus"} xref: CAS:1763-23-1 {source="KEGG COMPOUND"} xref: Gmelin:580137 {source="Gmelin"} xref: HMDB:HMDB0059586 xref: KEGG:C18142 xref: Reaxys:1813859 {source="Reaxys"} xref: Wikipedia:Perfluorooctanesulfonic_acid is_a: CHEBI:132447 ! perfluoroalkanesulfonic acid relationship: has_functional_parent CHEBI:39422 ! octane-1-sulfonic acid relationship: has_role CHEBI:35679 ! antilipemic drug relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8HF17O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YFSUTJLHUFNCNZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "500.13000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "499.93749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:39422 name: octane-1-sulfonic acid namespace: chebi_ontology subset: 3_STAR synonym: "octane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1764338 {source="Beilstein"} xref: CAS:3944-72-7 {source="ChemIDplus"} is_a: CHEBI:33551 ! organosulfonic acid relationship: has_role CHEBI:36333 ! local anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLGDAKIJYPIYLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.29272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.09767" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCS(O)(=O)=O" xsd:string [Term] id: CHEBI:39426 name: perfluorobutyric acid namespace: chebi_ontology def: "A monocarboxylic acid that is perfluorinated butyric acid." [] subset: 3_STAR synonym: "Heptafluoro-1-butanoic acid" RELATED [ChemIDplus] synonym: "heptafluorobutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Heptafluorobutyric acid" RELATED [ChemIDplus] synonym: "Perfluorobutanoic acid" RELATED [ChemIDplus] synonym: "Perfluoropropanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:1426882 {source="Beilstein"} xref: CAS:375-22-4 {source="ChemIDplus"} xref: PMID:24114467 {source="Europe PMC"} xref: PMID:24756992 {source="Europe PMC"} xref: Reaxys:1426882 {source="Reaxys"} xref: Wikipedia:Heptafluorobutyric_acid is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:30772 ! butyric acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:59745 ! chromatographic reagent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HF7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YPJUNDFVDDCYIH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.03840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.98648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:39429 name: hexafluoroacetone namespace: chebi_ontology def: "A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups." [] subset: 3_STAR synonym: "(CF3)2CO" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,1,3,3,3-hexafluoro-2-propanone" RELATED [ChemIDplus] synonym: "1,1,1,3,3,3-hexafluoroacetone" EXACT IUPAC_NAME [IUPAC] synonym: "6FK" RELATED [ChemIDplus] synonym: "hexafluoropropanone" RELATED [NIST_Chemistry_WebBook] synonym: "perfluoro-2-propanone" RELATED [ChemIDplus] synonym: "perfluoroacetone" RELATED [ChemIDplus] xref: Beilstein:607236 {source="Beilstein"} xref: CAS:684-16-2 {source="ChemIDplus"} xref: CAS:684-16-2 {source="NIST Chemistry WebBook"} xref: Gmelin:27263 {source="Gmelin"} xref: Patent:CN102964231 xref: Patent:CN102976908 xref: PMID:22481381 {source="Europe PMC"} xref: PMID:24186328 {source="Europe PMC"} xref: Reaxys:607236 {source="Reaxys"} xref: Wikipedia:Hexafluoroacetone is_a: CHEBI:134091 ! perfluorinated compound is_a: CHEBI:17087 ! ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3F6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBZWSGALLODQNC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.02192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.98533" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(=O)C(F)(F)F" xsd:string [Term] id: CHEBI:39430 name: dioxolane namespace: chebi_ontology subset: 3_STAR synonym: "dioxolanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:39437 name: tocol namespace: chebi_ontology alt_id: CHEBI:27010 alt_id: CHEBI:27011 def: "A chromanol with a chroman-6-ol skeleton that is substituted at position 2 by a saturated or triply-unsaturated hydrocarbon chain consisting of three isoprenoid units." [] subset: 3_STAR synonym: "2-methyl-2-phytyl-6-chromanol" RELATED [ChemIDplus] synonym: "tocols" RELATED [ChEBI] xref: CAS:119-98-2 {source="ChemIDplus"} xref: Reaxys:1436460 {source="Reaxys"} is_a: CHEBI:23229 ! chromanol relationship: has_functional_parent CHEBI:78631 ! chroman-6-ol relationship: has_role CHEBI:22586 ! antioxidant property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39442 name: fluorescent probe namespace: chebi_ontology def: "A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy." [] subset: 3_STAR is_a: CHEBI:50406 ! probe [Term] id: CHEBI:39443 name: sulfuryl halide namespace: chebi_ontology subset: 3_STAR synonym: "sulfonyl halide" RELATED [ChEBI] synonym: "sulfonyl halides" RELATED [ChEBI] synonym: "sulfuryl halide" EXACT [ChEBI] synonym: "sulfuryl halides" RELATED [ChEBI] is_a: CHEBI:37826 ! sulfuric acid derivative [Term] id: CHEBI:39444 name: diazo compound namespace: chebi_ontology def: "Compounds containing a group =N2 attached to a single carbon atom. They are named by adding the prefix 'diazo-' to the name of the parent hydride or functional parent." [] subset: 3_STAR synonym: "diazo compounds" EXACT IUPAC_NAME [IUPAC] synonym: "diazo compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_part CHEBI:30105 ! diazo group [Term] id: CHEBI:39447 name: pyrimidines namespace: chebi_ontology alt_id: CHEBI:13681 alt_id: CHEBI:26448 def: "Any compound having a pyrimidine as part of its structure." [] subset: 3_STAR is_a: CHEBI:38313 ! diazines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39474 name: polyazaalkane namespace: chebi_ontology def: "Any azaalkane in which two or more carbons in the chain are replaced by nitrogen." [] subset: 3_STAR synonym: "polyazaalkanes" RELATED [ChEBI] is_a: CHEBI:46686 ! azaalkane is_a: CHEBI:88061 ! polyamine [Term] id: CHEBI:39478 name: buta-1,3-diene namespace: chebi_ontology def: "A butadiene with unsaturation at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Butadien" RELATED [ChEBI] synonym: "1,3-butadiene" RELATED [ChemIDplus] synonym: "alpha,gamma-butadiene" RELATED [NIST_Chemistry_WebBook] synonym: "bivinyl" RELATED [ChemIDplus] synonym: "Buta-1,3-dien" RELATED [ChEBI] synonym: "buta-1,3-diene" EXACT IUPAC_NAME [IUPAC] synonym: "CH2=CH-CH=CH2" RELATED [IUPAC] synonym: "divinyl" RELATED [NIST_Chemistry_WebBook] synonym: "vinylethylene" RELATED [ChemIDplus] xref: Beilstein:605258 {source="Beilstein"} xref: CAS:106-99-0 {source="ChemIDplus"} xref: CAS:106-99-0 {source="NIST Chemistry WebBook"} xref: CAS:106-99-0 {source="KEGG COMPOUND"} xref: Gmelin:25198 {source="Gmelin"} xref: HMDB:HMDB0041792 xref: KEGG:C16450 xref: PMID:11018742 {source="Europe PMC"} xref: PMID:11397424 {source="Europe PMC"} xref: PMID:7520987 {source="Europe PMC"} xref: PMID:7859343 {source="Europe PMC"} xref: PPDB:1636 xref: Reaxys:605258 {source="Reaxys"} xref: Wikipedia:1\,3-Butadiene is_a: CHEBI:39479 ! butadiene relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KAKZBPTYRLMSJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.09044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=CC=C" xsd:string [Term] id: CHEBI:39479 name: butadiene namespace: chebi_ontology subset: 3_STAR synonym: "Butadien" RELATED [ChEBI] synonym: "butadiene" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33646 ! alkadiene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.091" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.04695" xsd:string [Term] id: CHEBI:39481 name: chloroprene namespace: chebi_ontology subset: 3_STAR synonym: "2-Chlor-1,3-butadien" RELATED [NIST_Chemistry_WebBook] synonym: "2-Chloro-1,3-butadiene" RELATED [KEGG_COMPOUND] synonym: "2-chloro-1,3-butadiene" RELATED [NIST_Chemistry_WebBook] synonym: "2-chlorobuta-1,3-diene" EXACT IUPAC_NAME [IUPAC] synonym: "2-chlorobutadiene" RELATED [ChemIDplus] synonym: "chloroprene" EXACT [ChemIDplus] xref: Beilstein:741875 {source="Beilstein"} xref: CAS:126-99-8 {source="ChemIDplus"} xref: CAS:126-99-8 {source="KEGG COMPOUND"} xref: CAS:126-99-8 {source="NIST Chemistry WebBook"} xref: Gmelin:277888 {source="Gmelin"} xref: KEGG:C19208 is_a: CHEBI:39482 ! chloroolefin relationship: has_parent_hydride CHEBI:39478 ! buta-1,3-diene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YACLQRRMGMJLJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.53520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.00798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(=C)C=C" xsd:string [Term] id: CHEBI:39482 name: chloroolefin namespace: chebi_ontology def: "A chlorohydrocarbon carrying one or more chloro groups at unspecified positions." [] subset: 3_STAR synonym: "chloroolefin" EXACT [ChEBI] is_a: CHEBI:23115 ! chlorohydrocarbon [Term] id: CHEBI:39548 name: atorvastatin namespace: chebi_ontology alt_id: CHEBI:2910 alt_id: CHEBI:39538 def: "A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases." [] subset: 3_STAR synonym: "(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid" RELATED [ChemIDplus] synonym: "7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID" RELATED [PDBeChem] synonym: "Atorlip" RELATED BRAND_NAME [ChEBI] synonym: "Atorvastatin" EXACT [KEGG_COMPOUND] synonym: "atorvastatin" RELATED INN [ChemIDplus] synonym: "atorvastatina" RELATED INN [ChEBI] synonym: "atorvastatine" RELATED INN [ChEBI] synonym: "atorvastatinum" RELATED INN [ChEBI] xref: Beilstein:8373630 {source="Beilstein"} xref: CAS:134523-00-5 {source="ChemIDplus"} xref: CAS:134523-00-5 {source="KEGG COMPOUND"} xref: Drug_Central:257 {source="DrugCentral"} xref: DrugBank:DB01076 xref: HMDB:HMDB0005006 xref: KEGG:C06834 xref: KEGG:D07474 xref: LINCS:LSM-5771 xref: Patent:EP409281 xref: Patent:US5273995 xref: PDBeChem:117 xref: PMID:11693468 {source="Europe PMC"} xref: PMID:15012735 {source="Europe PMC"} xref: PMID:18720283 {source="Europe PMC"} xref: Reaxys:8373630 {source="Reaxys"} xref: Wikipedia:Atorvastatin is_a: CHEBI:26455 ! pyrroles is_a: CHEBI:35972 ! dihydroxy monocarboxylic acid is_a: CHEBI:62733 ! aromatic amide is_a: CHEBI:83575 ! monofluorobenzenes is_a: CHEBI:87635 ! statin (synthetic) relationship: has_functional_parent CHEBI:45571 ! heptanoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:50690 ! atorvastatin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H35FN2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUKUURHRXDUEBC-KAYWLYCHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "558.63988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "558.25300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O" xsd:string [Term] id: CHEBI:39589 name: (R)-bicalutamide namespace: chebi_ontology def: "A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide." [] subset: 3_STAR synonym: "(-)-bicalutamide" RELATED [ChemIDplus] synonym: "(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(-)bicalutamide" RELATED [ChEBI] synonym: "(R)-Casodex" RELATED [ChemIDplus] xref: CAS:113299-40-4 {source="ChemIDplus"} xref: DrugBank:DB02932 xref: PDBeChem:198 xref: PMID:16847400 {source="Europe PMC"} xref: PMID:23288837 {source="Europe PMC"} xref: PMID:24397920 {source="Europe PMC"} xref: PMID:26442831 {source="Europe PMC"} xref: PMID:27848066 {source="Europe PMC"} is_a: CHEBI:144093 ! N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide relationship: has_role CHEBI:35497 ! androgen antagonist relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: is_enantiomer_of CHEBI:144094 ! (S)-bicalutamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H14F4N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKJPYSCBVHEWIU-KRWDZBQOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.06104" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC=C(C1)NC([C@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F" xsd:string [Term] id: CHEBI:3962 name: curcumin namespace: chebi_ontology def: "A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa." [] comment: LanguaL term definition: Food additive; technological purpose(s): colour. subset: 3_STAR synonym: "(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione" EXACT IUPAC_NAME [IUPAC] synonym: "C.I. 75300" RELATED [ChEBI] synonym: "C.I. Natural Yellow 3" RELATED [ChEBI] synonym: "Curcumin" EXACT [KEGG_COMPOUND] synonym: "curcumin" EXACT [UniProt] synonym: "Diferuloylmethane" RELATED [ChemIDplus] synonym: "E 100" RELATED [ChEBI] synonym: "Kacha haldi" RELATED [KEGG_COMPOUND] synonym: "Natural yellow 3" RELATED [ChemIDplus] synonym: "Turmeric yellow" RELATED [ChemIDplus] xref: CAS:458-37-7 {source="ChemIDplus"} xref: CAS:458-37-7 {source="KEGG COMPOUND"} xref: Chemspider:839564 xref: Codex:\:100(i) xref: DrugBank:DB11672 xref: Europe:\:100 xref: HMDB:HMDB0002269 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3071 xref: KEGG:C10443 xref: KNApSAcK:C00002731 xref: LINCS:LSM-43083 xref: MetaCyc:CPD-6602 xref: Patent:DE859145 xref: Patent:KR20130050834 xref: PDBeChem:CC9 xref: PMID:10923784 {source="Europe PMC"} xref: PMID:12083767 {source="Europe PMC"} xref: PMID:12450549 {source="Europe PMC"} xref: PMID:12826232 {source="Europe PMC"} xref: PMID:14561543 {source="Europe PMC"} xref: PMID:14634121 {source="Europe PMC"} xref: PMID:15129424 {source="Europe PMC"} xref: PMID:15659840 {source="Europe PMC"} xref: PMID:15753945 {source="Europe PMC"} xref: PMID:15809436 {source="Europe PMC"} xref: PMID:15842781 {source="Europe PMC"} xref: PMID:15879598 {source="Europe PMC"} xref: PMID:16276182 {source="Europe PMC"} xref: PMID:16292655 {source="Europe PMC"} xref: PMID:16413584 {source="Europe PMC"} xref: PMID:16712454 {source="Europe PMC"} xref: PMID:16972983 {source="Europe PMC"} xref: PMID:17182546 {source="Europe PMC"} xref: PMID:18815282 {source="Europe PMC"} xref: PMID:19038979 {source="Europe PMC"} xref: PMID:19204190 {source="Europe PMC"} xref: PMID:19234767 {source="Europe PMC"} xref: PMID:20057137 {source="Europe PMC"} xref: PMID:20645870 {source="Europe PMC"} xref: PMID:21466422 {source="Europe PMC"} xref: PMID:21642934 {source="Europe PMC"} xref: PMID:22044005 {source="Europe PMC"} xref: PMID:22051121 {source="Europe PMC"} xref: PMID:22118895 {source="Europe PMC"} xref: PMID:22122768 {source="Europe PMC"} xref: PMID:22211691 {source="Europe PMC"} xref: PMID:22318308 {source="Europe PMC"} xref: PMID:22753715 {source="Europe PMC"} xref: PMID:23386263 {source="Europe PMC"} xref: PMID:23574161 {source="Europe PMC"} xref: PMID:34299604 {source="Europe PMC"} xref: PMID:34473340 {source="Europe PMC"} xref: PMID:34572272 {source="Europe PMC"} xref: PMID:34572491 {source="Europe PMC"} xref: PMID:9698073 {source="Europe PMC"} xref: Reaxys:2306965 {source="Reaxys"} xref: Wikipedia:Curcumin is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:51689 ! enone is_a: CHEBI:67265 ! beta-diketone is_a: CHEBI:78802 ! diarylheptanoid is_a: FOODON:03412972 ! food additive relationship: has_functional_parent CHEBI:17620 ! ferulic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:26130 ! biological pigment relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35617 ! flavouring agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:35856 ! lipoxygenase inhibitor relationship: has_role CHEBI:37958 ! dye relationship: has_role CHEBI:38157 ! iron chelator relationship: has_role CHEBI:48550 ! EC 1.1.1.21 (aldehyde reductase) inhibitor relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:49323 ! contraceptive drug relationship: has_role CHEBI:50390 ! EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:53746 ! EC 1.1.1.205 (IMP dehydrogenase) inhibitor relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor relationship: has_role CHEBI:62868 ! hepatoprotective agent relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:64670 ! EC 1.8.1.9 (thioredoxin reductase) inhibitor relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:76617 ! EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor relationship: has_role CHEBI:77182 ! food colouring relationship: has_role CHEBI:77484 ! EC 1.1.1.25 (shikimate dehydrogenase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VFLDPWHFBUODDF-FCXRPNKRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "368.385" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.12599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC1=C(O)C=CC(\\C=C\\C(=O)CC(=O)\\C=C\\C2=CC(OC)=C(O)C=C2)=C1" xsd:string property_value: IAO:0000118 "curcumin" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39678 name: metsulfuron methyl namespace: chebi_ontology alt_id: CHEBI:6910 def: "A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group." [] subset: 3_STAR synonym: "methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "Metsulfuron methyl" EXACT [KEGG_COMPOUND] synonym: "Metsulfuron methyl ester" RELATED [ChemIDplus] synonym: "metsulfuron-methyl" RELATED [ChEBI] xref: CAS:74223-64-6 {source="ChemIDplus"} xref: CAS:74223-64-6 {source="KEGG COMPOUND"} xref: KEGG:C10946 xref: PDBeChem:1MM xref: Pesticides:metsulfuron-methyl {source="Alan Wood's Pesticides"} xref: PMID:21036398 {source="Europe PMC"} xref: PMID:23348034 {source="Europe PMC"} xref: PMID:23972318 {source="Europe PMC"} xref: PPDB:470 xref: Reaxys:587472 {source="Reaxys"} xref: Wikipedia:Metsulfuron-methyl is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:36054 ! benzoate ester is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H15N5O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RSMUVYRMZCOLBH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "381.36400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "381.07430" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1" xsd:string [Term] id: CHEBI:39745 name: dihydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29137 alt_id: CHEBI:39739 def: "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated." [] subset: 3_STAR synonym: "[PO2(OH)2](-)" RELATED [IUPAC] synonym: "dihydrogen(tetraoxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "DIHYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "dihydrogentetraoxophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PO4(-)" RELATED [IUPAC] xref: DrugBank:DB02831 xref: Gmelin:1999 {source="Gmelin"} xref: PDBeChem:2HP is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:43474 ! hydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.98724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96962" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP([O-])(=O)O[H]" xsd:string [Term] id: CHEBI:39832 name: methoxyethane namespace: chebi_ontology def: "An ether that is the methyl ether derivative of ethanol." [] subset: 3_STAR synonym: "1-methoxyethane" RELATED [NIST_Chemistry_WebBook] synonym: "Aethylmethylaether" RELATED [ChEBI] synonym: "C2H5OCH3" RELATED [NIST_Chemistry_WebBook] synonym: "Methoxyethan" RELATED [ChEBI] synonym: "METHOXYETHANE" EXACT [PDBeChem] synonym: "methoxyethane" EXACT IUPAC_NAME [IUPAC] synonym: "methyl ethyl ether" RELATED [ChemIDplus] synonym: "Methylaethylaether" RELATED [ChEBI] xref: Beilstein:1730785 {source="Beilstein"} xref: CAS:540-67-0 {source="ChemIDplus"} xref: CAS:540-67-0 {source="NIST Chemistry WebBook"} xref: Gmelin:163978 {source="Gmelin"} xref: Patent:KR20080019002 xref: PDBeChem:2ME xref: PMID:12662033 {source="Europe PMC"} xref: Reaxys:1730785 {source="Reaxys"} xref: Wikipedia:Methoxyethane is_a: CHEBI:25698 ! ether relationship: has_functional_parent CHEBI:16236 ! ethanol relationship: has_role CHEBI:39144 ! Lewis base property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOBKSJJDNFUZPF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC" xsd:string [Term] id: CHEBI:3992 name: cyclic ketone namespace: chebi_ontology subset: 3_STAR synonym: "Cyclic ketone" EXACT [KEGG_COMPOUND] synonym: "cyclic ketones" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02019 is_a: CHEBI:17087 ! ketone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:39931 name: 3-nitrotoluene namespace: chebi_ontology alt_id: CHEBI:35228 alt_id: CHEBI:39924 def: "A mononitrotoluene carrying a nitro group at position 3." [] subset: 3_STAR synonym: "1-methyl-3-nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "3-NITROTOLUENE" EXACT [PDBeChem] synonym: "3-nitrotoluene" EXACT [UniProt] synonym: "3-Nitrotoluol" RELATED [ChemIDplus] synonym: "m-methylnitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "m-nitrotoluene" RELATED [NIST_Chemistry_WebBook] synonym: "m-Nitrotoluol" RELATED [ChemIDplus] synonym: "meta-Nitrotoluol" RELATED [ChemIDplus] xref: Beilstein:1906910 {source="Beilstein"} xref: CAS:99-08-1 {source="NIST Chemistry WebBook"} xref: CAS:99-08-1 {source="ChemIDplus"} xref: CAS:99-08-1 {source="KEGG COMPOUND"} xref: Gmelin:279176 {source="Gmelin"} xref: KEGG:C19486 xref: PDBeChem:3NT xref: PMID:23212174 {source="Europe PMC"} xref: PMID:23250222 {source="Europe PMC"} xref: Reaxys:1906910 {source="Reaxys"} xref: Wikipedia:3-Nitrotoluene is_a: CHEBI:63171 ! mononitrotoluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZYHIOPPLUPUJF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.13600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(c1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:40036 name: amitrole namespace: chebi_ontology alt_id: CHEBI:1448 alt_id: CHEBI:40029 def: "A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties." [] subset: 3_STAR synonym: "1H-1,2,4-triazol-3-amine" EXACT IUPAC_NAME [IUPAC] synonym: "1H-1,2,4-triazol-3-ylamine" RELATED [ChemIDplus] synonym: "2-Amino-1,3,4-triazole" RELATED [KEGG_COMPOUND] synonym: "3-Amino-1,2,4-triazole" RELATED [KEGG_COMPOUND] synonym: "3-amino-s-triazole" RELATED [NIST_Chemistry_WebBook] synonym: "3-AT" RELATED [ChemIDplus] synonym: "Aminotriazole" RELATED [KEGG_COMPOUND] synonym: "Amitrole" EXACT [KEGG_COMPOUND] xref: Beilstein:107687 {source="Beilstein"} xref: CAS:61-82-5 {source="NIST Chemistry WebBook"} xref: CAS:61-82-5 {source="ChemIDplus"} xref: CAS:61-82-5 {source="KEGG COMPOUND"} xref: Gmelin:200706 {source="Gmelin"} xref: KEGG:C11261 xref: LINCS:LSM-4595 xref: MetaCyc:CPD0-1491 xref: Patent:AU2012202062 xref: Patent:WO2007147209 xref: PDBeChem:3TR xref: Pesticides:amitrole {source="Alan Wood's Pesticides"} xref: PMID:11673067 {source="Europe PMC"} xref: PMID:17549540 {source="Europe PMC"} xref: PMID:25820916 {source="Europe PMC"} xref: PMID:7546330 {source="Europe PMC"} xref: PMID:7986209 {source="Europe PMC"} xref: PPDB:31 xref: Reaxys:107687 {source="Reaxys"} xref: Wikipedia:Amitrole is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:35727 ! triazoles relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLSJWNVTNUYHDU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.04360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1N=C(N=C1)N" xsd:string [Term] id: CHEBI:40116 name: propyl acetate namespace: chebi_ontology def: "An acetate ester obtained by the formal condensation of acetic acid with propanol." [] subset: 3_STAR synonym: "1-acetoxypropane" RELATED [ChEBI] synonym: "n-Propyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "propyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "propyl acetate" EXACT [UniProt] synonym: "propyl ethanoate" RELATED [ChEBI] xref: CAS:109-60-4 {source="NIST Chemistry WebBook"} xref: DrugBank:DB01670 xref: HMDB:HMDB0034237 xref: Patent:WO2011071131 xref: PDBeChem:4PA xref: PMID:21535646 {source="Europe PMC"} xref: PMID:22821412 {source="Europe PMC"} xref: Wikipedia:Propyl_acetate is_a: CHEBI:47622 ! acetate ester relationship: has_functional_parent CHEBI:28831 ! propan-1-ol relationship: has_role CHEBI:48318 ! fragrance relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YKYONYBAUNKHLG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCOC(C)=O" xsd:string [Term] id: CHEBI:40235 name: 9H-purine-2,6-diamine namespace: chebi_ontology def: "A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups." [] subset: 3_STAR synonym: "2,6-DIAMINOPURINE" RELATED [PDBeChem] synonym: "2,6-diaminopurine" RELATED [ChEBI] synonym: "2-aminoadenine" RELATED [ChemIDplus] synonym: "9H-PURINE-2,6-DIAMINE" EXACT [PDBeChem] synonym: "9H-purine-2,6-diamine" EXACT [PDBeChem] xref: CAS:1904-98-9 {source="ChemIDplus"} xref: MetaCyc:CPD0-2060 xref: PDBeChem:6AP xref: PMID:26190672 {source="Europe PMC"} xref: PMID:413053 {source="Europe PMC"} xref: PMID:676082 {source="Europe PMC"} xref: PMID:8832386 {source="Europe PMC"} xref: Reaxys:745238 {source="Reaxys"} xref: Wikipedia:2\,6-Diaminopurine is_a: CHEBI:38001 ! 2,6-diaminopurines is_a: CHEBI:50994 ! primary amino compound relationship: has_functional_parent CHEBI:16708 ! adenine relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6N6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MSSXOMSJDRHRMC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.14130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.06539" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc(N)c2nc[nH]c2n1" xsd:string [Term] id: CHEBI:40237 name: sitagliptin namespace: chebi_ontology def: "A triazolopyrazine that exhibits hypoglycemic activity." [] subset: 3_STAR synonym: "(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE" RELATED [PDBeChem] synonym: "(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "MK-0431" RELATED [DrugBank] synonym: "sitagliptin" RELATED INN [WHO_MedNet] synonym: "sitagliptina" RELATED INN [WHO_MedNet] synonym: "sitagliptine" RELATED INN [WHO_MedNet] synonym: "sitagliptinum" RELATED INN [WHO_MedNet] xref: Beilstein:9962060 {source="Beilstein"} xref: CAS:486460-32-6 {source="ChemIDplus"} xref: Drug_Central:2448 {source="DrugCentral"} xref: DrugBank:DB01261 xref: HMDB:HMDB0015390 xref: KEGG:D08516 xref: LINCS:LSM-5363 xref: PDBeChem:715 xref: PMID:23286208 {source="Europe PMC"} xref: PMID:23331339 {source="Europe PMC"} xref: PMID:23432786 {source="Europe PMC"} xref: PMID:23489256 {source="Europe PMC"} xref: PMID:23927568 {source="Europe PMC"} xref: PMID:24039399 {source="Europe PMC"} xref: PMID:24041927 {source="Europe PMC"} xref: Reaxys:9962060 {source="Reaxys"} xref: Wikipedia:Sitagliptin is_a: CHEBI:48277 ! triazolopyrazine is_a: CHEBI:83576 ! trifluorobenzene relationship: has_role CHEBI:35526 ! hypoglycemic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48353 ! serine proteinase inhibitor relationship: has_role CHEBI:68612 ! EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H15F6N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFFMDFFZMYYVKS-SECBINFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "407.31382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "407.11808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F" xsd:string [Term] id: CHEBI:4027 name: cyclophosphamide namespace: chebi_ontology def: "A phosphorodiamide that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by two 2-chloroethyl groups at the amino nitrogen atom." [] subset: 3_STAR synonym: "(+-)-Cyclophosphamide" RELATED [ChemIDplus] synonym: "(RS)-Cyclophosphamide" RELATED [ChemIDplus] synonym: "2-[Bis(2-chloroethylamino)]-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide" RELATED [NIST_Chemistry_WebBook] synonym: "Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester" RELATED [ChemIDplus] synonym: "Cyclophosphamide anhydrous" RELATED [KEGG_COMPOUND] synonym: "N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide" EXACT IUPAC_NAME [IUPAC] synonym: "N,N-bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide" RELATED [IUPAC] xref: Beilstein:11744 {source="Beilstein"} xref: CAS:50-18-0 {source="NIST Chemistry WebBook"} xref: CAS:50-18-0 {source="ChemIDplus"} xref: CAS:50-18-0 {source="KEGG COMPOUND"} xref: Drug_Central:758 {source="DrugCentral"} xref: DrugBank:DB00531 xref: HMDB:HMDB0014672 xref: KEGG:C07888 xref: KEGG:D07760 xref: LINCS:LSM-4961 xref: PMID:15711186 {source="Europe PMC"} xref: PMID:7850793 {source="Europe PMC"} xref: Reaxys:11744 {source="Reaxys"} xref: Wikipedia:Cyclophosphamide is_a: CHEBI:35467 ! phosphorodiamide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37598 ! nitrogen mustard relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:35842 ! antirheumatic drug relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H15Cl2N2O2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CMSMOCZEIVJLDB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.08544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.02482" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCN(CCCl)P1(=O)NCCCO1" xsd:string [Term] id: CHEBI:40303 name: lovastatin namespace: chebi_ontology alt_id: CHEBI:40299 alt_id: CHEBI:6544 def: "A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom)." [] subset: 3_STAR synonym: "(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate" RELATED [ChemIDplus] synonym: "(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone" RELATED [ChemIDplus] synonym: "6alpha-methylcompactin" RELATED [ChemIDplus] synonym: "LOVASTATIN" EXACT [PDBeChem] synonym: "Lovastatin" EXACT [KEGG_COMPOUND] synonym: "lovastatin" EXACT [UniProt] synonym: "Mevacor" RELATED BRAND_NAME [ChemIDplus] synonym: "Mevinolin" RELATED [ChemIDplus] synonym: "MK-803" RELATED [KEGG_DRUG] synonym: "ML-530B" RELATED [KEGG_DRUG] xref: Beilstein:3631989 {source="ChemIDplus"} xref: CAS:75330-75-5 {source="KEGG DRUG"} xref: CAS:75330-75-5 {source="ChemIDplus"} xref: Drug_Central:1612 {source="DrugCentral"} xref: DrugBank:DB00227 xref: HMDB:HMDB0014372 xref: KEGG:C07074 xref: KEGG:D00359 xref: KNApSAcK:C00000547 xref: LINCS:LSM-2189 xref: Patent:CN103172602 xref: Patent:WO2013090461 xref: PDBeChem:803 xref: PMID:11375168 {source="Europe PMC"} xref: PMID:11389707 {source="Europe PMC"} xref: PMID:11483865 {source="Europe PMC"} xref: PMID:18642339 {source="Europe PMC"} xref: PMID:24093797 {source="Europe PMC"} xref: PMID:7720768 {source="Europe PMC"} xref: Reaxys:4720754 {source="Reaxys"} xref: Wikipedia:Lovastatin is_a: CHEBI:142348 ! hexahydronaphthalenes is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:26188 ! polyketide is_a: CHEBI:35748 ! fatty acid ester is_a: CHEBI:87632 ! statin (naturally occurring) relationship: has_functional_parent CHEBI:34848 ! mevastatin relationship: has_functional_parent CHEBI:38655 ! (S)-2-methylbutyric acid relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:76956 ! Aspergillus metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H36O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PCZOHLXUXFIOCF-BXMDZJJMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "404.53964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "404.25627" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC" xsd:string [Term] id: CHEBI:4034 name: cyfluthrin namespace: chebi_ontology def: "A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile." [] subset: 3_STAR synonym: "(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate" RELATED [ChemIDplus] synonym: "cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Cyfluthrin" EXACT [KEGG_COMPOUND] xref: Beilstein:2788149 {source="Beilstein"} xref: CAS:68359-37-5 {source="ChemIDplus"} xref: CAS:68359-37-5 {source="KEGG COMPOUND"} xref: Drug_Central:4407 {source="DrugCentral"} xref: KEGG:C10982 xref: KEGG:D07761 xref: Patent:DE2709264 xref: Patent:US4218469 xref: Patent:US4287208 xref: PMID:17912691 {source="Europe PMC"} xref: PMID:18383791 {source="Europe PMC"} xref: PPDB:192 xref: Reaxys:2788149 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:39308 ! 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H18Cl2FNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QQODLKZGRKWIFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.28706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "433.06478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1" xsd:string [Term] id: CHEBI:4035 name: cyhalothrin namespace: chebi_ontology def: "A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol." [] subset: 3_STAR synonym: "3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester" RELATED [ChemIDplus] synonym: "cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Cyhalothrin" EXACT [KEGG_COMPOUND] xref: CAS:68085-85-8 {source="ChemIDplus"} xref: CAS:68085-85-8 {source="KEGG COMPOUND"} xref: KEGG:C10983 xref: KEGG:D07762 xref: Patent:DE2802962 xref: Patent:US4183948 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:39319 ! 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H19ClF3NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXQYGBMAQZUVMI-UNOMPAQXSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "449.84981" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "449.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C(\\C=C(/Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1" xsd:string [Term] id: CHEBI:4045 name: cyprodinil namespace: chebi_ontology def: "A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees." [] subset: 3_STAR synonym: "2-Anilino-4-cyclopropyl-6-methylpyrimidine" RELATED [HMDB] synonym: "4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine" RELATED [HMDB] synonym: "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "HSDB 7019" RELATED [ChemIDplus] xref: AGR:IND21380293 {source="Europe PMC"} xref: CAS:121552-61-2 {source="ChemIDplus"} xref: CAS:121552-61-2 {source="NIST Chemistry WebBook"} xref: CAS:121552-61-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034853 xref: KEGG:C10914 xref: Patent:EP1023838 xref: Patent:US2011021580 xref: Pesticides:cyprodinil {source="Alan Wood's Pesticides"} xref: PMID:23073993 {source="Europe PMC"} xref: PMID:23228475 {source="Europe PMC"} xref: PMID:23436777 {source="Europe PMC"} xref: PMID:23799251 {source="Europe PMC"} xref: PMID:24598029 {source="Europe PMC"} xref: PMID:24746069 {source="Europe PMC"} xref: PMID:24809493 {source="Europe PMC"} xref: PMID:24901957 {source="Europe PMC"} xref: PPDB:199 xref: Reaxys:7813601 {source="Reaxys"} is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:87208 ! anilinopyrimidine fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H15N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAORKNGNJCEJBX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.12660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(nc(Nc2ccccc2)n1)C1CC1" xsd:string [Term] id: CHEBI:405237 name: L-canavanine zwitterion namespace: chebi_ontology def: "L-Canavanine in zwitterionic form." [] subset: 3_STAR synonym: "(2S)-2-ammonio-4-(carbamimidamidooxy)butanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumyl-4-(carbamimidamidooxy)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-Canavanine" RELATED [ChEMBL] xref: MetaCyc:CANAVANINE is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_base_of CHEBI:78902 ! L-canavanine(1+) relationship: is_tautomer_of CHEBI:609827 ! L-canavanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSBIGDSBMBYOPN-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.17380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.09094" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NOCC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:40909 name: azoxystrobin namespace: chebi_ontology def: "An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture." [] subset: 3_STAR synonym: "(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester" RELATED [ChEBI] synonym: "methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate" RELATED [ChEBI] xref: Beilstein:8350244 {source="Beilstein"} xref: CAS:131860-33-8 {source="KEGG COMPOUND"} xref: CAS:131860-33-8 {source="ChemIDplus"} xref: KEGG:C18558 xref: Patent:EP382375 xref: Patent:US5395837 xref: PDBeChem:AZO xref: Pesticides:azoxystrobin {source="Alan Wood's Pesticides"} xref: PMID:20818521 {source="Europe PMC"} xref: PMID:21153804 {source="Europe PMC"} xref: PMID:21671616 {source="Europe PMC"} xref: PMID:21777591 {source="Europe PMC"} xref: PMID:21884765 {source="Europe PMC"} xref: PMID:22092932 {source="Europe PMC"} xref: PMID:22224459 {source="Europe PMC"} xref: PMID:22278367 {source="Europe PMC"} xref: PMID:24125711 {source="Europe PMC"} xref: PMID:24405376 {source="Europe PMC"} xref: PMID:24700092 {source="Europe PMC"} xref: PMID:24726979 {source="Europe PMC"} xref: PMID:25011117 {source="Europe PMC"} xref: PMID:25090100 {source="Europe PMC"} xref: PMID:25196149 {source="Europe PMC"} xref: PPDB:54 xref: Reaxys:8350244 {source="Reaxys"} xref: Wikipedia:Azoxystrobin is_a: CHEBI:18379 ! nitrile is_a: CHEBI:47985 ! enol ether is_a: CHEBI:48535 ! aryloxypyrimidine is_a: CHEBI:86484 ! methoxyacrylate strobilurin antifungal agent relationship: has_role CHEBI:141153 ! quinone outside inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H17N3O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFDXOXNFNRHQEC-GHRIWEEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "403.38750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.11682" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CO\\C=C(\\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1" xsd:string [Term] id: CHEBI:40910 name: azide anion namespace: chebi_ontology alt_id: CHEBI:22679 alt_id: CHEBI:40904 subset: 3_STAR synonym: "azide" EXACT IUPAC_NAME [IUPAC] synonym: "azide" RELATED [ChEBI] synonym: "AZIDE ION" RELATED [PDBeChem] synonym: "N3(-)" RELATED [IUPAC] synonym: "trinitride(1-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14343-69-2 {source="NIST Chemistry WebBook"} xref: Gmelin:24977 {source="Gmelin"} xref: PDBeChem:AZI is_a: CHEBI:36828 ! pseudohalide anion relationship: has_role CHEBI:25355 ! mitochondrial respiratory-chain inhibitor relationship: is_conjugate_base_of CHEBI:29449 ! hydrogen azide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N3/c1-3-2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IVRMZWNICZWHMI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.02022" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.00977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N-]=[N+]=[N-]" xsd:string [Term] id: CHEBI:41039 name: benfotiamine namespace: chebi_ontology alt_id: CHEBI:31259 def: "A thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation." [] subset: 3_STAR synonym: "benfotiamina" RELATED INN [ChemIDplus] synonym: "benfotiamine" RELATED INN [KEGG_DRUG] synonym: "benfotiamine" RELATED INN [WHO_MedNet] synonym: "benfotiaminum" RELATED INN [ChemIDplus] synonym: "Benphothiamine" RELATED [ChemIDplus] synonym: "Benzoylthiamine monophosphate" RELATED [ChemIDplus] synonym: "Benzoylthiamine O-monophosphate" RELATED [ChemIDplus] synonym: "N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate" RELATED [ChemIDplus] synonym: "S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate" EXACT IUPAC_NAME [IUPAC] synonym: "S-Benzoylthiamine monophosphate" RELATED [ChemIDplus] synonym: "S-Benzoylthiamine O-monophosphate" RELATED [ChemIDplus] xref: CAS:22457-89-2 {source="ChemIDplus"} xref: KEGG:D01255 xref: LINCS:LSM-5213 xref: Patent:US2006045896 xref: PDBeChem:BFT xref: PMID:21288652 {source="Europe PMC"} xref: PMID:21511829 {source="Europe PMC"} xref: PMID:21984258 {source="Europe PMC"} xref: PMID:22067901 {source="Europe PMC"} xref: PMID:22271422 {source="Europe PMC"} xref: PMID:22402947 {source="Europe PMC"} xref: PMID:22446172 {source="Europe PMC"} xref: PMID:22527094 {source="Europe PMC"} xref: PMID:22792314 {source="Europe PMC"} xref: PMID:22961478 {source="Europe PMC"} xref: PMID:22982063 {source="Europe PMC"} xref: PMID:22997160 {source="Europe PMC"} xref: PMID:23066179 {source="Europe PMC"} xref: PMID:23091724 {source="Europe PMC"} xref: PMID:23119057 {source="Europe PMC"} xref: PMID:23278494 {source="Europe PMC"} xref: PMID:23279611 {source="Europe PMC"} xref: PMID:23292796 {source="Europe PMC"} xref: PMID:23369791 {source="Europe PMC"} xref: Reaxys:771326 {source="Reaxys"} xref: Wikipedia:Benfotiamine is_a: CHEBI:24079 ! formamides is_a: CHEBI:25703 ! organic phosphate is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:51277 ! thioester relationship: has_functional_parent CHEBI:18385 ! thiamine(1+) relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:50267 ! protective agent relationship: has_role CHEBI:50733 ! nutraceutical relationship: has_role CHEBI:50847 ! immunological adjuvant relationship: has_role CHEBI:72470 ! provitamin B1 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H23N4O6PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTNNPSLJPBRMLZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "466.44800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "466.10759" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:41218 name: mercaptoethanol namespace: chebi_ontology alt_id: CHEBI:41215 alt_id: CHEBI:6766 subset: 3_STAR synonym: "2-Mercaptoethanol" RELATED [KEGG_COMPOUND] synonym: "2-sulfanylethanol" EXACT IUPAC_NAME [IUPAC] synonym: "BETA-MERCAPTOETHANOL" RELATED [PDBeChem] synonym: "beta-mercaptoethanol" RELATED [ChEBI] synonym: "Mercaptoethanol" EXACT [KEGG_COMPOUND] synonym: "Thioglycol" RELATED [KEGG_COMPOUND] xref: Beilstein:773648 {source="Beilstein"} xref: CAS:60-24-2 {source="KEGG COMPOUND"} xref: CAS:60-24-2 {source="ChemIDplus"} xref: CAS:60-24-2 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03345 xref: Gmelin:1368 {source="Gmelin"} xref: KEGG:C00928 xref: PDBeChem:BME xref: PMID:6334792 {source="Europe PMC"} is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:47908 ! alkanethiol relationship: has_role CHEBI:176497 ! geroprotector property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DGVVWUTYPXICAM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.01394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCS" xsd:string [Term] id: CHEBI:41275 name: 1H-benzimidazole namespace: chebi_ontology alt_id: CHEBI:3028 alt_id: CHEBI:41272 def: "The 1H-tautomer of benzimidazole." [] subset: 3_STAR synonym: "1,3-benzodiazole" RELATED [ChemIDplus] synonym: "1,3-diazaindene" RELATED [ChemIDplus] synonym: "1H-benzimidazole" EXACT IUPAC_NAME [IUPAC] synonym: "azindole" RELATED [ChemIDplus] synonym: "BENZIMIDAZOLE" RELATED [PDBeChem] synonym: "Benzimidazole" RELATED [KEGG_COMPOUND] synonym: "benzimidazole" RELATED [IUPAC] synonym: "benzoglyoxaline" RELATED [ChemIDplus] synonym: "Hbim" RELATED [IUPAC] synonym: "Hbzim" RELATED [IUPAC] synonym: "o-benzimidazole" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:109682 {source="Beilstein"} xref: CAS:51-17-2 {source="NIST Chemistry WebBook"} xref: CAS:51-17-2 {source="ChemIDplus"} xref: CAS:51-17-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02962 xref: Gmelin:3106 {source="Gmelin"} xref: KEGG:C02009 xref: MetaCyc:BENZIMIDAZOLE xref: PDBeChem:BZI xref: PMID:24152176 {source="Europe PMC"} xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:109682 {source="Reaxys"} xref: Wikipedia:Benzimidazole is_a: CHEBI:36622 ! benzimidazole is_a: CHEBI:38180 ! polycyclic heteroarene relationship: is_conjugate_acid_of CHEBI:33173 ! benzimidazolide relationship: is_tautomer_of CHEBI:36623 ! 4H-benzimidazole relationship: is_tautomer_of CHEBI:36639 ! 2H-benzimidazole relationship: is_tautomer_of CHEBI:36641 ! 3aH-benzimidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYZJCKYKOHLVJF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.13602" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2[nH]cnc2c1" xsd:string [Term] id: CHEBI:41308 name: benzophenone namespace: chebi_ontology alt_id: CHEBI:3034 alt_id: CHEBI:41306 def: "The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups." [] subset: 3_STAR synonym: "alpha-oxodiphenylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-oxoditane" RELATED [NIST_Chemistry_WebBook] synonym: "Benzophenone" EXACT [KEGG_COMPOUND] synonym: "benzophenone" EXACT IUPAC_NAME [IUPAC] synonym: "benzophenone" EXACT [UniProt] synonym: "benzoylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "Diphenyl ketone" RELATED [KEGG_COMPOUND] synonym: "DIPHENYLMETHANONE" RELATED [PDBeChem] synonym: "diphenylmethanone" EXACT IUPAC_NAME [IUPAC] synonym: "Ph2CO" RELATED [ChEBI] xref: Beilstein:1238185 {source="Beilstein"} xref: CAS:119-61-9 {source="KEGG COMPOUND"} xref: CAS:119-61-9 {source="NIST Chemistry WebBook"} xref: CAS:119-61-9 {source="ChemIDplus"} xref: Chemspider:2991 xref: DrugBank:DB01878 xref: Gmelin:4256 {source="Gmelin"} xref: HMDB:HMDB0032049 xref: KEGG:C06354 xref: PDBeChem:BZQ xref: PMID:10728861 {source="Europe PMC"} xref: PMID:10864504 {source="Europe PMC"} xref: PMID:10877357 {source="Europe PMC"} xref: PMID:14673848 {source="Europe PMC"} xref: PMID:15373829 {source="Europe PMC"} xref: PMID:15672204 {source="Europe PMC"} xref: PMID:16212356 {source="Europe PMC"} xref: PMID:16820853 {source="Europe PMC"} xref: PMID:16853025 {source="Europe PMC"} xref: PMID:16999485 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17955805 {source="Europe PMC"} xref: PMID:19388040 {source="Europe PMC"} xref: PMID:19655709 {source="Europe PMC"} xref: PMID:19939518 {source="Europe PMC"} xref: PMID:20534002 {source="Europe PMC"} xref: PMID:21238557 {source="Europe PMC"} xref: PMID:21277784 {source="Europe PMC"} xref: PMID:21919502 {source="Europe PMC"} xref: PMID:23963450 {source="Europe PMC"} xref: PMID:24226914 {source="Europe PMC"} xref: PMID:25788150 {source="Europe PMC"} xref: PMID:26254646 {source="Europe PMC"} xref: PMID:26282042 {source="Europe PMC"} xref: PMID:30720459 {source="Europe PMC"} xref: PMID:32736220 {source="Europe PMC"} xref: PMID:33682414 {source="Europe PMC"} xref: Reaxys:1238185 {source="Reaxys"} xref: Wikipedia:Benzophenone is_a: CHEBI:22726 ! benzophenones relationship: has_role CHEBI:47868 ! photosensitizing agent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWCCWEUUXYIKHB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:41320 name: 1,3-diphenylurea namespace: chebi_ontology def: "A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera)." [] subset: 3_STAR synonym: "1,3-diphenylcarbamide" RELATED [ChemIDplus] synonym: "1,3-DIPHENYLUREA" EXACT [PDBeChem] synonym: "1,3-diphenylurea" EXACT IUPAC_NAME [IUPAC] synonym: "carbanilide" RELATED [ChemIDplus] synonym: "diphenylcarbamide" RELATED [ChemIDplus] synonym: "diphenylurea" RELATED [ChemIDplus] synonym: "N,N'-diphenylurea" RELATED [NIST_Chemistry_WebBook] synonym: "N-phenyl-N'-phenylurea" RELATED [NIST_Chemistry_WebBook] synonym: "s-diphenylurea" RELATED [ChemIDplus] synonym: "sym-diphenylurea" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:782650 {source="Beilstein"} xref: CAS:102-07-8 {source="ChemIDplus"} xref: CAS:102-07-8 {source="NIST Chemistry WebBook"} xref: DrugBank:DB07496 xref: Gmelin:143821 {source="Gmelin"} xref: HMDB:HMDB0032066 xref: Patent:US2010273876 xref: PDBeChem:BSU xref: PMID:20727675 {source="Europe PMC"} xref: PMID:7498450 {source="Europe PMC"} xref: Reaxys:782650 {source="Reaxys"} is_a: CHEBI:134043 ! phenylureas relationship: has_role CHEBI:23530 ! cytokinin relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWEHVDNNLFDJLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(NC1=CC=CC=C1)(NC2=CC=CC=C2)=O" xsd:string [Term] id: CHEBI:41550 name: fluoroform namespace: chebi_ontology alt_id: CHEBI:24073 alt_id: CHEBI:41543 subset: 3_STAR synonym: "carbon trifluoride" RELATED [UM-BBD] synonym: "CHF3" RELATED [IUPAC] synonym: "fluoroform" EXACT IUPAC_NAME [IUPAC] synonym: "Freon 23" RELATED [ChemIDplus] synonym: "Freon F-23" RELATED [NIST_Chemistry_WebBook] synonym: "methyl trifluoride" RELATED [NIST_Chemistry_WebBook] synonym: "TRIFLUOROMETHANE" RELATED [PDBeChem] xref: Beilstein:1731035 {source="Beilstein"} xref: CAS:75-46-7 {source="NIST Chemistry WebBook"} xref: CAS:75-46-7 {source="ChemIDplus"} xref: Gmelin:1543 {source="Gmelin"} xref: PDBeChem:CFT xref: UM-BBD_compID:c0802 {source="UM-BBD"} is_a: CHEBI:39281 ! fluoromethanes relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHF3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHF3/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPDWGBQVDMORPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "70.01385" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "70.00303" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(F)(F)F" xsd:string [Term] id: CHEBI:41607 name: crotonaldehyde namespace: chebi_ontology def: "An enal consisting of propene having a formyl group at the 1-position." [] subset: 3_STAR synonym: "(2E)-BUT-2-ENAL" RELATED [PDBeChem] synonym: "(2E)-but-2-enal" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-crotonaldehyde" RELATED [ChEBI] synonym: "1-formylpropene" RELATED [ChemIDplus] synonym: "2-Butenal" RELATED [KEGG_COMPOUND] synonym: "aldehyde crotonique" RELATED [ChemIDplus] synonym: "beta-methylacrolein" RELATED [ChemIDplus] synonym: "crotonal" RELATED [ChemIDplus] synonym: "crotonic aldehyde" RELATED [ChemIDplus] synonym: "crotylaldehyde" RELATED [ChemIDplus] synonym: "methylpropenal" RELATED [ChemIDplus] synonym: "propylene aldehyde" RELATED [ChemIDplus] synonym: "trans-2-butenal" RELATED [ChemIDplus] synonym: "trans-2-butenaldehyde" RELATED [ChemIDplus] synonym: "trans-but-2-enal" RELATED [ChEBI] synonym: "trans-crotonaldehyde" RELATED [ChEBI] xref: CAS:123-73-9 {source="ChemIDplus"} xref: CAS:4170-30-3 {source="KEGG COMPOUND"} xref: KEGG:C19377 xref: PDBeChem:CRD xref: PMID:20153411 {source="Europe PMC"} xref: PMID:20672270 {source="Europe PMC"} xref: PMID:20736172 {source="Europe PMC"} xref: PMID:21238556 {source="Europe PMC"} xref: PMID:21306579 {source="Europe PMC"} xref: Reaxys:1209254 {source="Reaxys"} is_a: CHEBI:51688 ! enal property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MLUCVPSAIODCQM-NSCUHMNNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "70.08980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "70.04186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)\\C=C\\C" xsd:string [Term] id: CHEBI:41609 name: carbonate namespace: chebi_ontology alt_id: CHEBI:29201 alt_id: CHEBI:41605 subset: 3_STAR synonym: "[CO3](2-)" RELATED [IUPAC] synonym: "carbonate" EXACT [IUPAC] synonym: "CARBONATE ION" RELATED [PDBeChem] synonym: "CO3(2-)" RELATED [ChEBI] synonym: "Karbonat" RELATED [ChEBI] synonym: "trioxidocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3600898 {source="Beilstein"} xref: CAS:3812-32-6 {source="ChemIDplus"} xref: Gmelin:1559 {source="Gmelin"} xref: PDBeChem:CO3 is_a: CHEBI:35604 ! carbon oxoanion relationship: is_conjugate_base_of CHEBI:17544 ! hydrogencarbonate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.00890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.98584" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([O-])=O" xsd:string [Term] id: CHEBI:4167 name: D-glucopyranose namespace: chebi_ontology def: "A glucopyranose having D-configuration." [] subset: 3_STAR synonym: "D-Glc" RELATED [ChEBI] synonym: "D-Glcp" RELATED [ChEBI] synonym: "D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glucose" RELATED [KEGG_COMPOUND] synonym: "D-glucose" RELATED [UniProt] synonym: "Dextrose" RELATED [KEGG_COMPOUND] synonym: "Glc-OH" RELATED [ChEBI] synonym: "Glucose" RELATED [KEGG_COMPOUND] synonym: "glucose" RELATED [ChEBI] synonym: "Grape sugar" RELATED [KEGG_COMPOUND] synonym: "WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/" RELATED [GlyTouCan] xref: Beilstein:1281604 {source="Beilstein"} xref: CAS:2280-44-6 {source="ChemIDplus"} xref: GlyGen:G15021LG xref: GlyTouCan:G15021LG xref: Gmelin:83256 {source="Gmelin"} xref: HMDB:HMDB0000122 xref: KEGG:C00031 xref: KEGG:D00009 xref: KNApSAcK:C00001122 xref: MetaCyc:D-Glucose xref: PMID:15987845 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17928662 {source="Europe PMC"} xref: PMID:19913595 {source="Europe PMC"} xref: PMID:26812026 {source="Europe PMC"} xref: PMID:32619908 {source="Europe PMC"} xref: PMID:7524207 {source="Europe PMC"} xref: PMID:9140037 {source="Europe PMC"} xref: PMID:9501190 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} xref: PMID:9545565 {source="Europe PMC"} xref: Reaxys:1281604 {source="Reaxys"} xref: Wikipedia:Glucose is_a: CHEBI:17634 ! D-glucose is_a: CHEBI:37661 ! glucopyranose relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQZGKKKJIJFFOK-GASJEMHNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:41808 name: decane namespace: chebi_ontology alt_id: CHEBI:32894 alt_id: CHEBI:41801 def: "A straight-chain alkane with 10 carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]8-CH3" RELATED [IUPAC] synonym: "DECANE" EXACT [PDBeChem] synonym: "decane" EXACT IUPAC_NAME [IUPAC] synonym: "Dekan" RELATED [ChEBI] synonym: "n-decane" RELATED [NIST_Chemistry_WebBook] synonym: "n-Dekan" RELATED [ChEBI] xref: Beilstein:1696981 {source="ChemIDplus"} xref: CAS:124-18-5 {source="NIST Chemistry WebBook"} xref: CAS:124-18-5 {source="ChemIDplus"} xref: DrugBank:DB02826 xref: Gmelin:67816 {source="Gmelin"} xref: HMDB:HMDB0031450 xref: LIPID_MAPS_instance:LMFA11000568 {source="LIPID MAPS"} xref: MetaCyc:CPD-9287 xref: PDBeChem:D10 xref: PMID:11762597 {source="Europe PMC"} xref: Reaxys:1696981 {source="Reaxys"} xref: Wikipedia:Decane is_a: CHEBI:18310 ! alkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H22" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIOQZVSQGTUSAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.28168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.17215" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCC" xsd:string [Term] id: CHEBI:41879 name: dexamethasone namespace: chebi_ontology alt_id: CHEBI:41873 alt_id: CHEBI:4461 def: "A fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of glucocorticoids." [] subset: 3_STAR synonym: "(11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione" RELATED [ChemIDplus] synonym: "1-dehydro-16alpha-methyl-9alpha-fluorohydrocortisone" RELATED [NIST_Chemistry_WebBook] synonym: "16alpha-methyl-9alpha-fluoro-1-dehydrocortisol" RELATED [NIST_Chemistry_WebBook] synonym: "9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "9alpha-fluoro-16alpha-methylprednisolone" RELATED [NIST_Chemistry_WebBook] synonym: "Aeroseb-Dex" RELATED BRAND_NAME [ChemIDplus] synonym: "Auxiron" RELATED BRAND_NAME [ChemIDplus] synonym: "Azium" RELATED BRAND_NAME [ChemIDplus] synonym: "Calonat" RELATED BRAND_NAME [ChemIDplus] synonym: "Corson" RELATED BRAND_NAME [ChEBI] synonym: "Cortisumman" RELATED BRAND_NAME [ChemIDplus] synonym: "Decacort" RELATED BRAND_NAME [ChEBI] synonym: "Decadron" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Decaject" RELATED BRAND_NAME [ChemIDplus] synonym: "Decalix" RELATED BRAND_NAME [ChemIDplus] synonym: "Decameth" RELATED BRAND_NAME [ChemIDplus] synonym: "Dexacortal" RELATED BRAND_NAME [ChemIDplus] synonym: "Dexacortin" RELATED BRAND_NAME [ChemIDplus] synonym: "dexametasona" RELATED INN [WHO_MedNet] synonym: "Dexamethasone" EXACT [KEGG_DRUG] synonym: "dexamethasone" EXACT [UniProt] synonym: "dexamethasone" RELATED INN [WHO_MedNet] synonym: "dexamethasonum" RELATED INN [WHO_MedNet] synonym: "Dexason" RELATED BRAND_NAME [ChemIDplus] synonym: "Dexasone" RELATED BRAND_NAME [ChemIDplus] synonym: "DexPak" RELATED BRAND_NAME [ChemIDplus] synonym: "Diodex" RELATED BRAND_NAME [ChEBI] synonym: "fluormethylprednisolone" RELATED [VSDB] synonym: "Hexadrol" RELATED BRAND_NAME [ChemIDplus] synonym: "Maxidex" RELATED BRAND_NAME [ChemIDplus] synonym: "Millicorten" RELATED BRAND_NAME [ChemIDplus] synonym: "Oradexon" RELATED BRAND_NAME [ChemIDplus] synonym: "Ozurdex" RELATED BRAND_NAME [ChEBI] synonym: "Solurex" RELATED BRAND_NAME [ChEBI] synonym: "Zema-Pak" RELATED BRAND_NAME [ChEBI] xref: Beilstein:2066652 {source="Beilstein"} xref: CAS:50-02-2 {source="ChemIDplus"} xref: CAS:50-02-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:824 {source="DrugCentral"} xref: DrugBank:DB01234 xref: FooDB:FDB001355 xref: HMDB:HMDB0015364 xref: KEGG:C15643 xref: KEGG:D00292 xref: MetaCyc:CPD-10549 xref: Patent:DE1113690 xref: Patent:GB869511 xref: Patent:US3007923 xref: PMID:11508649 {source="Europe PMC"} xref: PMID:12151000 {source="Europe PMC"} xref: PMID:12686538 {source="Europe PMC"} xref: PMID:18272184 {source="Europe PMC"} xref: PMID:18524938 {source="Europe PMC"} xref: PMID:19779450 {source="Europe PMC"} xref: PMID:20850457 {source="Europe PMC"} xref: PMID:26602186 {source="Europe PMC"} xref: PMID:29958267 {source="Europe PMC"} xref: PMID:31391291 {source="Europe PMC"} xref: PMID:32195984 {source="Europe PMC"} xref: PMID:32280693 {source="Europe PMC"} xref: PMID:32496907 {source="Europe PMC"} xref: PMID:32551464 {source="Europe PMC"} xref: PMID:32570995 {source="Europe PMC"} xref: Reaxys:2066652 {source="Reaxys"} xref: VSDB:1769 xref: Wikipedia:Dexamethasone is_a: CHEBI:24261 ! glucocorticoid is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:50830 ! fluorinated steroid is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid relationship: has_parent_hydride CHEBI:8386 ! pregnane relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:37962 ! adrenergic agent relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H29FO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UREBDLICKHMUKA-CXSFZGCWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "392.467" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "392.19990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3O)([C@]([C@@H](C4)C)(C(CO)=O)O)C)[H])[H])F)C)=O" xsd:string [Term] id: CHEBI:41899 name: decylamine-N,N-dimethyl-N-oxide namespace: chebi_ontology def: "A tertiary amine oxide that is the N-oxide of N,N-dimethyldecan-1-amine." [] subset: 3_STAR synonym: "Capric dimethyl amine oxide" RELATED [ChemIDplus] synonym: "Decyl dimethyl amine oxide" RELATED [ChemIDplus] synonym: "decyl(dimethyl)amine oxide" EXACT IUPAC_NAME [IUPAC] synonym: "Decylamine oxide" RELATED [ChemIDplus] synonym: "N,N-Dimethyl-1-decanamine-N-oxide" RELATED [ChemIDplus] synonym: "N,N-dimethyldecylamine N-oxide" RELATED [ChEBI] xref: CAS:2605-79-0 {source="ChemIDplus"} xref: PDBeChem:DDQ xref: PMID:15896049 {source="Europe PMC"} xref: Reaxys:2352550 {source="Reaxys"} is_a: CHEBI:134363 ! tertiary amine oxide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRKZFNZPJKEWPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.349" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.20926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+](C)([O-])C)CCCCCCCCC" xsd:string [Term] id: CHEBI:41921 name: 1H-indene namespace: chebi_ontology alt_id: CHEBI:33051 alt_id: CHEBI:41918 def: "An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings." [] subset: 3_STAR synonym: "1H-indene" EXACT IUPAC_NAME [IUPAC] synonym: "Inden" RELATED [ChemIDplus] synonym: "INDENE" RELATED [PDBeChem] synonym: "indene" RELATED [NIST_Chemistry_WebBook] synonym: "indonaphthene" RELATED [ChemIDplus] xref: Beilstein:635873 {source="Beilstein"} xref: CAS:95-13-6 {source="NIST Chemistry WebBook"} xref: CAS:95-13-6 {source="ChemIDplus"} xref: DrugBank:DB02815 xref: Gmelin:27265 {source="Gmelin"} xref: PDBeChem:DEN xref: PMID:24217495 {source="Europe PMC"} xref: PMID:24804069 {source="Europe PMC"} xref: Reaxys:635873 {source="Reaxys"} xref: Wikipedia:Indene is_a: CHEBI:35426 ! ortho-fused bicyclic arene is_a: CHEBI:37910 ! indene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBYIRNPNPLQARY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.06260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C=Cc2ccccc12" xsd:string [Term] id: CHEBI:41922 name: diethylstilbestrol namespace: chebi_ontology alt_id: CHEBI:41920 alt_id: CHEBI:4531 def: "An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups." [] subset: 3_STAR synonym: "(E)-3,4-bis(4-hydroxyphenyl)-3-hexene" RELATED [ChemIDplus] synonym: "(E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol" RELATED [NIST_Chemistry_WebBook] synonym: "4,4'-(3E)-hex-3-ene-3,4-diyldiphenol" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-dihydroxy-alpha,beta-diethylstilbene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,alpha'-diethyl-(E)-4,4'-stilbenediol" RELATED [NIST_Chemistry_WebBook] synonym: "DES" RELATED [KEGG_COMPOUND] synonym: "Diethylstilbestrol" EXACT [KEGG_COMPOUND] synonym: "diethylstilbestrol" RELATED INN [ChEBI] synonym: "diethylstilbestrol" RELATED INN [ChemIDplus] synonym: "diethylstilbestrolum" RELATED INN [ChemIDplus] synonym: "dietilestilbestrol" RELATED INN [ChemIDplus] synonym: "Distilbene" RELATED BRAND_NAME [DrugBank] synonym: "trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol" RELATED [NIST_Chemistry_WebBook] synonym: "trans-Diethylstilbesterol" RELATED [DrugBank] synonym: "trans-Diethylstilbestrol" RELATED [DrugBank] synonym: "trans-Diethylstilboesterol" RELATED [DrugBank] xref: Beilstein:2056095 {source="ChemIDplus"} xref: CAS:56-53-1 {source="ChemIDplus"} xref: CAS:56-53-1 {source="NIST Chemistry WebBook"} xref: CAS:56-53-1 {source="KEGG COMPOUND"} xref: Drug_Central:875 {source="DrugCentral"} xref: DrugBank:DB00255 xref: FooDB:FDB007498 xref: HMDB:HMDB0014400 xref: KEGG:C07620 xref: KEGG:D00577 xref: PDBeChem:DES xref: PMID:12877905 {source="Europe PMC"} xref: PMID:15322263 {source="Europe PMC"} xref: PMID:16665969 {source="Europe PMC"} xref: PMID:19303142 {source="Europe PMC"} xref: PMID:21795073 {source="Europe PMC"} xref: PMID:21852823 {source="Europe PMC"} xref: PMID:24247716 {source="Europe PMC"} xref: PMID:25934356 {source="Europe PMC"} xref: PMID:28461243 {source="Europe PMC"} xref: PMID:29344720 {source="Europe PMC"} xref: PMID:29609831 {source="Europe PMC"} xref: PMID:29658110 {source="Europe PMC"} xref: PMID:30049842 {source="Europe PMC"} xref: PMID:30153466 {source="Europe PMC"} xref: PMID:30594671 {source="Europe PMC"} xref: PMID:30685453 {source="Europe PMC"} xref: PMID:30758926 {source="Europe PMC"} xref: PMID:30866048 {source="Europe PMC"} xref: PMID:31119342 {source="Europe PMC"} xref: PMID:31119346 {source="Europe PMC"} xref: PMID:31247589 {source="Europe PMC"} xref: PMID:31259848 {source="Europe PMC"} xref: PMID:31280197 {source="Europe PMC"} xref: PMID:31283846 {source="Europe PMC"} xref: PMID:31300300 {source="Europe PMC"} xref: PMID:8832405 {source="Europe PMC"} xref: PMID:9202463 {source="Europe PMC"} xref: Wikipedia:Diethylstilbestrol is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:78840 ! olefinic compound relationship: has_role CHEBI:137626 ! EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor relationship: has_role CHEBI:138880 ! autophagy inducer relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:49200 ! EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:76988 ! xenoestrogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H20O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RGLYKWWBQGJZGM-ISLYRVAYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.35020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.14633" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C(c1ccc(O)cc1)=C(\\CC)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:4194 name: D-hexose namespace: chebi_ontology def: "A hexose that has D-configuration at position 5." [] subset: 3_STAR synonym: "D-hexopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "D-Hexose" EXACT [KEGG_COMPOUND] synonym: "D-hexose" EXACT [UniProt] synonym: "D-hexoses" RELATED [ChEBI] xref: KEGG:C00738 is_a: CHEBI:18133 ! hexose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:41983 name: 4'-epidoxorubicinium namespace: chebi_ontology def: "An anthracycline cation resulting from the protonation of the amino group of 4'-epidoxorubicin." [] subset: 3_STAR synonym: "(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "4'-EPIDOXORUBICIN" RELATED [PDBeChem] xref: PDBeChem:DM6 is_a: CHEBI:64678 ! anthracycline cation relationship: has_functional_parent CHEBI:28748 ! doxorubicin relationship: is_conjugate_base_of CHEBI:47898 ! 4'-epidoxorubicin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H30NO11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AOJJSUZBOXZQNB-VTZDEGQISA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "544.52720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "544.18134" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO" xsd:string [Term] id: CHEBI:42017 name: 2,4-dinitrophenol namespace: chebi_ontology alt_id: CHEBI:42013 alt_id: CHEBI:918 def: "A dinitrophenol having the nitro groups at the 2- and 4-positions." [] subset: 3_STAR synonym: "1-hydroxy-2,4-dinitrobenzene" RELATED [ChemIDplus] synonym: "2,4-DINITROPHENOL" EXACT [PDBeChem] synonym: "2,4-Dinitrophenol" EXACT [KEGG_COMPOUND] synonym: "2,4-dinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-DNP" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-dinitrophenol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1246142 {source="Beilstein"} xref: CAS:51-28-5 {source="ChemIDplus"} xref: CAS:51-28-5 {source="KEGG COMPOUND"} xref: CAS:51-28-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04528 xref: Gmelin:103005 {source="Gmelin"} xref: KEGG:C02496 xref: LINCS:LSM-20951 xref: MetaCyc:CPD-8179 xref: PDBeChem:DNF xref: PMID:10509480 {source="Europe PMC"} xref: PMID:10888472 {source="Europe PMC"} xref: PMID:13532746 {source="Europe PMC"} xref: PMID:15307184 {source="Europe PMC"} xref: PMID:16661637 {source="Europe PMC"} xref: PMID:18505478 {source="Europe PMC"} xref: PMID:25281383 {source="Europe PMC"} xref: PMID:5959282 {source="Europe PMC"} xref: PMID:9129253 {source="Europe PMC"} xref: Reaxys:1246142 {source="Reaxys"} xref: Wikipedia:2\,4-Dinitrophenol is_a: CHEBI:39352 ! dinitrophenol relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:73267 ! oxidative phosphorylation inhibitor relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:84561 ! 2,4-dinitrophenol(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFBJCMHMOXMLKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.10640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "184.01202" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:42111 name: (R)-lactic acid namespace: chebi_ontology alt_id: CHEBI:341 alt_id: CHEBI:42105 alt_id: CHEBI:43701 def: "An optically active form of lactic acid having (R)-configuration." [] subset: 3_STAR synonym: "(-)-lactic acid" RELATED [ChemIDplus] synonym: "(2R)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(-)-lactic acid" RELATED [ChemIDplus] synonym: "D-2-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "D-2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "D-lactic acid" RELATED [ChemIDplus] synonym: "D-Milchsaeure" RELATED [ChEBI] synonym: "LACTIC ACID" RELATED [PDBeChem] xref: Beilstein:1720252 {source="Beilstein"} xref: CAS:10326-41-7 {source="ChemIDplus"} xref: CAS:10326-41-7 {source="KEGG COMPOUND"} xref: DrugBank:DB03066 xref: DrugBank:DB04398 xref: Gmelin:362718 {source="Gmelin"} xref: HMDB:HMDB0001311 xref: KEGG:C00256 xref: KNApSAcK:C00019549 xref: PDBeChem:LAC xref: PMID:21842515 {source="Europe PMC"} xref: PMID:22127808 {source="Europe PMC"} xref: PMID:22277286 {source="Europe PMC"} xref: PMID:22344644 {source="Europe PMC"} xref: Reaxys:1720252 {source="Reaxys"} xref: Wikipedia:Lactic_acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16004 ! (R)-lactate relationship: is_enantiomer_of CHEBI:422 ! (S)-lactic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](O)C(O)=O" xsd:string [Term] id: CHEBI:421840 name: O-methylsalicylic acid namespace: chebi_ontology def: "A methoxybenzoic acid that is the methyl ether of salicylic acid." [] subset: 3_STAR synonym: "2-Anisic acid" RELATED [ChemIDplus] synonym: "2-Methoxy-benzoic acid" RELATED [ChEMBL] synonym: "2-methoxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "o-anisic acid" RELATED [ChEBI] synonym: "o-Methoxybenzoic acid" RELATED [ChemIDplus] synonym: "ortho-methoxybenzoic acid" RELATED [ChEBI] synonym: "Salicylic acid methyl ether" RELATED [ChemIDplus] xref: Beilstein:509929 {source="Beilstein"} xref: CAS:579-75-9 {source="NIST Chemistry WebBook"} xref: CAS:579-75-9 {source="ChemIDplus"} xref: HMDB:HMDB0032604 xref: PMID:1650428 {source="Europe PMC"} xref: PMID:3425858 {source="Europe PMC"} xref: PMID:9252874 {source="Europe PMC"} xref: Reaxys:509929 {source="Reaxys"} xref: Wikipedia:2-Methoxybenzoic_acid xref: Wikipedia:O-Methoxybenzoic_acid is_a: CHEBI:25238 ! methoxybenzoic acid relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35617 ! flavouring agent relationship: is_conjugate_acid_of CHEBI:59128 ! O-methylsalicylate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ILUJQPXNXACGAN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1C(O)=O" xsd:string [Term] id: CHEBI:42191 name: EDTA(4-) namespace: chebi_ontology alt_id: CHEBI:30378 def: "A tetracarboxylic acid anion formed by deprotonation of all four carboxy groups in ethylenediaminetetraacetic acid (EDTA)." [] subset: 3_STAR synonym: "(ethane-1,2-diyldinitrilo)tetraacetate" EXACT IUPAC_NAME [IUPAC] synonym: "(ethylenedinitrilo)tetraacetic acid, ion(4-)" RELATED [ChemIDplus] synonym: "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate" RELATED [IUPAC] synonym: "EDTA tetraanion" RELATED [ChEBI] synonym: "EDTA, ion(4-)" RELATED [ChemIDplus] synonym: "ethylenediamine tetraacetic acid tetraanion" RELATED [ChEBI] synonym: "ethylenediaminetetraacetate" RELATED [IUPAC] synonym: "ethylenediaminetetraacetate tetraanion" RELATED [ChEBI] xref: AGR:IND601129247 {source="Europe PMC"} xref: AGR:IND605249959 {source="Europe PMC"} xref: Beilstein:3914756 {source="Beilstein"} xref: CAS:150-43-6 {source="ChemIDplus"} xref: Gmelin:144943 {source="Gmelin"} xref: PMID:11370764 {source="Europe PMC"} xref: PMID:16472851 {source="Europe PMC"} xref: PMID:22116197 {source="Europe PMC"} xref: PMID:22232891 {source="Europe PMC"} xref: PMID:23587055 {source="Europe PMC"} xref: PMID:31704581 {source="Europe PMC"} xref: PMID:32821617 {source="Europe PMC"} xref: PMID:33811400 {source="Europe PMC"} xref: PMID:34152137 {source="Europe PMC"} xref: PMID:34277313 {source="Europe PMC"} is_a: CHEBI:35754 ! tetracarboxylic acid anion relationship: is_conjugate_base_of CHEBI:63131 ! EDTA(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCXVZYZYPLLWCC-UHFFFAOYSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.06156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O" xsd:string [Term] id: CHEBI:422 name: (S)-lactic acid namespace: chebi_ontology def: "An optically active form of lactic acid having (S)-configuration." [] subset: 3_STAR synonym: "(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2S)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-(+)-alpha-hydroxypropionic acid" RELATED [ChemIDplus] synonym: "L-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "L-Milchsaeure" RELATED [ChEBI] xref: Beilstein:1720251 {source="Beilstein"} xref: CAS:79-33-4 {source="NIST Chemistry WebBook"} xref: CAS:79-33-4 {source="ChemIDplus"} xref: CAS:79-33-4 {source="KEGG COMPOUND"} xref: Gmelin:362717 {source="Gmelin"} xref: HMDB:HMDB0000190 xref: KEGG:C00186 xref: KNApSAcK:C00001191 xref: PMID:21996028 {source="Europe PMC"} xref: PMID:22336740 {source="Europe PMC"} xref: PMID:22367529 {source="Europe PMC"} xref: PMID:22424924 {source="Europe PMC"} xref: PMID:22443585 {source="Europe PMC"} xref: PMID:22461545 {source="Europe PMC"} xref: PMID:22534372 {source="Europe PMC"} xref: PMID:22538963 {source="Europe PMC"} xref: PMID:22578598 {source="Europe PMC"} xref: Reaxys:1720251 {source="Reaxys"} xref: Wikipedia:Lactic_Acid is_a: CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid relationship: has_role CHEBI:76971 ! Escherichia coli metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16651 ! (S)-lactate relationship: is_enantiomer_of CHEBI:42111 ! (R)-lactic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](O)C(O)=O" xsd:string [Term] id: CHEBI:42266 name: ethane namespace: chebi_ontology alt_id: CHEBI:23975 alt_id: CHEBI:42260 def: "An alkane comprising of two carbon atoms." [] subset: 3_STAR synonym: "Aethan" RELATED [ChEBI] synonym: "bimethyl" RELATED [NIST_Chemistry_WebBook] synonym: "C2H6" RELATED [ChEBI] synonym: "CH3-CH3" RELATED [IUPAC] synonym: "dimethyl" RELATED [NIST_Chemistry_WebBook] synonym: "Ethan" RELATED [ChEBI] synonym: "ETHANE" EXACT [PDBeChem] synonym: "ethane" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl hydride" RELATED [NIST_Chemistry_WebBook] synonym: "methylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "R-170" RELATED [ChEBI] xref: Beilstein:1730716 {source="Beilstein"} xref: CAS:74-84-0 {source="ChemIDplus"} xref: CAS:74-84-0 {source="NIST Chemistry WebBook"} xref: Gmelin:212 {source="Gmelin"} xref: PMID:12826252 {source="Europe PMC"} xref: PMID:14664856 {source="Europe PMC"} xref: PMID:16236899 {source="Europe PMC"} xref: Reaxys:1730716 {source="Reaxys"} xref: Wikipedia:Ethane is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6/c1-2/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OTMSDBZUPAUEDD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.06904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.04695" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC" xsd:string [Term] id: CHEBI:42355 name: erythromycin A namespace: chebi_ontology alt_id: CHEBI:112506 alt_id: CHEBI:23950 alt_id: CHEBI:28672 alt_id: CHEBI:42352 alt_id: CHEBI:4841 alt_id: CHEBI:4843 def: "An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" RELATED [IUPAC] synonym: "3''-O-demethylerythromycin" RELATED [ChemIDplus] synonym: "Abomacetin" RELATED [KEGG_COMPOUND] synonym: "eritromicina" RELATED INN [ChemIDplus] synonym: "erthromycin" RELATED [ChEBI] synonym: "ERYTHROMYCIN" RELATED [ChEMBL] synonym: "Erythromycin" RELATED [ChEMBL] synonym: "Erythromycin" RELATED [KEGG_COMPOUND] synonym: "erythromycin" EXACT IUPAC_NAME [IUPAC] synonym: "erythromycin" RELATED INN [ChemIDplus] synonym: "ERYTHROMYCIN A" EXACT [PDBeChem] synonym: "Erythromycin A" EXACT [ChEMBL] synonym: "Erythromycin A" EXACT [KEGG_COMPOUND] synonym: "Erythromycin C" RELATED [KEGG_COMPOUND] synonym: "erythromycine" RELATED INN [ChemIDplus] synonym: "erythromycinum" RELATED INN [ChemIDplus] xref: Beilstein:75000 {source="Beilstein"} xref: Beilstein:75279 {source="Beilstein"} xref: CAS:114-07-8 {source="ChemIDplus"} xref: CAS:114-07-8 {source="KEGG COMPOUND"} xref: CAS:1675-02-1 {source="ChemIDplus"} xref: Drug_Central:1048 {source="DrugCentral"} xref: DrugBank:DB00199 xref: KEGG:C01912 xref: KEGG:D00140 xref: LINCS:LSM-3416 xref: LIPID_MAPS_instance:LMPK04000006 {source="LIPID MAPS"} xref: MetaCyc:CPD-13804 xref: Patent:US2823203 xref: PDBeChem:ERY xref: Reaxys:75279 {source="Reaxys"} is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:48923 ! erythromycin relationship: has_functional_parent CHEBI:48848 ! erythronolide A relationship: is_conjugate_base_of CHEBI:64268 ! erythromycin A(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H67NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ULGZDMOVFRHVEP-RWJQBGPGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "733.92680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "733.46124" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:42471 name: forskolin namespace: chebi_ontology def: "A labdane diterpenoid isolated from the Indian Coleus plant." [] subset: 3_STAR synonym: "(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one" RELATED [ChemIDplus] synonym: "Coleonol" RELATED [KEGG_COMPOUND] synonym: "Coleonolk" RELATED [KEGG_COMPOUND] synonym: "Colforsin" RELATED [KEGG_COMPOUND] synonym: "colforsin" RELATED INN [ChemIDplus] synonym: "colforsina" RELATED INN [ChemIDplus] synonym: "colforsine" RELATED INN [ChemIDplus] synonym: "colforsinum" RELATED INN [ChemIDplus] synonym: "FORSKOLIN" EXACT [PDBeChem] synonym: "Forskolin" EXACT [KEGG_COMPOUND] xref: Beilstein:4300863 {source="Beilstein"} xref: CAS:66428-89-5 {source="ChemIDplus"} xref: CAS:66575-29-9 {source="ChemIDplus"} xref: CAS:66575-29-9 {source="KEGG COMPOUND"} xref: DrugBank:DB02587 xref: KEGG:C09076 xref: KEGG:D03584 xref: KNApSAcK:C00003416 xref: Patent:DE2557784 xref: Patent:US4088659 xref: Patent:US4476140 xref: PDBeChem:FOK xref: PMID:11816015 {source="Europe PMC"} xref: PMID:12676767 {source="Europe PMC"} xref: PMID:12836714 {source="Europe PMC"} xref: PMID:14691682 {source="Europe PMC"} xref: PMID:15135319 {source="Europe PMC"} xref: PMID:15380183 {source="Europe PMC"} xref: PMID:1547891 {source="Europe PMC"} xref: PMID:15525467 {source="Europe PMC"} xref: PMID:16644480 {source="Europe PMC"} xref: PMID:17570033 {source="Europe PMC"} xref: PMID:19831022 {source="Europe PMC"} xref: PMID:7755573 {source="Europe PMC"} xref: PMID:7875530 {source="Europe PMC"} xref: PMID:7898427 {source="Europe PMC"} xref: PMID:7929167 {source="Europe PMC"} xref: PMID:8489512 {source="Europe PMC"} xref: PMID:8985363 {source="Europe PMC"} xref: PMID:9478958 {source="Europe PMC"} xref: PMID:9828101 {source="Europe PMC"} xref: Reaxys:4300863 {source="Reaxys"} xref: Wikipedia:Forskolin is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:27136 ! triol is_a: CHEBI:36770 ! labdane diterpenoid is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:64946 ! anti-HIV agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78547 ! protein kinase A agonist relationship: has_role CHEBI:78548 ! adenylate cyclase agonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H34O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OHCQJHSOBUTRHG-KGGHGJDLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.50120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.23045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C" xsd:string [Term] id: CHEBI:42485 name: formyl group namespace: chebi_ontology alt_id: CHEBI:24089 alt_id: CHEBI:42480 subset: 3_STAR synonym: "-CH(O)" RELATED [IUPAC] synonym: "-CHO" RELATED [IUPAC] synonym: "aldehyde group" EXACT IUPAC_NAME [IUPAC] synonym: "carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Fo" RELATED [CBN] synonym: "formyl" EXACT IUPAC_NAME [IUPAC] synonym: "FORMYL GROUP" EXACT [PDBeChem] synonym: "H-CO-" RELATED [IUPAC] synonym: "methanoyl" RELATED [IUPAC] xref: PDBeChem:FOR is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:30751 ! formic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(*)=O" xsd:string [Term] id: CHEBI:42491 name: flavone namespace: chebi_ontology alt_id: CHEBI:42486 alt_id: CHEBI:5076 def: "The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2." [] subset: 3_STAR synonym: "2-Phenyl-4-benzopyron" RELATED [] synonym: "2-Phenyl-4-chromone" RELATED [] synonym: "2-phenyl-4H-1-benzopyran-4-one" RELATED [] synonym: "2-phenyl-4H-benzopyran-4-one" RELATED [] synonym: "2-PHENYL-4H-CHROMEN-4-ONE" RELATED [] synonym: "2-phenyl-4H-chromen-4-one" EXACT [] synonym: "2-phenyl-gamma-benzopyrone" RELATED [] synonym: "2-Phenylbenzopyran-4-one" RELATED [] synonym: "2-phenylchromone" RELATED [] synonym: "Flavon" RELATED [] synonym: "Flavone" EXACT [] synonym: "flavone" EXACT [] xref: Beilstein:157598 xref: CAS:525-82-6 xref: DrugBank:DB07776 xref: Gmelin:1224858 xref: HMDB:HMDB0003075 xref: KEGG:C10043 xref: KEGG:C15608 xref: KNApSAcK:C00001040 xref: LIPID_MAPS_instance:LMPK12110097 xref: MetaCyc:CPD-8485 xref: PDBeChem:FLN xref: PMID:11370674 xref: PMID:12063116 xref: PMID:17347140 xref: PMID:18596412 xref: Reaxys:157598 is_a: CHEBI:24043 ! flavones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHBFFQKBGNRLFZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.23870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1cc(oc2ccccc12)-c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:425902 name: propiophenone namespace: chebi_ontology def: "An aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl." [] subset: 3_STAR synonym: "1-Phenyl-1-propanone" RELATED [ChemIDplus] synonym: "1-Phenyl-propan-1-one" RELATED [ChEMBL] synonym: "1-phenylpropan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "1-phenylpropan-1-one" RELATED [UniProt] synonym: "Ethyl phenyl ketone" RELATED [ChemIDplus] synonym: "Phenyl ethyl ketone" RELATED [ChemIDplus] synonym: "Propionphenone" RELATED [NIST_Chemistry_WebBook] synonym: "Propionylbenzene" RELATED [ChemIDplus] xref: Beilstein:606215 {source="Beilstein"} xref: CAS:93-55-0 {source="NIST Chemistry WebBook"} xref: CAS:93-55-0 {source="ChemIDplus"} xref: HMDB:HMDB0032623 xref: Patent:CN101759540 xref: PDBeChem:I1E xref: PMID:24302226 {source="Europe PMC"} xref: Reaxys:606215 {source="Reaxys"} xref: Wikipedia:Propiophenone is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:48318 ! fragrance property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRIOVPPHQSLHCZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.17510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:42724 name: (R)-amphetamine namespace: chebi_ontology alt_id: CHEBI:35339 alt_id: CHEBI:42720 def: "A 1-phenylpropan-2-amine that has R configuration." [] subset: 3_STAR synonym: "(-)-amphetamine" RELATED [ChemIDplus] synonym: "(-)-phenylisopropylamine" RELATED [ChemIDplus] synonym: "(2R)-1-phenylpropan-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-alpha-methylbenzeneethanamine" RELATED [ChemIDplus] synonym: "(R)-alpha-methylphenethylamine" RELATED [ChemIDplus] synonym: "(R)-amphetamine" EXACT [ChemIDplus] synonym: "levamfetamine" RELATED [ChemIDplus] synonym: "levamphetamine" RELATED [ChemIDplus] xref: Beilstein:2432739 {source="Beilstein"} xref: CAS:156-34-3 {source="ChemIDplus"} xref: Drug_Central:1562 {source="DrugCentral"} xref: Gmelin:1125855 {source="Gmelin"} is_a: CHEBI:132233 ! 1-phenylpropan-2-amine relationship: is_enantiomer_of CHEBI:4469 ! (S)-amphetamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWTSXDURSIMDCE-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.20626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.10480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](N)Cc1ccccc1" xsd:string [Term] id: CHEBI:42797 name: gabapentin namespace: chebi_ontology alt_id: CHEBI:5237 def: "A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome." [] subset: 3_STAR synonym: "1-(Aminomethyl)cyclohexaneacetic acid" RELATED [ChemIDplus] synonym: "[1-(aminomethyl)cyclohexyl]acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "gabapentin" RELATED INN [KEGG_DRUG] synonym: "gabapentina" RELATED INN [WHO_MedNet] synonym: "gabapentine" RELATED INN [DrugBank] synonym: "gabapentinum" RELATED INN [DrugBank] synonym: "Neurontin" RELATED BRAND_NAME [DrugBank] xref: Beilstein:2359739 {source="ChemIDplus"} xref: CAS:60142-96-3 {source="KEGG DRUG"} xref: CAS:60142-96-3 {source="ChemIDplus"} xref: Drug_Central:1264 {source="DrugCentral"} xref: DrugBank:DB00996 xref: HMDB:HMDB0005015 xref: KEGG:D00332 xref: LINCS:LSM-5716 xref: Patent:EP1140793 xref: Patent:US2008103334 xref: Patent:US2008269326 xref: Patent:US2009043126 xref: Patent:US2009292138 xref: Patent:US2012046272 xref: Patent:WO2005037784 xref: Patent:WO2008060572 xref: Patent:WO2010023694 xref: PDBeChem:GBN xref: PMID:22048285 {source="Europe PMC"} xref: PMID:22144034 {source="Europe PMC"} xref: PMID:22240839 {source="Europe PMC"} xref: PMID:22240859 {source="Europe PMC"} xref: PMID:22279347 {source="Europe PMC"} xref: PMID:22296650 {source="Europe PMC"} xref: PMID:22345405 {source="Europe PMC"} xref: PMID:22352861 {source="Europe PMC"} xref: PMID:22419014 {source="Europe PMC"} xref: PMID:22422817 {source="Europe PMC"} xref: PMID:22464746 {source="Europe PMC"} xref: PMID:22467888 {source="Europe PMC"} xref: PMID:22556282 {source="Europe PMC"} xref: PMID:22575516 {source="Europe PMC"} xref: PMID:22612015 {source="Europe PMC"} xref: PMID:22865488 {source="Europe PMC"} xref: PMID:22888801 {source="Europe PMC"} xref: PMID:22934077 {source="Europe PMC"} xref: PMID:22946876 {source="Europe PMC"} xref: PMID:23018586 {source="Europe PMC"} xref: PMID:23053645 {source="Europe PMC"} xref: Reaxys:2359739 {source="Reaxys"} xref: VSDB:2975 xref: Wikipedia:Gabapentin is_a: CHEBI:33707 ! gamma-amino acid relationship: has_functional_parent CHEBI:16865 ! gamma-aminobutyric acid relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UGJMXCAKCUNAIE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "171.23680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.12593" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC1(CCCCC1)CC(O)=O" xsd:string [Term] id: CHEBI:42820 name: guanidine namespace: chebi_ontology alt_id: CHEBI:24435 alt_id: CHEBI:42816 def: "An aminocarboxamidine, the parent compound of the guanidines." [] subset: 3_STAR synonym: "aminomethanamidine" RELATED [NIST_Chemistry_WebBook] synonym: "Gu" RELATED [ChEBI] synonym: "guanidin" RELATED [ChEBI] synonym: "GUANIDINE" EXACT [PDBeChem] synonym: "guanidine" EXACT IUPAC_NAME [IUPAC] synonym: "H2N-C(=NH)-NH2" RELATED [IUPAC] synonym: "iminourea" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:506044 {source="Beilstein"} xref: CAS:113-00-8 {source="ChemIDplus"} xref: CAS:113-00-8 {source="NIST Chemistry WebBook"} xref: Drug_Central:1344 {source="DrugCentral"} xref: DrugBank:DB00536 xref: Gmelin:100679 {source="Gmelin"} xref: PDBeChem:GAI xref: PMID:8070089 {source="Europe PMC"} xref: Reaxys:506044 {source="Reaxys"} xref: Wikipedia:Guanidine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:35359 ! carboxamidine is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_base_of CHEBI:30087 ! guanidinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRALSGWEFCBTJO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.07062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.04835" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=N" xsd:string [Term] id: CHEBI:42843 name: glycinamide namespace: chebi_ontology alt_id: CHEBI:24369 alt_id: CHEBI:42837 subset: 3_STAR synonym: "2-aminoacetamide" EXACT IUPAC_NAME [IUPAC] synonym: "AMINOMETHYLAMIDE" RELATED [PDBeChem] synonym: "Glycinamid" RELATED [ChEBI] synonym: "glycine amide" RELATED [ChemIDplus] xref: Beilstein:635783 {source="Beilstein"} xref: CAS:598-41-4 {source="NIST Chemistry WebBook"} xref: CAS:598-41-4 {source="ChemIDplus"} xref: DrugBank:DB03636 xref: PDBeChem:GM1 is_a: CHEBI:22475 ! amino acid amide is_a: CHEBI:24373 ! glycine derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BEBCJVAWIBVWNZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.08192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(N)=O" xsd:string [Term] id: CHEBI:42939 name: cyclohexylammonium namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the amino group of cyclohexylamine." [] subset: 3_STAR synonym: "cyclohexanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "cyclohexylamine" RELATED [UniProt] synonym: "CYCLOHEXYLAMMONIUM ION" RELATED [PDBeChem] xref: DrugBank:DB02995 xref: PDBeChem:HAI is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:15773 ! cyclohexylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAFZNILMFXTMIY-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.18210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.11208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C1CCCCC1" xsd:string [Term] id: CHEBI:43098 name: heptane namespace: chebi_ontology alt_id: CHEBI:32891 alt_id: CHEBI:43095 def: "A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi)." [] subset: 3_STAR synonym: "CH3-[CH2]5-CH3" RELATED [IUPAC] synonym: "Heptan" RELATED [NIST_Chemistry_WebBook] synonym: "heptane" EXACT IUPAC_NAME [IUPAC] synonym: "n-heptane" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1730763 {source="Beilstein"} xref: CAS:142-82-5 {source="NIST Chemistry WebBook"} xref: CAS:142-82-5 {source="ChemIDplus"} xref: Gmelin:49760 {source="Gmelin"} xref: HMDB:HMDB0031447 xref: MetaCyc:CPD-9286 xref: PDBeChem:HP6 xref: PMID:12226360 {source="Europe PMC"} xref: PMID:23544797 {source="Europe PMC"} xref: Wikipedia:Heptane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IMNFDUFMRHMDMM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.20194" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCC" xsd:string [Term] id: CHEBI:43176 name: hydroxy group namespace: chebi_ontology alt_id: CHEBI:24706 alt_id: CHEBI:43171 subset: 3_STAR synonym: "-OH" RELATED [IUPAC] synonym: "hydroxy" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROXY GROUP" EXACT [PDBeChem] synonym: "hydroxy group" EXACT [UniProt] synonym: "hydroxyl" RELATED [ChEBI] synonym: "hydroxyl group" RELATED [ChEBI] xref: PDBeChem:OH is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.00734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*O[H]" xsd:string [Term] id: CHEBI:43254 name: (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:38337 ! pyrimidone relationship: is_tautomer_of CHEBI:17568 ! uracil [Term] id: CHEBI:43415 name: dexibuprofen namespace: chebi_ontology alt_id: CHEBI:35706 alt_id: CHEBI:43412 subset: 3_STAR synonym: "(+)-(S)-p-isobutylhydratropic acid" RELATED [ChemIDplus] synonym: "(2S)-2-(4-isobutylphenyl)propanoic acid" RELATED [ChEBI] synonym: "(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid" RELATED [ChemIDplus] synonym: "d-ibuproten" RELATED [ChemIDplus] synonym: "Dexibuprofen" EXACT [ChemIDplus] synonym: "IBUPROFEN" RELATED [PDBeChem] xref: Beilstein:3590020 {source="Beilstein"} xref: Beilstein:3590022 {source="Beilstein"} xref: CAS:51146-56-6 {source="ChemIDplus"} xref: Drug_Central:3851 {source="DrugCentral"} xref: KEGG:D03715 xref: LINCS:LSM-2323 xref: PDBeChem:IBP is_a: CHEBI:5855 ! ibuprofen relationship: is_enantiomer_of CHEBI:47835 ! levibuprofen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEFNNWSXXWATRW-JTQLQIEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.28082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.13068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O" xsd:string [Term] id: CHEBI:43474 name: hydrogenphosphate namespace: chebi_ontology alt_id: CHEBI:29139 alt_id: CHEBI:43470 def: "A phosphate ion that is the conjugate base of dihydrogenphosphate." [] subset: 3_STAR synonym: "[P(OH)O3](2-)" RELATED [MolBase] synonym: "[PO3(OH)](2-)" RELATED [IUPAC] synonym: "HPO4(2-)" RELATED [IUPAC] synonym: "hydrogen phosphate" RELATED [ChEBI] synonym: "hydrogen(tetraoxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROGENPHOSPHATE ION" RELATED [PDBeChem] synonym: "hydrogentetraoxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "INORGANIC PHOSPHATE GROUP" RELATED [PDBeChem] synonym: "phosphate" RELATED [UniProt] xref: Gmelin:1998 {source="Gmelin"} xref: MolBase:1628 xref: PDBeChem:PI xref: PDBeChem:PO4 is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_acid_of CHEBI:18367 ! phosphate(3-) relationship: is_conjugate_base_of CHEBI:39745 ! dihydrogenphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.97930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.96234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:43799 name: butan-1-amine namespace: chebi_ontology def: "A primary aliphatic amine that is butane substituted by an amino group at position 1." [] subset: 3_STAR synonym: "1-Aminobutan" RELATED [ChemIDplus] synonym: "1-aminobutane" RELATED [ChemIDplus] synonym: "1-butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "1-butylamine" RELATED [NIST_Chemistry_WebBook] synonym: "butan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "butanamine" RELATED [NIST_Chemistry_WebBook] synonym: "BUTYLAMINE" RELATED [PDBeChem] synonym: "butylamine" RELATED [ChemIDplus] synonym: "mono-n-butylamine" RELATED [ChemIDplus] synonym: "monobutylamine" RELATED [NIST_Chemistry_WebBook] synonym: "n-Butylamin" RELATED [ChemIDplus] synonym: "n-butylamine" RELATED [ChemIDplus] synonym: "n-C4H9NH2" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:605269 {source="Beilstein"} xref: CAS:109-73-9 {source="NIST Chemistry WebBook"} xref: CAS:109-73-9 {source="ChemIDplus"} xref: DrugBank:DB03659 xref: Gmelin:1784 {source="Gmelin"} xref: MetaCyc:BUTYLAMINE xref: PDBeChem:LYT xref: PMID:16387436 {source="Europe PMC"} xref: PMID:23470444 {source="Europe PMC"} xref: PMID:23734590 {source="Europe PMC"} xref: Reaxys:605269 {source="Reaxys"} xref: Wikipedia:N-Butylamine is_a: CHEBI:17062 ! primary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HQABUPZFAYXKJW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.13680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCN" xsd:string [Term] id: CHEBI:43830 name: 3,7-bis(dimethylamino)phenothiazin-5-ium namespace: chebi_ontology def: "An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'." [] subset: 3_STAR synonym: "3,7-bis(dimethylamino)phenothiazin-5-ium" EXACT IUPAC_NAME [IUPAC] synonym: "methylene blue cation" RELATED [ChEBI] xref: Beilstein:3594217 {source="Beilstein"} xref: Drug_Central:1763 {source="DrugCentral"} xref: DrugBank:DB08167 xref: LINCS:LSM-4555 xref: PDBeChem:MBT xref: Reaxys:3594217 {source="Reaxys"} is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:78523 ! 3,7-bis(dimethylamino)phenothiazine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H18N3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RBTBFTRPCNLSDE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.40034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C" xsd:string [Term] id: CHEBI:43966 name: melagatran namespace: chebi_ontology alt_id: CHEBI:73114 def: "A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)benzenecarboximidamide and in which the hydrogen attached to the azetidine nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(carboxymethyl)amino]acetyl group." [] subset: 3_STAR synonym: "melagatran" RELATED INN [WHO_MedNet] synonym: "melagatran" RELATED INN [ChemIDplus] synonym: "melagatranum" RELATED INN [WHO_MedNet] synonym: "N-((R)-(((2S)-2-((-p-amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine" RELATED [ChemIDplus] synonym: "N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine" EXACT IUPAC_NAME [IUPAC] xref: CAS:159776-70-2 {source="KEGG DRUG"} xref: CAS:159776-70-2 {source="ChemIDplus"} xref: KEGG:D07143 xref: PDBeChem:MEL xref: PMID:10102460 {source="Europe PMC"} xref: PMID:11060733 {source="Europe PMC"} xref: PMID:12846595 {source="Europe PMC"} xref: PMID:13680847 {source="Europe PMC"} xref: PMID:15487959 {source="Europe PMC"} xref: PMID:16106594 {source="Europe PMC"} xref: PMID:16123912 {source="Europe PMC"} xref: PMID:16767816 {source="Europe PMC"} xref: PMID:22546231 {source="Europe PMC"} xref: PMID:28338626 {source="Europe PMC"} xref: PMID:9459334 {source="Europe PMC"} xref: Reaxys:8090770 {source="Reaxys"} is_a: CHEBI:35359 ! carboxamidine is_a: CHEBI:35735 ! dicarboxylic acid monoamide is_a: CHEBI:38777 ! azetidines is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:64926 ! serine protease inhibitor relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H31N5O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKWNMCUOEDMMIN-PKOBYXMFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "429.51260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "429.23760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=N" xsd:string [Term] id: CHEBI:44107 name: malachite green cation namespace: chebi_ontology def: "An iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye." [] subset: 3_STAR synonym: "4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium" EXACT IUPAC_NAME [IUPAC] synonym: "malachite green" RELATED [ChemIDplus] synonym: "malachite green(1+)" RELATED [ChEBI] synonym: "N-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium" RELATED [PDBeChem] xref: CAS:10309-95-2 {source="ChemIDplus"} xref: DrugBank:DB03895 xref: PDBeChem:MGR xref: PMID:21487207 {source="Europe PMC"} xref: PMID:22236952 {source="Europe PMC"} xref: PMID:22526306 {source="Europe PMC"} xref: PMID:23122763 {source="Europe PMC"} xref: PMID:23199816 {source="Europe PMC"} xref: PMID:23203820 {source="Europe PMC"} xref: PMID:23286983 {source="Europe PMC"} xref: PMID:23296502 {source="Europe PMC"} xref: PMID:23323052 {source="Europe PMC"} xref: PMID:23978698 {source="Europe PMC"} xref: Reaxys:3558618 {source="Reaxys"} xref: Wikipedia:Malachite_green is_a: CHEBI:35286 ! iminium ion relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:86327 ! antifungal drug property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H25N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VFCNQNZNPKRXIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.45800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.20123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C" xsd:string [Term] id: CHEBI:44156 name: terbutryn namespace: chebi_ontology alt_id: CHEBI:26867 alt_id: CHEBI:44152 def: "A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively." [] subset: 3_STAR synonym: "2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine" RELATED [ChEBI] synonym: "2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-(tert-butylamino)-4-(ethylamino)-6-(methylthio)triazine" RELATED [UM-BBD] synonym: "2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE" RELATED [PDBeChem] synonym: "2-tert-butylamino-4-ethylamino-6-methylthio-[1,3,5]triazine" RELATED [NIST_Chemistry_WebBook] synonym: "N(2)-tert-butyl-N(4)-ethyl-6-methylthio-1,3,5-triazine-2,4-diamine" RELATED [ChemIDplus] synonym: "N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine" RELATED [NIST_Chemistry_WebBook] synonym: "N-(tert-butyl)-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(tert-butyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine" RELATED [ChEBI] synonym: "terbutryn" EXACT [UM-BBD] synonym: "Terbutryne" RELATED [ChemIDplus] xref: Beilstein:611817 {source="Beilstein"} xref: CAS:886-50-0 {source="NIST Chemistry WebBook"} xref: CAS:886-50-0 {source="ChemIDplus"} xref: CAS:886-50-0 {source="KEGG COMPOUND"} xref: DrugBank:DB08215 xref: KEGG:C18811 xref: PDBeChem:MST xref: Pesticides:terbutryn {source="Alan Wood's Pesticides"} xref: PMID:11201052 {source="Europe PMC"} xref: PMID:18049772 {source="Europe PMC"} xref: PMID:7108146 {source="Europe PMC"} xref: PPDB:624 xref: Reaxys:611817 {source="Reaxys"} xref: UM-BBD_compID:c0256 {source="UM-BBD"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38174 ! methylthio-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IROINLKCQGIITA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.35756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.13612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NC(C)(C)C)nc(SC)n1" xsd:string [Term] id: CHEBI:44185 name: methotrexate namespace: chebi_ontology alt_id: CHEBI:44183 alt_id: CHEBI:6837 subset: 3_STAR synonym: "4-amino-10-methylfolic acid" RELATED [ChemIDplus] synonym: "4-amino-N(10)-methylpteroylglutamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Emtexate" RELATED BRAND_NAME [DrugBank] synonym: "Ledertrexate" RELATED BRAND_NAME [DrugBank] synonym: "METHOTREXATE" EXACT [PDBeChem] synonym: "Methotrexate" EXACT [KEGG_COMPOUND] synonym: "methotrexate" RELATED INN [KEGG_DRUG] synonym: "methotrexatum" RELATED INN [ChemIDplus] synonym: "metotrexato" RELATED INN [ChemIDplus] synonym: "MTX" RELATED [ChemIDplus] synonym: "N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Rheumatrex" RELATED BRAND_NAME [DrugBank] synonym: "Trexall" RELATED BRAND_NAME [DrugBank] xref: Beilstein:70669 {source="Beilstein"} xref: CAS:59-05-2 {source="ChemIDplus"} xref: CAS:59-05-2 {source="NIST Chemistry WebBook"} xref: CAS:59-05-2 {source="KEGG COMPOUND"} xref: Drug_Central:1751 {source="DrugCentral"} xref: DrugBank:DB00563 xref: KEGG:C01937 xref: KEGG:D00142 xref: LINCS:LSM-5690 xref: Patent:US2512572 xref: PDBeChem:MTX xref: Wikipedia:Methotrexate is_a: CHEBI:26373 ! pteridines is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35692 ! dicarboxylic acid relationship: has_functional_parent CHEBI:16015 ! L-glutamic acid relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:35842 ! antirheumatic drug relationship: has_role CHEBI:50177 ! dermatologic drug relationship: has_role CHEBI:50683 ! EC 1.5.1.3 (dihydrofolate reductase) inhibitor relationship: has_role CHEBI:50691 ! abortifacient relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: is_conjugate_acid_of CHEBI:50680 ! methotrexate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H22N8O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBOZXECLQNJBKD-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.43960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.17132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:44229 name: naphthalene-2-sulfonic acid namespace: chebi_ontology alt_id: CHEBI:30894 alt_id: CHEBI:44225 def: "A naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring." [] subset: 3_STAR synonym: "2-NAPHTHALENESULFONIC ACID" RELATED [PDBeChem] synonym: "2-naphthalenesulfonic acid" RELATED [ChemIDplus] synonym: "beta-naphthalenesulfonic acid" RELATED [ChemIDplus] synonym: "beta-naphthylsulfonic acid" RELATED [ChemIDplus] synonym: "Naphthalene-2-sulfonate" RELATED [KEGG_COMPOUND] synonym: "naphthalene-2-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "naphthalene-2-sulphonic acid" RELATED [ChemIDplus] xref: Beilstein:1955756 {source="Beilstein"} xref: CAS:120-18-3 {source="KEGG COMPOUND"} xref: CAS:120-18-3 {source="ChemIDplus"} xref: DrugBank:DB08254 xref: Gmelin:83920 {source="Gmelin"} xref: KEGG:C16202 xref: PDBeChem:NAS xref: PMID:24645539 {source="Europe PMC"} xref: PMID:25080254 {source="Europe PMC"} xref: Reaxys:1955756 {source="Reaxys"} is_a: CHEBI:36336 ! naphthalenesulfonic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVBGVZZKJNLNJU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "208.23472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "208.01942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(=O)(=O)c1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:44383 name: N-methyl urea namespace: chebi_ontology def: "A member of the class of ureas that is urea substituted by a methyl group at one of the nitrogen atoms." [] subset: 3_STAR synonym: "1-methylurea" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl urea" RELATED [KEGG_COMPOUND] synonym: "Monomethylurea" RELATED [ChemIDplus] xref: CAS:598-50-5 {source="ChemIDplus"} xref: KEGG:C16363 xref: PDBeChem:NMU xref: PMID:24642102 {source="Europe PMC"} xref: Reaxys:878189 {source="Reaxys"} is_a: CHEBI:47857 ! ureas property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XGEGHDBEHXKFPX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.08180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(N)=O" xsd:string [Term] id: CHEBI:44423 name: hydroxyurea namespace: chebi_ontology alt_id: CHEBI:44420 alt_id: CHEBI:5816 def: "A member of the class of ureas that is urea in which one of the hydrogens is replaced by a hydroxy group. An antineoplastic used in the treatment of chronic myeloid leukaemia as well as for sickle-cell disease." [] subset: 3_STAR synonym: "carbamohydroxamic acid" RELATED [ChemIDplus] synonym: "carbamohydroximic acid" RELATED [ChemIDplus] synonym: "carbamoyl oxime" RELATED [ChemIDplus] synonym: "carbamyl hydroxamate" RELATED [ChemIDplus] synonym: "hidroxicarbamida" RELATED INN [ChemIDplus] synonym: "hydrea" RELATED [ChemIDplus] synonym: "Hydroxycarbamid" RELATED [ChEBI] synonym: "Hydroxycarbamide" RELATED [KEGG_COMPOUND] synonym: "hydroxycarbamide" RELATED INN [WHO_MedNet] synonym: "hydroxycarbamide" RELATED INN [ChemIDplus] synonym: "hydroxycarbamidum" RELATED INN [ChemIDplus] synonym: "Hydroxyharnstoff" RELATED [ChEBI] synonym: "Hydroxyurea" EXACT [KEGG_COMPOUND] synonym: "hydroxyurea" EXACT [UniProt] synonym: "N-carbamoylhydroxylamine" RELATED [ChemIDplus] synonym: "N-HYDROXYUREA" RELATED [PDBeChem] synonym: "N-hydroxyurea" EXACT IUPAC_NAME [IUPAC] synonym: "oxyurea" RELATED [ChemIDplus] xref: Beilstein:1741548 {source="ChemIDplus"} xref: CAS:127-07-1 {source="KEGG COMPOUND"} xref: CAS:127-07-1 {source="ChemIDplus"} xref: Drug_Central:1399 {source="DrugCentral"} xref: DrugBank:DB01005 xref: Gmelin:130423 {source="Gmelin"} xref: HMDB:HMDB0015140 xref: KEGG:C07044 xref: KEGG:D00341 xref: MetaCyc:HYDROXY-UREA xref: Patent:US2705727 xref: PDBeChem:NHY xref: PMID:11285159 {source="Europe PMC"} xref: PMID:11298103 {source="Europe PMC"} xref: PMID:11364534 {source="Europe PMC"} xref: PMID:11365149 {source="Europe PMC"} xref: PMID:11391710 {source="Europe PMC"} xref: PMID:12107454 {source="Europe PMC"} xref: PMID:14988684 {source="Europe PMC"} xref: PMID:15772364 {source="Europe PMC"} xref: PMID:15994344 {source="Europe PMC"} xref: PMID:16356682 {source="Europe PMC"} xref: PMID:22983419 {source="Europe PMC"} xref: PMID:23318979 {source="Europe PMC"} xref: PMID:23643402 {source="Europe PMC"} xref: PMID:23696560 {source="Europe PMC"} xref: PMID:9271088 {source="Europe PMC"} xref: Reaxys:1741548 {source="Reaxys"} xref: Wikipedia:Hydroxyurea is_a: CHEBI:47857 ! ureas is_a: CHEBI:64708 ! one-carbon compound relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50846 ! immunomodulator relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor relationship: has_role CHEBI:64911 ! antimitotic relationship: has_role CHEBI:74213 ! EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSNHCAURESNICA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.05474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.02728" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)NO" xsd:string [Term] id: CHEBI:4445 name: desflurane namespace: chebi_ontology subset: 3_STAR synonym: "(+-)-2-difluoromethyl 1,2,2,2-tetrafluoroethyl ether" RELATED [ChemIDplus] synonym: "1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane" RELATED [NIST_Chemistry_WebBook] synonym: "2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane" EXACT IUPAC_NAME [IUPAC] synonym: "Desflurane" EXACT [KEGG_COMPOUND] synonym: "difluoromethyl 1,2,2,2-tetrafluoroethyl ether" RELATED [IUPAC] synonym: "Suprane" RELATED [ChemIDplus] xref: Beilstein:7286887 {source="Beilstein"} xref: CAS:57041-67-5 {source="ChemIDplus"} xref: CAS:57041-67-5 {source="NIST Chemistry WebBook"} xref: CAS:57041-67-5 {source="KEGG COMPOUND"} xref: Drug_Central:811 {source="DrugCentral"} xref: DrugBank:DB01189 xref: KEGG:C07519 xref: KEGG:D00546 xref: Wikipedia:Desflurane is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:39832 ! methoxyethane relationship: has_role CHEBI:38870 ! inhalation anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2F6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPYMFVXJLLWWEU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.03780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.00098" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)OC(F)C(F)(F)F" xsd:string [Term] id: CHEBI:44557 name: nitrilotriacetic acid namespace: chebi_ontology alt_id: CHEBI:34889 alt_id: CHEBI:44555 subset: 3_STAR synonym: "alpha,alpha',alpha''-trimethylaminetricarboxylic acid" RELATED [ChemIDplus] synonym: "Complexon I" RELATED [ChEBI] synonym: "H3nta" RELATED [IUPAC] synonym: "Komplexon I" RELATED [ChEBI] synonym: "N(CH2-COOH)3" RELATED [IUPAC] synonym: "N,N-bis(carboxymethyl)glycine" EXACT IUPAC_NAME [IUPAC] synonym: "nitrilo-2,2',2''-triacetic acid" RELATED [ChemIDplus] synonym: "Nitrilotriacetate" RELATED [KEGG_COMPOUND] synonym: "NITRILOTRIACETIC ACID" EXACT [PDBeChem] synonym: "Nitrilotriacetic acid" EXACT [KEGG_COMPOUND] synonym: "Nitrilotriessigsaeure" RELATED [ChEBI] synonym: "NTA" RELATED [ChemIDplus] synonym: "tri(carboxymethyl)amine" RELATED [ChemIDplus] synonym: "triglycine" RELATED [ChemIDplus] synonym: "Triglycollamic acid" RELATED [KEGG_COMPOUND] synonym: "Trilon A" RELATED [ChemIDplus] xref: Beilstein:1710776 {source="ChemIDplus"} xref: CAS:139-13-9 {source="NIST Chemistry WebBook"} xref: CAS:139-13-9 {source="ChemIDplus"} xref: CAS:139-13-9 {source="KEGG COMPOUND"} xref: DrugBank:DB03040 xref: Gmelin:3726 {source="Gmelin"} xref: KEGG:C14695 xref: PDBeChem:NTA is_a: CHEBI:27093 ! tricarboxylic acid is_a: CHEBI:39054 ! NTA relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50909 ! nephrotoxic agent relationship: is_conjugate_acid_of CHEBI:39053 ! nitrilotriacetate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGFYIUFZLHCRTH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "191.13880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "191.04299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CN(CC(O)=O)CC(O)=O" xsd:string [Term] id: CHEBI:4469 name: (S)-amphetamine namespace: chebi_ontology def: "A 1-phenylpropan-2-amine that has S configuration." [] subset: 3_STAR synonym: "(+)-(S)-amphetamine" RELATED [ChemIDplus] synonym: "(+)-alpha-methylphenethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "(+)-alpha-methylphenylethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "(+)-amphetamine" RELATED [ChEBI] synonym: "(2S)-1-phenylpropan-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "(alphaS)-alpha-methylbenzeneethanamine" RELATED [ChemIDplus] synonym: "(S)-(+)-amphetamine" RELATED [ChemIDplus] synonym: "(S)-(+)-beta-phenylisopropylamine" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-1-phenyl-2-aminopropane" RELATED [ChemIDplus] synonym: "(S)-1-phenyl-2-propylamine" RELATED [ChemIDplus] synonym: "(S)-alpha-methylbenzeneethanamine" RELATED [ChemIDplus] synonym: "(S)-amphetamine" EXACT [NIST_Chemistry_WebBook] synonym: "d-amphetamine" RELATED [ChemIDplus] synonym: "dexamphetamine" RELATED [NIST_Chemistry_WebBook] synonym: "Dextroamphetamine" RELATED [KEGG_COMPOUND] xref: Beilstein:2205872 {source="ChemIDplus"} xref: CAS:51-64-9 {source="ChemIDplus"} xref: CAS:51-64-9 {source="KEGG COMPOUND"} xref: CAS:51-64-9 {source="NIST Chemistry WebBook"} xref: Drug_Central:841 {source="DrugCentral"} xref: DrugBank:DB01576 xref: Gmelin:1125854 {source="Gmelin"} xref: KEGG:C07884 xref: KEGG:D03740 xref: PMID:22129527 {source="Europe PMC"} xref: PMID:22894820 {source="Europe PMC"} xref: PMID:23360956 {source="Europe PMC"} xref: PMID:23851485 {source="Europe PMC"} xref: PMID:23881044 {source="Europe PMC"} xref: PMID:23907377 {source="Europe PMC"} xref: PMID:24349338 {source="Europe PMC"} xref: Wikipedia:Dextroamphetamine is_a: CHEBI:132233 ! 1-phenylpropan-2-amine relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor relationship: is_enantiomer_of CHEBI:42724 ! (R)-amphetamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWTSXDURSIMDCE-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.20626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.10480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](N)Cc1ccccc1" xsd:string [Term] id: CHEBI:4470 name: dextromethorphan namespace: chebi_ontology alt_id: CHEBI:92579 def: "A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough." [] subset: 3_STAR synonym: "(+)-3-methoxy-N-methylmorphinan" RELATED [ChemIDplus] synonym: "(+)-dextromethorphan" RELATED [DrugCentral] synonym: "(4aS,10S,10aS)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene" EXACT IUPAC_NAME [IUPAC] synonym: "(9alpha,13alpha,14alpha)-3-methoxy-17-methylmorphinan" RELATED [ChemIDplus] synonym: "3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan" EXACT IUPAC_NAME [IUPAC] synonym: "3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan" RELATED [NIST_Chemistry_WebBook] synonym: "Albutussin" RELATED BRAND_NAME [ChemIDplus] synonym: "Antussan" RELATED BRAND_NAME [ChEBI] synonym: "BA 2666" RELATED [ChemIDplus] synonym: "BA-2666" RELATED [ChEBI] synonym: "Balminil DM" RELATED BRAND_NAME [ChEBI] synonym: "Benylin DM" RELATED BRAND_NAME [HMDB] synonym: "Calmylin" RELATED BRAND_NAME [ChEBI] synonym: "D-methorphan" RELATED [NIST_Chemistry_WebBook] synonym: "d-Methorphan" RELATED [DrugCentral] synonym: "Delsym" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "destrometerfano" RELATED [ChemIDplus] synonym: "dextromethorfan" RELATED [ChemIDplus] synonym: "dextromethorphan" RELATED INN [WHO_MedNet] synonym: "dextromethorphane" RELATED INN [WHO_MedNet] synonym: "dextromethorphanum" RELATED INN [WHO_MedNet] synonym: "dextrometorfano" RELATED INN [WHO_MedNet] synonym: "Dextromorphan" RELATED BRAND_NAME [ChemIDplus] synonym: "DXM" RELATED [ChemIDplus] synonym: "Medicon" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Romilar" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Tusilan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] xref: CAS:125-71-3 {source="KEGG COMPOUND"} xref: CAS:125-71-3 {source="NIST Chemistry WebBook"} xref: CAS:125-71-3 {source="ChemIDplus"} xref: Drug_Central:842 {source="DrugCentral"} xref: DrugBank:DB00514 xref: HMDB:HMDB0001920 xref: KEGG:C06947 xref: KEGG:D03742 xref: LINCS:LSM-2726 xref: PMID:10869398 {source="Europe PMC"} xref: PMID:12711372 {source="Europe PMC"} xref: PMID:15505150 {source="Europe PMC"} xref: PMID:17157116 {source="Europe PMC"} xref: PMID:17461892 {source="Europe PMC"} xref: PMID:17573115 {source="Europe PMC"} xref: PMID:18160193 {source="Europe PMC"} xref: PMID:18198471 {source="Europe PMC"} xref: PMID:24269965 {source="Europe PMC"} xref: PMID:2660263 {source="Europe PMC"} xref: PMID:31094746 {source="Europe PMC"} xref: PMID:7976530 {source="Europe PMC"} xref: PMID:8158182 {source="Europe PMC"} xref: PMID:9705419 {source="Europe PMC"} xref: Reaxys:88549 {source="Reaxys"} xref: Wikipedia:Dextromethorphan is_a: CHEBI:146178 ! 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene relationship: has_functional_parent CHEBI:29133 ! dextrorphan relationship: has_role CHEBI:146270 ! oneirogen relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_enantiomer_of CHEBI:146176 ! levomethorphan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H25NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MKXZASYAUGDDCJ-NJAFHUGGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.19361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=2C[C@H]3[C@@]4([C@](C2C=C(C1)OC)(CCCC4)CCN3C)[H]" xsd:string [Term] id: CHEBI:44811 name: 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine namespace: chebi_ontology def: "A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis." [] subset: 3_STAR synonym: "(2R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphapentacosan-1-aminium hydroxide inner salt 4-oxide" RELATED [ChEBI] synonym: "1-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine" RELATED [LIPID_MAPS] synonym: "1-O-hexadecyl PAF" RELATED [ChEBI] synonym: "1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine" RELATED [UniProt] synonym: "1-O-hexadecyl-2-acetyl-sn-glyceryl-3-phosphorylcholine" RELATED [ChemIDplus] synonym: "1-O-hexadecyl-2-O-acetyl-sn-glycero-3-phosophocholine" RELATED [ChemIDplus] synonym: "1-O-hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine" RELATED [ChemIDplus] synonym: "1-O-hexadecyl-platelet-activating factor" RELATED [ChemIDplus] synonym: "C16 PAF" RELATED [ChEBI] synonym: "C16-PAF" RELATED [ChEBI] synonym: "C16:0 PAF" RELATED [ChEBI] synonym: "PAF" RELATED [ChEBI] synonym: "Platelet activating factor" RELATED [ChemIDplus] synonym: "platelet-activating factor" RELATED [ChEBI] synonym: "platelet-activating factor C16" RELATED [ChemIDplus] xref: CAS:74389-68-7 {source="ChemIDplus"} xref: DrugBank:DB02261 xref: LIPID_MAPS_instance:LMGP01020046 {source="LIPID MAPS"} xref: PDBeChem:PFS xref: PMID:19075994 {source="Europe PMC"} xref: PMID:19827129 {source="Europe PMC"} xref: PMID:20431963 {source="Europe PMC"} xref: PMID:21347278 {source="Europe PMC"} xref: PMID:21804199 {source="Europe PMC"} xref: PMID:22924390 {source="Europe PMC"} xref: PMID:23169529 {source="Europe PMC"} xref: Reaxys:3574588 {source="Reaxys"} xref: Wikipedia:Platelet-activating_factor is_a: CHEBI:36707 ! 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:50141 ! bronchoconstrictor agent relationship: has_role CHEBI:50248 ! hematologic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C26H54NO7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVAUUPRFYPCOCA-AREMUKBSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "523.68320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "523.36379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O" xsd:string [Term] id: CHEBI:44884 name: pentan-1-ol namespace: chebi_ontology def: "An alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia." [] subset: 3_STAR synonym: "1-pentanol" RELATED [NIST_Chemistry_WebBook] synonym: "1-pentol" RELATED [NIST_Chemistry_WebBook] synonym: "1-pentyl alcohol" RELATED [ChemIDplus] synonym: "alcool amylique" RELATED [ChemIDplus] synonym: "amyl alcohol, normal" RELATED [ChemIDplus] synonym: "Amylalkohol" RELATED [ChEBI] synonym: "amylol" RELATED [ChemIDplus] synonym: "butylcarbinol" RELATED [ChemIDplus] synonym: "n-amyl alcohol" RELATED [ChemIDplus] synonym: "n-Amylalkohol" RELATED [ChemIDplus] synonym: "n-butylcarbinol" RELATED [NIST_Chemistry_WebBook] synonym: "n-C5H11OH" RELATED [NIST_Chemistry_WebBook] synonym: "n-pentan-1-ol" RELATED [ChemIDplus] synonym: "n-pentyl alcohol" RELATED [ChemIDplus] synonym: "pentan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "pentanol-1" RELATED [ChemIDplus] synonym: "pentyl alcohol" RELATED [ChemIDplus] synonym: "Pentylalkohol" RELATED [ChEBI] synonym: "primary amyl alcohol" RELATED [ChemIDplus] xref: Beilstein:1730975 {source="ChemIDplus"} xref: CAS:71-41-0 {source="ChemIDplus"} xref: CAS:71-41-0 {source="NIST Chemistry WebBook"} xref: Gmelin:25922 {source="Gmelin"} xref: HMDB:HMDB0013036 xref: KEGG:C16834 xref: MetaCyc:PENTANOL xref: PDBeChem:PE9 xref: PMID:16348804 {source="Europe PMC"} xref: PMID:21485271 {source="Europe PMC"} xref: PMID:8033286 {source="Europe PMC"} xref: Reaxys:1730975 {source="Reaxys"} xref: Wikipedia:1-Pentanol is_a: CHEBI:143597 ! pentanol is_a: CHEBI:157770 ! short-chain primary fatty alcohol relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMQJEAYHLZJPGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.14818" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCO" xsd:string [Term] id: CHEBI:44932 name: acepromazine namespace: chebi_ontology alt_id: CHEBI:37967 alt_id: CHEBI:44928 def: "A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10." [] subset: 3_STAR synonym: "1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE" RELATED [PDBeChem] synonym: "1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone" EXACT IUPAC_NAME [IUPAC] synonym: "10-(3-dimethylaminopropyl)phenothiazin-3-yl methyl ketone" RELATED [ChemIDplus] synonym: "10-(3-dimethylaminopropyl)phenothiazine-3-ethylone" RELATED [ChemIDplus] synonym: "acepromazine" EXACT [NIST_Chemistry_WebBook] synonym: "acetazine" RELATED [NIST_Chemistry_WebBook] synonym: "acetopromazine" RELATED [ChemIDplus] synonym: "acetylpromazine" RELATED [ChemIDplus] xref: Beilstein:40187 {source="Beilstein"} xref: CAS:61-00-7 {source="NIST Chemistry WebBook"} xref: CAS:61-00-7 {source="ChemIDplus"} xref: Drug_Central:73 {source="DrugCentral"} xref: DrugBank:DB01614 xref: HMDB:HMDB0015552 xref: KEGG:D07065 xref: LINCS:LSM-4609 xref: Patent:US4213981 xref: PDBeChem:PMZ xref: PMID:23627379 {source="Europe PMC"} xref: PMID:23642485 {source="Europe PMC"} xref: PMID:24171559 {source="Europe PMC"} xref: PMID:24575797 {source="Europe PMC"} xref: Reaxys:40187 {source="Reaxys"} xref: Wikipedia:Acepromazine is_a: CHEBI:38093 ! phenothiazines is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:51867 ! methyl ketone is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:37930 ! phenothiazine antipsychotic drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H22N2OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NOSIYYJFMPDDSA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.45686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.14528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O" xsd:string [Term] id: CHEBI:44976 name: phosphonic acid namespace: chebi_ontology alt_id: CHEBI:26067 def: "A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids." [] subset: 3_STAR synonym: "(HO)2HPO" RELATED [NIST_Chemistry_WebBook] synonym: "[PHO(OH)2]" RELATED [IUPAC] synonym: "dihydrogen hydridotrioxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PHO3" RELATED [IUPAC] synonym: "H3PO3" RELATED [ChEBI] synonym: "HPO(OH)2" RELATED [IUPAC] synonym: "hydridodihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "hydridotrioxophosphoric(2-) acid" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphite" RELATED [KEGG_COMPOUND] synonym: "Phosphonate" RELATED [KEGG_COMPOUND] synonym: "Phosphonic acid" EXACT [KEGG_COMPOUND] synonym: "phosphonic acid" EXACT [ChEBI] synonym: "Phosphonsaeure" RELATED [ChEBI] xref: CAS:13598-36-2 {source="NIST Chemistry WebBook"} xref: CAS:13598-36-2 {source="ChemIDplus"} xref: CAS:13598-36-2 {source="KEGG COMPOUND"} xref: Gmelin:1619 {source="Gmelin"} xref: KEGG:C06701 xref: PDBeChem:PHS xref: Reaxys:1209272 {source="Reaxys"} xref: Wikipedia:Phosphonic_acid is_a: CHEBI:26069 ! phosphonic acids is_a: CHEBI:33457 ! phosphorus oxoacid relationship: has_role CHEBI:24127 ! fungicide relationship: is_conjugate_acid_of CHEBI:33462 ! phosphonate(1-) relationship: is_tautomer_of CHEBI:36361 ! phosphorous acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ABLZXFCXXLZCGV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.99580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.98198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)=O" xsd:string [Term] id: CHEBI:4503 name: Dichloroacetylene namespace: chebi_ontology subset: 2_STAR synonym: "Dichloroacetylene" EXACT [KEGG_COMPOUND] xref: CAS:7572-29-4 {source="KEGG COMPOUND"} xref: KEGG:C11089 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2Cl2/c3-1-2-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMJOVJSTYLQINE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.927" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.93771" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC#CCl" xsd:string [Term] id: CHEBI:45064 name: phosphite(3-) namespace: chebi_ontology alt_id: CHEBI:29197 alt_id: CHEBI:45060 def: "A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid." [] subset: 3_STAR synonym: "[PO3](3-)" RELATED [IUPAC] synonym: "Phosphit" RELATED [ChEBI] synonym: "phosphite" RELATED [IUPAC] synonym: "PHOSPHITE ION" RELATED [PDBeChem] synonym: "PO3(3-)" RELATED [IUPAC] synonym: "trioxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxophosphate(III)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:68617 {source="Gmelin"} xref: PDBeChem:PO3 is_a: CHEBI:26045 ! phosphite ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:29259 ! hydrogenphosphite property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O3P/c1-4(2)3/q-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQSJGOWTSHOLKH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.97196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.96015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])[O-]" xsd:string [Term] id: CHEBI:4510 name: diclofop-methyl namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-diclofop-methyl. A proherbicide for diclofop, it is used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops." [] subset: 3_STAR synonym: "(+-)-diclofop-methyl" RELATED [ChemIDplus] synonym: "(RS)-diclofop-methyl" RELATED [ChEBI] synonym: "dichlorfop-methyl" RELATED [ChemIDplus] synonym: "diclofop methyl" RELATED [KEGG_COMPOUND] synonym: "diclofop methyl ester" RELATED [ChemIDplus] synonym: "HOE 23408" RELATED [ChemIDplus] synonym: "HOE-23408" RELATED [ChEBI] synonym: "Hoegrass" RELATED BRAND_NAME [ChemIDplus] synonym: "Hoelon" RELATED BRAND_NAME [ChemIDplus] synonym: "Illoxan" RELATED BRAND_NAME [ChemIDplus] synonym: "methyldiclofop" RELATED [ChemIDplus] synonym: "rac-methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND605810753 {source="Europe PMC"} xref: CAS:51338-27-3 {source="ChemIDplus"} xref: CAS:51338-27-3 {source="NIST Chemistry WebBook"} xref: DrugBank:DB13918 xref: KEGG:C11021 xref: Pesticides:diclofop-methyl {source="Alan Wood's Pesticides"} xref: PMID:25307187 {source="Europe PMC"} xref: PMID:26501920 {source="Europe PMC"} xref: PMID:28115148 {source="Europe PMC"} xref: PMID:29626997 {source="Europe PMC"} xref: PMID:31352076 {source="Europe PMC"} xref: PMID:31524045 {source="Europe PMC"} xref: PPDB:221 xref: Reaxys:2224754 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_functional_parent CHEBI:81909 ! diclofop relationship: has_part CHEBI:145413 ! (R)-diclofop-methyl relationship: has_part CHEBI:145414 ! (S)-diclofop-methyl relationship: has_role CHEBI:136646 ! proherbicide relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "341.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.02691" xsd:string [Term] id: CHEBI:45133 name: pivalic acid namespace: chebi_ontology alt_id: CHEBI:35815 alt_id: CHEBI:45132 def: "A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position." [] subset: 3_STAR synonym: "2,2-dimethylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-dimethylpropionic acid" RELATED [ChemIDplus] synonym: "acide 2,2-dimethylpropanoique" RELATED [ChEBI] synonym: "acide pivalique" RELATED [ChEBI] synonym: "acido pivalico" RELATED [ChEBI] synonym: "alpha,alpha-dimethylpropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "dimethylpropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "neopentanoic acid" RELATED [ChemIDplus] synonym: "PIVALIC ACID" EXACT [PDBeChem] synonym: "Pivalinsaeure" RELATED [ChEBI] synonym: "tert-pentanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "trimethylacetic acid" RELATED [ChemIDplus] xref: Beilstein:969480 {source="Beilstein"} xref: CAS:75-98-9 {source="ChemIDplus"} xref: CAS:75-98-9 {source="NIST Chemistry WebBook"} xref: Gmelin:82375 {source="Gmelin"} xref: HMDB:HMDB0041992 xref: LIPID_MAPS_instance:LMFA01020073 {source="LIPID MAPS"} xref: PDBeChem:PIV xref: PMID:16430936 {source="Europe PMC"} xref: PMID:17724113 {source="Europe PMC"} xref: PMID:21509470 {source="Europe PMC"} xref: PMID:22566287 {source="Europe PMC"} xref: PMID:22790609 {source="Europe PMC"} xref: Reaxys:969480 {source="Reaxys"} xref: Wikipedia:Pivalic_acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39417 ! branched-chain saturated fatty acid is_a: CHEBI:62499 ! methyl-branched fatty acid relationship: is_conjugate_acid_of CHEBI:63894 ! pivalate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUGYQRQAERSCNH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(O)=O" xsd:string [Term] id: CHEBI:45212 name: diphosphate(2-) namespace: chebi_ontology alt_id: CHEBI:33018 alt_id: CHEBI:45208 def: "A divalent inorganic anion obtained by removal of both protons from diphosphoric acid." [] subset: 3_STAR synonym: "dihydrogen diphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "H2P2O7(2-)" RELATED [IUPAC] synonym: "PYROPHOSPHATE 2-" RELATED [PDBeChem] xref: DrugBank:DB02212 xref: Gmelin:185085 {source="Gmelin"} xref: PDBeChem:POP is_a: CHEBI:35782 ! diphosphate ion is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_acid_of CHEBI:33019 ! diphosphate(3-) relationship: is_conjugate_base_of CHEBI:33017 ! diphosphate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPPKVPWEQAFLFU-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.95920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.92867" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])(=O)OP(O)([O-])=O" xsd:string [Term] id: CHEBI:45373 name: sulfanilamide namespace: chebi_ontology alt_id: CHEBI:45370 alt_id: CHEBI:9333 def: "A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position." [] subset: 3_STAR synonym: "4-aminobenzene sulfonic acid amide" RELATED [ChEBI] synonym: "4-aminobenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-azanylbenzenesulfonamide" RELATED [IUPAC] synonym: "p-aminobenzenesulfamide" RELATED [NIST_Chemistry_WebBook] synonym: "p-aminobenzenesulfonamide" RELATED [NIST_Chemistry_WebBook] synonym: "para-aminobenzenesulfonamide" RELATED [ChEBI] synonym: "Prontosil album" RELATED [KEGG_COMPOUND] synonym: "SA" RELATED [ChEBI] synonym: "Streptocide" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfamine" RELATED [KEGG_COMPOUND] synonym: "sulfamine" RELATED [NIST_Chemistry_WebBook] synonym: "SULFANILAMIDE" EXACT [PDBeChem] synonym: "Sulfanilamide" EXACT [KEGG_COMPOUND] synonym: "sulphanilamide" RELATED [ChEBI] xref: Beilstein:511852 {source="Beilstein"} xref: CAS:63-74-1 {source="NIST Chemistry WebBook"} xref: CAS:63-74-1 {source="KEGG COMPOUND"} xref: CAS:63-74-1 {source="ChemIDplus"} xref: Drug_Central:2521 {source="DrugCentral"} xref: DrugBank:DB00259 xref: Gmelin:83068 {source="Gmelin"} xref: HMDB:HMDB0014404 xref: KEGG:C07458 xref: KEGG:D08543 xref: LINCS:LSM-6524 xref: PDBeChem:SAN xref: PMID:22214209 {source="Europe PMC"} xref: PMID:22342371 {source="Europe PMC"} xref: PMID:22974493 {source="Europe PMC"} xref: PMID:23061287 {source="Europe PMC"} xref: PMID:23065453 {source="Europe PMC"} xref: PMID:23122138 {source="Europe PMC"} xref: PMID:23294218 {source="Europe PMC"} xref: PMID:23476893 {source="Europe PMC"} xref: PMID:23561569 {source="Europe PMC"} xref: PMID:2420897 {source="Europe PMC"} xref: PMID:9639594 {source="Europe PMC"} xref: Reaxys:511852 {source="Reaxys"} xref: VSDB:1924 xref: Wikipedia:Sulfanilamide is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_role CHEBI:23018 ! EC 4.2.1.1 (carbonic anhydrase) inhibitor relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FDDDEECHVMSUSB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.20600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.03065" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S(N)(=O)=O" xsd:string [Term] id: CHEBI:45379 name: methylcarbamic acid namespace: chebi_ontology alt_id: CHEBI:38464 alt_id: CHEBI:45374 def: "An amino acid consisting of carbamic acid having an N-methyl substituent." [] subset: 3_STAR synonym: "methylcarbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Methylcarbamidsaeure" RELATED [ChEBI] synonym: "N-methylcarbamic acid" RELATED [ChEBI] xref: Beilstein:1738994 {source="Beilstein"} xref: CAS:6414-57-9 {source="ChemIDplus"} xref: PDBeChem:RGI xref: PMID:13663920 {source="Europe PMC"} xref: PMID:18491873 {source="Europe PMC"} xref: PMID:21311787 {source="Europe PMC"} xref: PMID:21687849 {source="Europe PMC"} xref: PMID:22382393 {source="Europe PMC"} xref: PMID:28083911 {source="Europe PMC"} xref: PMID:33146910 {source="Europe PMC"} xref: Reaxys:1738994 {source="Reaxys"} is_a: CHEBI:33709 ! amino acid relationship: has_functional_parent CHEBI:28616 ! carbamic acid relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:193111 ! methylcarbamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFEJKYYYVXYMMS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(O)=O" xsd:string [Term] id: CHEBI:45409 name: ritonavir namespace: chebi_ontology alt_id: CHEBI:8873 def: "An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver." [] subset: 3_STAR synonym: "N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide" EXACT IUPAC_NAME [IUPAC] synonym: "ritonavir" RELATED INN [ChemIDplus] xref: CAS:155213-67-5 {source="KEGG COMPOUND"} xref: CAS:155213-67-5 {source="ChemIDplus"} xref: Drug_Central:2391 {source="DrugCentral"} xref: HMDB:HMDB0014646 xref: KEGG:C07240 xref: KEGG:D00427 xref: LINCS:LSM-5623 xref: PDBeChem:RIT xref: PMID:11363086 {source="Europe PMC"} xref: PMID:11363184 {source="Europe PMC"} xref: PMID:11363300 {source="Europe PMC"} xref: PMID:11363329 {source="Europe PMC"} xref: PMID:11363397 {source="Europe PMC"} xref: PMID:11363517 {source="Europe PMC"} xref: PMID:11996889 {source="Europe PMC"} xref: PMID:24202050 {source="Europe PMC"} xref: PMID:8568292 {source="Europe PMC"} xref: PMID:9140265 {source="Europe PMC"} xref: PMID:9278209 {source="Europe PMC"} xref: PMID:9585800 {source="Europe PMC"} xref: Reaxys:768009 {source="Reaxys"} xref: Wikipedia:Ritonavir is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:47857 ! ureas is_a: CHEBI:84129 ! L-valine derivative relationship: has_role CHEBI:35660 ! HIV protease inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36044 ! antiviral drug relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H48N6O5S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCDNCNXCDXHOMX-XGKFQTDJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "720.94400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "720.31276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1" xsd:string [Term] id: CHEBI:45525 name: (R)-2-methylbutyric acid namespace: chebi_ontology alt_id: CHEBI:38654 alt_id: CHEBI:45523 def: "The (R)-enantiomer of 2-methylbutanoic acid." [] subset: 3_STAR synonym: "(2R)-2-methylbutanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-methylbutyric acid" RELATED [ChEBI] synonym: "2-METHYLBUTANOIC ACID" RELATED [PDBeChem] xref: Beilstein:1720484 {source="Beilstein"} xref: Gmelin:1041646 {source="Gmelin"} xref: PDBeChem:SMB xref: PMID:2026560 {source="Europe PMC"} is_a: CHEBI:37070 ! 2-methylbutyric acid relationship: is_enantiomer_of CHEBI:38655 ! (S)-2-methylbutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLAMNBDJUVNPJU-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@H](C)C(O)=O" xsd:string [Term] id: CHEBI:45571 name: heptanoic acid namespace: chebi_ontology alt_id: CHEBI:24519 alt_id: CHEBI:45568 def: "A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes." [] subset: 3_STAR synonym: "CH3-[CH2]5-COOH" RELATED [IUPAC] synonym: "enanthic acid" RELATED [NIST_Chemistry_WebBook] synonym: "enanthylic acid" RELATED [ChemIDplus] synonym: "HEPTANOIC ACID" EXACT [PDBeChem] synonym: "heptanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Heptansaeure" RELATED [ChEBI] synonym: "heptoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "heptylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-heptanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-heptoic acid" RELATED [ChemIDplus] synonym: "n-heptylic acid" RELATED [ChemIDplus] synonym: "oenanthic acid" RELATED [ChemIDplus] synonym: "Oenanthsaeure" RELATED [ChemIDplus] synonym: "oenanthylic acid" RELATED [ChemIDplus] xref: Beilstein:1744723 {source="Beilstein"} xref: CAS:111-14-8 {source="ChemIDplus"} xref: CAS:111-14-8 {source="NIST Chemistry WebBook"} xref: CAS:111-14-8 {source="KEGG COMPOUND"} xref: DrugBank:DB02938 xref: Gmelin:142428 {source="Gmelin"} xref: HMDB:HMDB0000666 xref: KEGG:C17714 xref: LIPID_MAPS_instance:LMFA01010007 {source="LIPID MAPS"} xref: MetaCyc:CPD-7619 xref: PDBeChem:SHV xref: PMID:23999410 {source="Europe PMC"} xref: Reaxys:1744723 {source="Reaxys"} xref: Wikipedia:Heptanoic_acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid is_a: CHEBI:59554 ! medium-chain fatty acid relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:32362 ! heptanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MNWFXJYAOYHMED-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.18486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCC(O)=O" xsd:string [Term] id: CHEBI:45599 name: dodecyl hydrogen sulfate namespace: chebi_ontology alt_id: CHEBI:32953 alt_id: CHEBI:45595 subset: 3_STAR synonym: "dodecyl hydrogen sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "DODECYL SULFATE" RELATED [PDBeChem] synonym: "lauryl sulfuric acid" RELATED [ChemIDplus] synonym: "monododecyl hydrogen sulfate" RELATED [ChemIDplus] synonym: "sulfuric acid, monododecyl ester" RELATED [ChemIDplus] xref: Beilstein:1710530 {source="ChemIDplus"} xref: CAS:151-41-7 {source="ChemIDplus"} xref: Gmelin:220505 {source="Gmelin"} xref: PDBeChem:SDS is_a: CHEBI:29281 ! alkyl sulfate relationship: is_conjugate_acid_of CHEBI:23872 ! dodecyl sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H26O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MOTZDAYCYVMXPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.39844" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.15518" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCOS(O)(=O)=O" xsd:string [Term] id: CHEBI:45696 name: hydrogensulfate namespace: chebi_ontology alt_id: CHEBI:29199 alt_id: CHEBI:45693 subset: 3_STAR synonym: "[SO3(OH)](-)" RELATED [IUPAC] synonym: "HSO4(-)" RELATED [IUPAC] synonym: "HYDROGEN SULFATE" RELATED [PDBeChem] synonym: "hydrogen(tetraoxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfate" EXACT [IUPAC] synonym: "hydrogensulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogentetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:2121 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:26836 ! sulfuric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.07154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS([O-])(=O)=O" xsd:string [Term] id: CHEBI:45863 name: paclitaxel namespace: chebi_ontology alt_id: CHEBI:45862 alt_id: CHEBI:7887 def: "A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark." [] subset: 3_STAR synonym: "(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester" RELATED [ChemIDplus] synonym: "4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine" RELATED [ChemIDplus] synonym: "Paclitaxel" EXACT [KEGG_COMPOUND] synonym: "TAXOL" RELATED [PDBeChem] synonym: "taxol" RELATED [UniProt] synonym: "Taxol A" RELATED [ChemIDplus] xref: CAS:33069-62-4 {source="ChemIDplus"} xref: CAS:33069-62-4 {source="KEGG COMPOUND"} xref: Drug_Central:2044 {source="DrugCentral"} xref: DrugBank:DB01229 xref: KEGG:C07394 xref: KEGG:D00491 xref: KNApSAcK:C00002365 xref: PDBeChem:TA1 xref: Wikipedia:Paclitaxel is_a: CHEBI:50367 ! taxane diterpenoid is_a: CHEBI:52557 ! tetracyclic diterpenoid relationship: has_functional_parent CHEBI:32898 ! baccatin III relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:61950 ! microtubule-stabilising agent relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C47H51NO14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RCINICONZNJXQF-MZXODVADSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "853.90618" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "853.33096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C" xsd:string [Term] id: CHEBI:45895 name: tert-butanol namespace: chebi_ontology alt_id: CHEBI:26877 alt_id: CHEBI:45893 def: "A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2." [] subset: 3_STAR synonym: "(CH3)3C-OH" RELATED [IUPAC] synonym: "1,1-dimethylethanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylpropan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "t-butanol" RELATED [NIST_Chemistry_WebBook] synonym: "t-butyl alchohol" RELATED [NIST_Chemistry_WebBook] synonym: "t-Butylalkohol" RELATED [ChEBI] synonym: "tert-butanol" EXACT [NIST_Chemistry_WebBook] synonym: "tert-butanol" EXACT [UniProt] synonym: "tert-butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "TERTIARY-BUTYL ALCOHOL" RELATED [PDBeChem] synonym: "trimethylcarbinol" RELATED [NIST_Chemistry_WebBook] synonym: "trimethylmethanol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:906698 {source="Beilstein"} xref: CAS:75-65-0 {source="NIST Chemistry WebBook"} xref: CAS:75-65-0 {source="ChemIDplus"} xref: Gmelin:1833 {source="Gmelin"} xref: HMDB:HMDB0031456 xref: PDBeChem:TBU xref: PMID:11409007 {source="Europe PMC"} xref: PMID:11452135 {source="Europe PMC"} xref: Reaxys:906698 {source="Reaxys"} xref: UM-BBD_compID:c0516 {source="UM-BBD"} xref: Wikipedia:Tert-Butyl_alcohol is_a: CHEBI:26878 ! tertiary alcohol relationship: has_parent_hydride CHEBI:30363 ! isobutane relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKGAVHZHDRPRBM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)O" xsd:string [Term] id: CHEBI:45924 name: trimethoprim namespace: chebi_ontology alt_id: CHEBI:45921 alt_id: CHEBI:9731 def: "An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge." [] subset: 3_STAR synonym: "2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine" RELATED [NIST_Chemistry_WebBook] synonym: "Proloprim" RELATED [ChemIDplus] synonym: "TRIMETHOPRIM" EXACT [PDBeChem] synonym: "Trimethoprim" EXACT [KEGG_COMPOUND] synonym: "Trimpex" RELATED [ChemIDplus] xref: Beilstein:625127 {source="Beilstein"} xref: CAS:738-70-5 {source="ChemIDplus"} xref: CAS:738-70-5 {source="NIST Chemistry WebBook"} xref: CAS:738-70-5 {source="KEGG COMPOUND"} xref: Drug_Central:2755 {source="DrugCentral"} xref: DrugBank:DB00440 xref: Gmelin:808843 {source="Gmelin"} xref: HMDB:HMDB0014583 xref: KEGG:C01965 xref: KEGG:D00145 xref: LINCS:LSM-5246 xref: PDBeChem:TOP xref: PMID:10423629 {source="Europe PMC"} xref: PMID:10969053 {source="Europe PMC"} xref: PMID:11051625 {source="Europe PMC"} xref: PMID:14629008 {source="Europe PMC"} xref: PMID:15203044 {source="Europe PMC"} xref: PMID:16311012 {source="Europe PMC"} xref: PMID:18816075 {source="Europe PMC"} xref: PMID:25111783 {source="Europe PMC"} xref: PMID:25361939 {source="Europe PMC"} xref: PMID:26546758 {source="Europe PMC"} xref: PMID:26566149 {source="Europe PMC"} xref: PMID:26942256 {source="Europe PMC"} xref: PMID:26987772 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: PMID:8911701 {source="Europe PMC"} xref: Reaxys:625127 {source="Reaxys"} xref: VSDB:1745 xref: Wikipedia:Trimethoprim is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:51683 ! methoxybenzenes relationship: has_role CHEBI:35498 ! diuretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:50683 ! EC 1.5.1.3 (dihydrofolate reductase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H18N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IEDVJHCEMCRBQM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.13789" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(CC=2C(=NC(N)=NC2)N)C=C(C(OC)=C(C1)OC)OC" xsd:string [Term] id: CHEBI:45979 name: thiabendazole namespace: chebi_ontology alt_id: CHEBI:45977 alt_id: CHEBI:9526 def: "A member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium." [] comment: LanguaL term definition: Food additive; technological purpose(s): preservative. subset: 3_STAR synonym: "2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE" RELATED [PDBeChem] synonym: "2-(1,3-thiazol-4-yl)-1H-benzimidazole" EXACT IUPAC_NAME [IUPAC] synonym: "2-(1,3-thiazol-4-yl)benzimidazole" RELATED [Alan_Wood's_Pesticides] synonym: "2-(4-thiazolyl)-1H-benzimidazole" RELATED [Alan_Wood's_Pesticides] synonym: "2-(thiazol-4-yl)benzimidazole" RELATED [Alan_Wood's_Pesticides] synonym: "4-(2-benzimidazolyl)thiazole" RELATED [ChemIDplus] synonym: "Equizole" RELATED BRAND_NAME [ChemIDplus] synonym: "Mintezol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "MK 360" RELATED [ChemIDplus] synonym: "TBZ" RELATED [ChemIDplus] synonym: "Thiabendazole" EXACT [KEGG_COMPOUND] synonym: "Thibenzole" RELATED BRAND_NAME [ChemIDplus] synonym: "Tiabendazole" RELATED [KEGG_COMPOUND] xref: Beilstein:611403 {source="Beilstein"} xref: CAS:148-79-8 {source="ChemIDplus"} xref: CAS:148-79-8 {source="NIST Chemistry WebBook"} xref: Codex:\:233 xref: Drug_Central:2621 {source="DrugCentral"} xref: DrugBank:DB00730 xref: Europe:\:233 xref: HMDB:HMDB0014868 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3307 xref: KEGG:D00372 xref: LINCS:LSM-3741 xref: MetaCyc:THIABENDAZOLE xref: Patent:US3017415 xref: PDBeChem:TMG xref: Pesticides:thiabendazole {source="Alan Wood's Pesticides"} xref: PMID:11226373 {source="Europe PMC"} xref: PMID:13900465 {source="Europe PMC"} xref: PMID:23790859 {source="Europe PMC"} xref: PMID:9009055 {source="Europe PMC"} xref: PPDB:629 xref: Reaxys:611403 {source="Reaxys"} xref: VSDB:629 xref: Wikipedia:Thiabendazole is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:87036 ! benzimidazole fungicide relationship: has_parent_hydride CHEBI:41275 ! 1H-benzimidazole relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H7N3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJCNZQLZVWNLKY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "201.24800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.03607" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc(cs1)-c1nc2ccccc2[nH]1" xsd:string property_value: IAO:0000118 "thiabendazole" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:45993 name: benzothiazole namespace: chebi_ontology def: "An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles." [] subset: 3_STAR synonym: "1,3-benzothiazole" EXACT IUPAC_NAME [IUPAC] synonym: "1-Thia-3-azaindene" RELATED [ChemIDplus] synonym: "Benzosulfonazole" RELATED [ChemIDplus] synonym: "Benzothiazol" RELATED [NIST_Chemistry_WebBook] synonym: "BENZOTHIAZOLE" EXACT [PDBeChem] synonym: "BT" RELATED [ChEBI] xref: Beilstein:109468 {source="Beilstein"} xref: CAS:95-16-9 {source="NIST Chemistry WebBook"} xref: CAS:95-16-9 {source="ChemIDplus"} xref: DrugBank:DB08624 xref: HMDB:HMDB0032930 xref: PDBeChem:THZ xref: PMID:15750776 {source="Europe PMC"} xref: PMID:18568896 {source="Europe PMC"} xref: PMID:23500410 {source="Europe PMC"} xref: PMID:24248888 {source="Europe PMC"} xref: Reaxys:109468 {source="Reaxys"} xref: UM-BBD_compID:c1128 {source="UM-BBD"} xref: Wikipedia:Benzothiazole is_a: CHEBI:37947 ! benzothiazoles relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IOJUPLGTWVMSFF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "135.18734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.01427" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2scnc2c1" xsd:string [Term] id: CHEBI:46024 name: trichostatin A namespace: chebi_ontology alt_id: CHEBI:39145 alt_id: CHEBI:46022 subset: 3_STAR synonym: "(2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide" RELATED [ChemIDplus] synonym: "(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide" EXACT IUPAC_NAME [IUPAC] synonym: "TRICHOSTATIN A" EXACT [PDBeChem] synonym: "TSA" RELATED [ChemIDplus] xref: Beilstein:5291761 {source="Beilstein"} xref: CAS:58880-19-6 {source="ChemIDplus"} xref: DrugBank:DB04297 xref: HMDB:HMDB0259177 xref: KNApSAcK:C00016002 xref: PDBeChem:TSN xref: PMID:10490031 {source="Europe PMC"} xref: PMID:15346199 {source="Europe PMC"} xref: PMID:16010430 {source="Europe PMC"} xref: PMID:18285338 {source="Europe PMC"} xref: PMID:19038231 {source="Europe PMC"} xref: PMID:21504214 {source="Europe PMC"} xref: PMID:25075551 {source="Europe PMC"} xref: PMID:27454931 {source="Europe PMC"} xref: PMID:30395713 {source="Europe PMC"} xref: PMID:31755702 {source="Europe PMC"} xref: PMID:32880591 {source="Europe PMC"} xref: PMID:33983895 {source="Europe PMC"} xref: PMID:34086940 {source="Europe PMC"} xref: Wikipedia:Trichostatin_A is_a: CHEBI:24650 ! hydroxamic acid is_a: CHEBI:39146 ! trichostatin is_a: CHEBI:86478 ! antibiotic antifungal agent relationship: has_functional_parent CHEBI:39158 ! (R)-trichostatic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H22N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTKIYFITIVXBLE-QEQCGCAPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.36826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.16304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](C(=O)c1ccc(cc1)N(C)C)\\C=C(C)\\C=C\\C(=O)NO" xsd:string [Term] id: CHEBI:46053 name: 2,4,6-trinitrotoluene namespace: chebi_ontology alt_id: CHEBI:19337 alt_id: CHEBI:46051 def: "A trinitrotoluene having the nitro groups at positions 2, 4 and 6." [] subset: 3_STAR synonym: "1-methyl-2,4,6-trinitrobenzene" RELATED [ChemIDplus] synonym: "2,4,6-TNT" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,6-Trinitrotoluene" EXACT [KEGG_COMPOUND] synonym: "2,4,6-trinitrotoluene" EXACT [PDBeChem] synonym: "2,4,6-Trinitrotoluol" RELATED [ChemIDplus] synonym: "2-methyl-1,3,5-trinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-TNT" RELATED [NIST_Chemistry_WebBook] synonym: "s-trinitrotoluene" RELATED [ChemIDplus] synonym: "s-Trinitrotoluol" RELATED [ChemIDplus] synonym: "sym-Trinitrotoluol" RELATED [ChemIDplus] synonym: "TNT" RELATED [ChemIDplus] synonym: "Trinitrotoluen" RELATED [ChEBI] synonym: "trinitrotoluene" RELATED [NIST_Chemistry_WebBook] synonym: "Trinitrotoluol" RELATED [ChEBI] synonym: "Tritol" RELATED [ChemIDplus] synonym: "Trotyl" RELATED [ChemIDplus] xref: Beilstein:1887900 {source="Beilstein"} xref: CAS:118-96-7 {source="ChemIDplus"} xref: CAS:118-96-7 {source="NIST Chemistry WebBook"} xref: CAS:118-96-7 {source="KEGG COMPOUND"} xref: DrugBank:DB01676 xref: KEGG:C16391 xref: PDBeChem:TNL xref: PMID:19427119 {source="Europe PMC"} xref: PMID:20219247 {source="Europe PMC"} xref: PMID:28845964 {source="Europe PMC"} xref: Reaxys:1887900 {source="Reaxys"} xref: Wikipedia:Trinitrotoluene is_a: CHEBI:27135 ! trinitrotoluene relationship: has_functional_parent CHEBI:48113 ! 1,3,5-trinitrobenzene relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5N3O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPSSULHKWOKEEL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.13110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.01783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:46077 name: 4H-1,2,4-triazole namespace: chebi_ontology alt_id: CHEBI:35548 alt_id: CHEBI:46076 subset: 3_STAR synonym: "1,2,4-TRIAZOLE" RELATED [PDBeChem] synonym: "4H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:605619 {source="Beilstein"} xref: CAS:63598-71-0 {source="NIST Chemistry WebBook"} xref: CAS:63598-71-0 {source="ChemIDplus"} xref: Gmelin:323206 {source="Gmelin"} xref: PDBeChem:TRI is_a: CHEBI:35560 ! 1,2,4-triazole relationship: is_tautomer_of CHEBI:35550 ! 1H-1,2,4-triazole relationship: is_tautomer_of CHEBI:35561 ! 3H-1,2,4-triazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSPMIYGKQJPBQR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.06544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nnc[nH]1" xsd:string [Term] id: CHEBI:46081 name: fluconazole namespace: chebi_ontology alt_id: CHEBI:46079 alt_id: CHEBI:5099 def: "A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis." [] subset: 3_STAR synonym: "2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol" RELATED [ChemIDplus] synonym: "2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL" RELATED [PDBeChem] synonym: "Biozole" RELATED BRAND_NAME [ChEBI] synonym: "Diflucan" RELATED BRAND_NAME [ChEBI] synonym: "Elazor" RELATED [ChemIDplus] synonym: "fluconazol" RELATED INN [ChemIDplus] synonym: "fluconazole" EXACT [UniProt] synonym: "fluconazole" RELATED INN [ChemIDplus] synonym: "fluconazole" RELATED INN [WHO_MedNet] synonym: "fluconazolum" RELATED INN [ChemIDplus] synonym: "Triflucan" RELATED BRAND_NAME [ChEBI] xref: Beilstein:4269710 {source="Beilstein"} xref: CAS:86386-73-4 {source="ChemIDplus"} xref: Drug_Central:1187 {source="DrugCentral"} xref: DrugBank:DB00196 xref: HMDB:HMDB0014342 xref: KEGG:D00322 xref: LINCS:LSM-2106 xref: Patent:GB2099818 xref: Patent:US4404216 xref: PDBeChem:TPF xref: PMID:11366931 {source="Europe PMC"} xref: PMID:16822276 {source="Europe PMC"} xref: PMID:23171950 {source="Europe PMC"} xref: PMID:23793863 {source="Europe PMC"} xref: Reaxys:7311650 {source="Reaxys"} xref: Wikipedia:Fluconazole is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:38582 ! difluorobenzene is_a: CHEBI:87071 ! conazole antifungal drug is_a: CHEBI:87101 ! triazole antifungal drug relationship: has_functional_parent CHEBI:38584 ! 1,3-difluorobenzene relationship: has_parent_hydride CHEBI:35550 ! 1H-1,2,4-triazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50183 ! P450 inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H12F2N6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RFHAOTPXVQNOHP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.27080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.10407" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F" xsd:string [Term] id: CHEBI:4609 name: Dimethyl phthalate namespace: chebi_ontology subset: 2_STAR synonym: "Dimethyl phthalate" EXACT [KEGG_COMPOUND] synonym: "dimethyl phthalate" EXACT [DrugCentral] xref: CAS:131-11-3 {source="KEGG COMPOUND"} xref: Drug_Central:4771 {source="DrugCentral"} xref: KEGG:C11233 xref: PPDB:2989 xref: VSDB:2989 is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:35484 ! phthalate ester is_a: CHEBI:51307 ! diester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIQCNGHVCWTJSM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)c1ccccc1C(=O)OC" xsd:string [Term] id: CHEBI:46149 name: picric acid namespace: chebi_ontology alt_id: CHEBI:32972 alt_id: CHEBI:46148 def: "A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions." [] subset: 3_STAR synonym: "2,4,6-trinitrophenol" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxy-1,3,5-trinitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "acide picrique" RELATED [ChemIDplus] synonym: "C.I. 10305" RELATED [ChemIDplus] synonym: "CI 10305" RELATED [ChemIDplus] synonym: "PICRIC ACID" EXACT [PDBeChem] synonym: "Pikrinsaeure" RELATED [ChemIDplus] synonym: "TNP" RELATED [ChEBI] xref: Beilstein:423400 {source="Beilstein"} xref: CAS:88-89-1 {source="ChemIDplus"} xref: CAS:88-89-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:4626 {source="DrugCentral"} xref: DrugBank:DB03651 xref: Gmelin:5312 {source="Gmelin"} xref: MetaCyc:CPD-17566 xref: PDBeChem:TNF xref: PMID:9317162 {source="Europe PMC"} xref: Reaxys:423400 {source="Reaxys"} xref: Wikipedia:Picric_acid is_a: CHEBI:35716 ! C-nitro compound relationship: has_functional_parent CHEBI:15882 ! phenol relationship: has_functional_parent CHEBI:48113 ! 1,3,5-trinitrobenzene relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:50913 ! fixative relationship: has_role CHEBI:63490 ! explosive relationship: is_conjugate_acid_of CHEBI:86297 ! picrate anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3N3O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OXNIZHLAWKMVMX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.10390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.99710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:46195 name: paracetamol namespace: chebi_ontology alt_id: CHEBI:2386 alt_id: CHEBI:46191 def: "A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group." [] subset: 3_STAR synonym: "4'-hydroxyacetanilide" RELATED [ChemIDplus] synonym: "4-(Acetylamino)phenol" RELATED [ChemIDplus] synonym: "4-acetamidophenol" RELATED [NIST_Chemistry_WebBook] synonym: "4-acetamidophenol" RELATED [UniProt] synonym: "Acenol" RELATED [ChemIDplus] synonym: "Acetaminofen" RELATED [ChemIDplus] synonym: "acetaminofen" RELATED [ChemIDplus] synonym: "Acetaminophen" RELATED [KEGG_COMPOUND] synonym: "acetaminophene" RELATED [ChEBI] synonym: "APAP" RELATED [DrugBank] synonym: "N-(4-hydroxyphenyl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-acetyl-p-aminophenol" RELATED [ChEBI] synonym: "p-acetamidophenol" RELATED [NIST_Chemistry_WebBook] synonym: "p-acetaminophenol" RELATED [NIST_Chemistry_WebBook] synonym: "p-Acetylaminophenol" RELATED [ChemIDplus] synonym: "p-hydroxyacetanilide" RELATED [NIST_Chemistry_WebBook] synonym: "p-hydroxyphenolacetamide" RELATED [NIST_Chemistry_WebBook] synonym: "Panadol" RELATED BRAND_NAME [ChEBI] synonym: "Paracetamol" EXACT [KEGG_COMPOUND] synonym: "paracetamol" RELATED INN [KEGG_DRUG] synonym: "paracetamol" RELATED INN [WHO_MedNet] synonym: "paracetamolum" RELATED INN [ChemIDplus] synonym: "Tylenol" RELATED BRAND_NAME [KEGG_DRUG] xref: Beilstein:2208089 {source="Beilstein"} xref: CAS:103-90-2 {source="KEGG COMPOUND"} xref: CAS:103-90-2 {source="ChemIDplus"} xref: CAS:103-90-2 {source="NIST Chemistry WebBook"} xref: Chemspider:1906 xref: Drug_Central:52 {source="DrugCentral"} xref: DrugBank:DB00316 xref: HMDB:HMDB0001859 xref: KEGG:C06804 xref: KEGG:D00217 xref: LINCS:LSM-5533 xref: MetaCyc:CPD-7669 xref: PDBeChem:TYL xref: PMID:11084378 {source="Europe PMC"} xref: PMID:11304127 {source="Europe PMC"} xref: PMID:16716555 {source="Europe PMC"} xref: PMID:18953082 {source="Europe PMC"} xref: PMID:21108564 {source="Europe PMC"} xref: PMID:22114686 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:25128677 {source="Europe PMC"} xref: PMID:25962350 {source="Europe PMC"} xref: PMID:27320817 {source="Europe PMC"} xref: PMID:28734939 {source="Europe PMC"} xref: PMID:29398597 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: Reaxys:2208089 {source="Reaxys"} xref: Wikipedia:Acetaminophen is_a: CHEBI:22160 ! acetamides is_a: CHEBI:33853 ! phenols relationship: has_functional_parent CHEBI:17602 ! 4-aminophenol relationship: has_role CHEBI:173085 ! ferroptosis inducer relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:73263 ! cyclooxygenase 3 inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:85234 ! human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZVAJINKPMORJF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.16260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Nc1ccc(O)cc1" xsd:string [Term] id: CHEBI:46209 name: L-tyrosinal namespace: chebi_ontology alt_id: CHEBI:46188 def: "An amino aldehyde that is L-tyrosine in which the carboxy group has undergone formal redution to give the corrresponding aldehyde" [] subset: 3_STAR synonym: "(2S)-2-amino-3-(4-hydroxyphenyl)propanal" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-amino-3-(p-hydroxyphenyl)propanal" RELATED [ChEBI] synonym: "L-tyr aldehyde" RELATED [ChEBI] synonym: "TYROSINAL" RELATED [PDBeChem] xref: MetaCyc:CPD-21526 xref: PDBeChem:TYB xref: PMID:23281040 {source="Europe PMC"} is_a: CHEBI:22492 ! amino aldehyde is_a: CHEBI:33853 ! phenols is_a: CHEBI:50994 ! primary amino compound relationship: is_conjugate_base_of CHEBI:141668 ! L-tyrosinal(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,6,8,12H,5,10H2/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DXGAIOIQACHYRK-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C[C@@H](N)CC=1C=CC(=CC1)O" xsd:string [Term] id: CHEBI:46245 name: coenzyme Q10 def: "A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration." [] is_a: CHEBI:16389 ! ubiquinones property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46261 name: N-phenylthiourea namespace: chebi_ontology def: "A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing." [] subset: 3_STAR synonym: "1-phenyl-2-thiourea" RELATED [ChemIDplus] synonym: "1-phenylthiourea" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-phenylthiourea" RELATED [NIST_Chemistry_WebBook] synonym: "monophenyl thiourea" RELATED [ChEBI] synonym: "phenyl-2-thiourea" RELATED [NIST_Chemistry_WebBook] synonym: "phenylthiocarbamide" RELATED [ChemIDplus] synonym: "phenylthiourea" RELATED [ChemIDplus] synonym: "PhNHC(=S)NH2" RELATED [ChEBI] synonym: "PhNHC(S)NH2" RELATED [ChEBI] synonym: "PhNHCSNH2" RELATED [ChEBI] synonym: "PTC" RELATED [ChEBI] synonym: "PTU" RELATED [ChemIDplus] xref: CAS:103-85-5 {source="ChemIDplus"} xref: CAS:103-85-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB03694 xref: MetaCyc:CPD-7084 xref: PDBeChem:URS xref: PMID:13914407 {source="Europe PMC"} xref: PMID:20484932 {source="Europe PMC"} xref: PMID:21534859 {source="Europe PMC"} xref: PMID:22656649 {source="Europe PMC"} xref: PMID:22690050 {source="Europe PMC"} xref: PMID:22761952 {source="Europe PMC"} xref: PMID:23598058 {source="Europe PMC"} xref: PMID:25962731 {source="Europe PMC"} xref: PMID:26005654 {source="Europe PMC"} xref: PMID:26226450 {source="Europe PMC"} xref: PMID:27402661 {source="Europe PMC"} xref: PMID:4113332 {source="Europe PMC"} xref: PMID:834304 {source="Europe PMC"} xref: Reaxys:907309 {source="Reaxys"} xref: Wikipedia:Phenylthiocarbamide is_a: CHEBI:51276 ! thioureas relationship: has_functional_parent CHEBI:36946 ! thiourea relationship: has_role CHEBI:59997 ! EC 1.14.18.1 (tyrosinase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FULZLIGZKMKICU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=S)Nc1ccccc1" xsd:string [Term] id: CHEBI:4629 name: diosgenin namespace: chebi_ontology alt_id: CHEBI:67838 def: "A sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone." [] subset: 3_STAR synonym: "(20R,25R)-spirost-5-en-3beta-ol" RELATED [] synonym: "(25R)-spirost-5-en-3beta-ol" RELATED [] synonym: "(3beta,25R)-spirost-5-en-3-ol" EXACT [] synonym: "diosgenin" EXACT [] synonym: "nitogenin" RELATED [] xref: CAS:512-04-9 xref: KEGG:C08898 xref: KNApSAcK:C00003576 xref: LIPID_MAPS_instance:LMST01080037 xref: Patent:US3019220 xref: PMID:20622501 xref: PMID:21391660 xref: PMID:21990007 xref: PMID:22266324 xref: PMID:22719792 xref: PMID:22754381 xref: PMID:22837815 xref: PMID:22901014 xref: PMID:22904823 xref: PMID:23246979 xref: PMID:23302635 xref: PMID:23423339 xref: Reaxys:94582 xref: Wikipedia:Diosgenin is_a: CHEBI:36615 ! triterpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H42O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQLVFSAGQJTQCK-VKROHFNGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.62060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.31340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:46342 name: undecane namespace: chebi_ontology alt_id: CHEBI:32899 alt_id: CHEBI:46341 def: "A straight-chain alkane with 11 carbon atoms." [] subset: 3_STAR synonym: "CH3-[CH2]9-CH3" RELATED [IUPAC] synonym: "hendecane" RELATED [NIST_Chemistry_WebBook] synonym: "Hendekan" RELATED [ChEBI] synonym: "n-undecane" RELATED [NIST_Chemistry_WebBook] synonym: "UNDECANE" EXACT [PDBeChem] synonym: "undecane" EXACT IUPAC_NAME [IUPAC] synonym: "Undekan" RELATED [ChEBI] xref: Beilstein:1697099 {source="ChemIDplus"} xref: CAS:1120-21-4 {source="ChemIDplus"} xref: CAS:1120-21-4 {source="NIST Chemistry WebBook"} xref: Gmelin:142928 {source="Gmelin"} xref: MetaCyc:CPD-9289 xref: PDBeChem:UND xref: Reaxys:1697099 {source="Reaxys"} xref: Wikipedia:Undecane is_a: CHEBI:18310 ! alkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H24" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RSJKGSCJYJTIGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.30826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.18780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCC" xsd:string [Term] id: CHEBI:46345 name: 5-fluorouracil namespace: chebi_ontology alt_id: CHEBI:2054 alt_id: CHEBI:46343 def: "A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth." [] subset: 3_STAR synonym: "5-Fluoracil" RELATED [ChemIDplus] synonym: "5-fluoropyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "5-Fluoropyrimidine-2,4-dione" RELATED [ChemIDplus] synonym: "5-Fluorouracil" EXACT [KEGG_COMPOUND] synonym: "5-fluorouracil" EXACT IUPAC_NAME [IUPAC] synonym: "5-FU" RELATED [KEGG_COMPOUND] synonym: "Fluorouracil" RELATED [KEGG_COMPOUND] synonym: "fluorouracil" RELATED INN [WHO_MedNet] synonym: "fluorouracil" RELATED INN [ChemIDplus] synonym: "fluorouracilo" RELATED INN [ChemIDplus] synonym: "fluorouracilum" RELATED INN [ChemIDplus] xref: Beilstein:127172 {source="Beilstein"} xref: CAS:51-21-8 {source="ChemIDplus"} xref: CAS:51-21-8 {source="KEGG COMPOUND"} xref: Drug_Central:26 {source="DrugCentral"} xref: DrugBank:DB00544 xref: HMDB:HMDB0014684 xref: KEGG:C07649 xref: KEGG:D00584 xref: LINCS:LSM-4261 xref: PDBeChem:URF xref: PMID:11356943 {source="Europe PMC"} xref: PMID:12520460 {source="Europe PMC"} xref: PMID:14769231 {source="Europe PMC"} xref: PMID:19023200 {source="Europe PMC"} xref: Reaxys:127172 {source="Reaxys"} xref: Wikipedia:Fluorouracil is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:67142 ! nucleobase analogue relationship: has_functional_parent CHEBI:17568 ! uracil relationship: has_role CHEBI:132992 ! radiosensitizing agent relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3FN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHASVSINZRGABV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.07730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.01786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1c[nH]c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:4638 name: diphenidol namespace: chebi_ontology def: "A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4." [] subset: 3_STAR synonym: "1,1-diphenyl-4-piperidin-1-ylbutan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,alpha-Diphenyl-1-piperidinebutanol" RELATED [ChemIDplus] synonym: "difenidol" RELATED INN [WHO_MedNet] synonym: "difenidol" RELATED INN [ChemIDplus] synonym: "difenidolum" RELATED INN [WHO_MedNet] synonym: "Diphenidol" EXACT [KEGG_COMPOUND] synonym: "Diphenyl(3-(1-piperidyl)propyl)carbinol" RELATED [ChemIDplus] xref: Beilstein:265884 {source="Beilstein"} xref: CAS:972-02-1 {source="KEGG COMPOUND"} xref: CAS:972-02-1 {source="ChemIDplus"} xref: Drug_Central:313 {source="DrugCentral"} xref: DrugBank:DB01231 xref: HMDB:HMDB0015361 xref: KEGG:C06961 xref: KEGG:D03858 xref: LINCS:LSM-2008 xref: Patent:GB683950 xref: Patent:US2411664 xref: PMID:25573083 {source="Europe PMC"} xref: PMID:25596445 {source="Europe PMC"} xref: Reaxys:265884 {source="Reaxys"} xref: Wikipedia:Diphenidol is_a: CHEBI:22712 ! benzenes is_a: CHEBI:26151 ! piperidines is_a: CHEBI:26878 ! tertiary alcohol relationship: has_role CHEBI:50919 ! antiemetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGAKLTJNUQRZJU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.44522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.20926" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:4640 name: diphenylamine namespace: chebi_ontology def: "An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union." [] subset: 3_STAR synonym: "(phenylamino)benzene" RELATED [NIST_Chemistry_WebBook] synonym: "anilinobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "C6H5-NH-C6H5" RELATED [IUPAC] synonym: "Diphenylamine" EXACT [KEGG_COMPOUND] synonym: "DPA" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-diphenylamine" RELATED [ChemIDplus] synonym: "N-phenylaniline" EXACT IUPAC_NAME [IUPAC] synonym: "N-phenylbenzenamine" RELATED [ChemIDplus] xref: Beilstein:508755 {source="Beilstein"} xref: CAS:122-39-4 {source="ChemIDplus"} xref: CAS:122-39-4 {source="NIST Chemistry WebBook"} xref: CAS:122-39-4 {source="KEGG COMPOUND"} xref: Gmelin:67833 {source="Gmelin"} xref: HMDB:HMDB0032562 xref: KEGG:C11016 xref: MetaCyc:CPD-9937 xref: Pesticides:diphenylamine {source="Alan Wood's Pesticides"} xref: PMID:16172927 {source="Europe PMC"} xref: PMID:16336182 {source="Europe PMC"} xref: PMID:23200380 {source="Europe PMC"} xref: PMID:23311914 {source="Europe PMC"} xref: PMID:6446435 {source="Europe PMC"} xref: PMID:8192920 {source="Europe PMC"} xref: PPDB:1335 xref: Reaxys:508755 {source="Reaxys"} xref: Wikipedia:Diphenylamine is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:87039 ! bridged diphenyl fungicide relationship: has_role CHEBI:173084 ! ferroptosis inhibitor relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:72773 ! carotogenesis inhibitor relationship: has_role CHEBI:72774 ! EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMBHHRLKUKUOEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.22248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:46430 name: (S,S,S)-alpha-tocopherol def: "The (S,S,S)-stereoisomer of alpha-tocopherol." [] is_a: CHEBI:22470 ! α-tocopherol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46442 name: vanadate(3-) namespace: chebi_ontology alt_id: CHEBI:10617 alt_id: CHEBI:46439 def: "A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms." [] subset: 3_STAR synonym: "[VO4](3-)" RELATED [MolBase] synonym: "ortho-Vanadate" RELATED [KEGG_COMPOUND] synonym: "orthovanadate" RELATED [ChEBI] synonym: "tetraoxidovanadate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxovanadate(3-)" RELATED [ChEBI] synonym: "tetraoxovanadate(V)" RELATED [ChEBI] synonym: "vanadate" RELATED [ChemIDplus] synonym: "VANADATE ION" RELATED [PDBeChem] synonym: "VO4(3-)" RELATED [IUPAC] xref: CAS:14333-18-7 {source="KEGG COMPOUND"} xref: CAS:14333-18-7 {source="ChemIDplus"} xref: COMe:MOL000160 xref: Gmelin:2106 {source="Gmelin"} xref: KEGG:C11627 xref: MolBase:48 xref: PDBeChem:VO4 xref: PMID:12151384 {source="Europe PMC"} xref: PMID:16529963 {source="Europe PMC"} xref: PMID:16921521 {source="Europe PMC"} xref: PMID:19689775 {source="Europe PMC"} xref: PMID:2959372 {source="Europe PMC"} xref: Wikipedia:Vanadate is_a: CHEBI:30528 ! vanadium oxoanion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: has_role CHEBI:35608 ! EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor relationship: has_role CHEBI:77024 ! EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor relationship: is_conjugate_base_of CHEBI:35168 ! hydrogenvanadate property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4O.V/q;3*-1;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSGOVYNHVSXFFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.93910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.92526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][V]([O-])([O-])=O" xsd:string [Term] id: CHEBI:4659 name: disulfiram namespace: chebi_ontology def: "An organic disulfide that results from the formal oxidative dimerisation of N,N-diethyldithiocarbamic acid. A multi-enzyme inhibitor that is used in alcohol aversion therapy and also exhibits anticancer properties." [] subset: 3_STAR synonym: "1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane" EXACT IUPAC_NAME [IUPAC] synonym: "1,1'-dithiobis(N,N-diethylthioformamide)" RELATED [ChemIDplus] synonym: "Antabuse" RELATED [KEGG_DRUG] synonym: "bis(diethylthiocarbamoyl) disulfide" RELATED [ChemIDplus] synonym: "Disulfiram" EXACT [KEGG_COMPOUND] synonym: "N,N,N',N'-tetraethylthiuram disulfide" RELATED [NIST_Chemistry_WebBook] synonym: "tetraethylthioperoxydicarbonic diamide" RELATED [ChemIDplus] synonym: "Tetraethylthiuram disulfide" RELATED [KEGG_COMPOUND] synonym: "tetraethylthiuram disulfide" RELATED [ChemIDplus] synonym: "tetraethylthiuram disulphide" RELATED [NIST_Chemistry_WebBook] xref: CAS:97-77-8 {source="ChemIDplus"} xref: CAS:97-77-8 {source="NIST Chemistry WebBook"} xref: CAS:97-77-8 {source="KEGG COMPOUND"} xref: Drug_Central:928 {source="DrugCentral"} xref: DrugBank:DB00822 xref: HMDB:HMDB0014960 xref: KEGG:C01692 xref: KEGG:D00131 xref: LINCS:LSM-5467 xref: MetaCyc:DISULFIRAM xref: Pesticides:disulfiram {source="Alan Wood's Pesticides"} xref: PMID:10841824 {source="Europe PMC"} xref: PMID:11005259 {source="Europe PMC"} xref: PMID:11716515 {source="Europe PMC"} xref: PMID:14978246 {source="Europe PMC"} xref: PMID:15325261 {source="Europe PMC"} xref: PMID:15709459 {source="Europe PMC"} xref: PMID:16426571 {source="Europe PMC"} xref: PMID:16661923 {source="Europe PMC"} xref: PMID:16666414 {source="Europe PMC"} xref: PMID:16880974 {source="Europe PMC"} xref: PMID:17079463 {source="Europe PMC"} xref: PMID:17579916 {source="Europe PMC"} xref: PMID:17667894 {source="Europe PMC"} xref: PMID:18579431 {source="Europe PMC"} xref: PMID:19720750 {source="Europe PMC"} xref: PMID:19782464 {source="Europe PMC"} xref: PMID:19787200 {source="Europe PMC"} xref: PMID:21471244 {source="Europe PMC"} xref: PMID:24496638 {source="Europe PMC"} xref: PMID:25133664 {source="Europe PMC"} xref: PMID:25445071 {source="Europe PMC"} xref: PMID:25464072 {source="Europe PMC"} xref: PMID:25476326 {source="Europe PMC"} xref: PMID:25495604 {source="Europe PMC"} xref: PMID:25557293 {source="Europe PMC"} xref: PMID:25565438 {source="Europe PMC"} xref: PMID:25657800 {source="Europe PMC"} xref: PMID:25777347 {source="Europe PMC"} xref: PMID:26033731 {source="Europe PMC"} xref: PMID:26224731 {source="Europe PMC"} xref: PMID:26235918 {source="Europe PMC"} xref: PMID:26239994 {source="Europe PMC"} xref: PMID:26314552 {source="Europe PMC"} xref: PMID:26517513 {source="Europe PMC"} xref: PMID:26550292 {source="Europe PMC"} xref: PMID:31151194 {source="Europe PMC"} xref: PMID:32963852 {source="Europe PMC"} xref: PMID:32971817 {source="Europe PMC"} xref: PMID:33731397 {source="Europe PMC"} xref: PMID:34012274 {source="Europe PMC"} xref: PMID:34045896 {source="Europe PMC"} xref: PMID:8442800 {source="Europe PMC"} xref: PMID:8572926 {source="Europe PMC"} xref: Reaxys:1712560 {source="Reaxys"} xref: Wikipedia:Disulfiram is_a: CHEBI:35489 ! organic disulfide is_a: CHEBI:39298 ! organosulfur acaricide relationship: has_role CHEBI:173085 ! ferroptosis inducer relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:35487 ! EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:48422 ! angiogenesis inhibitor relationship: has_role CHEBI:50276 ! EC 5.99.1.2 (DNA topoisomerase) inhibitor relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor relationship: has_role CHEBI:78444 ! EC 3.1.1.1 (carboxylesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H20N2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUZONCFQVSMFAP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.05093" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(SC(N(CC)CC)=S)C(N(CC)CC)=S" xsd:string [Term] id: CHEBI:46629 name: oxo group namespace: chebi_ontology alt_id: CHEBI:29353 alt_id: CHEBI:44607 subset: 3_STAR synonym: "=O" RELATED [IUPAC] synonym: "oxo" EXACT IUPAC_NAME [IUPAC] synonym: "OXO GROUP" EXACT [PDBeChem] xref: PDBeChem:O is_a: CHEBI:33246 ! inorganic group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=*" xsd:string [Term] id: CHEBI:46640 name: diketone namespace: chebi_ontology def: "A compound that contains two ketone functionalities." [] subset: 3_STAR synonym: "diketones" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Diketone is_a: CHEBI:17087 ! ketone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46645 name: isobutanol namespace: chebi_ontology def: "An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "1-Hydroxymethylpropane" RELATED [KEGG_COMPOUND] synonym: "1-hydroxymethylpropane" RELATED [ChemIDplus] synonym: "2-Methyl-1-propanol" RELATED [KEGG_COMPOUND] synonym: "2-methyl-1-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-methylpropan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropanol" RELATED [NIST_Chemistry_WebBook] synonym: "i-Butanol" RELATED [NIST_Chemistry_WebBook] synonym: "i-Butyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "IBA" RELATED [NIST_Chemistry_WebBook] synonym: "iso-butyl alcohol" RELATED [ChemIDplus] synonym: "iso-C4H9OH" RELATED [NIST_Chemistry_WebBook] synonym: "isobutanol" EXACT [ChemIDplus] synonym: "isobutanol" EXACT [UniProt] synonym: "isobutyl alcohol" RELATED [ChemIDplus] synonym: "Isobutylalkohol" RELATED [NIST_Chemistry_WebBook] synonym: "isopropylcarbinol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1730878 {source="ChemIDplus"} xref: CAS:78-83-1 {source="KEGG COMPOUND"} xref: CAS:78-83-1 {source="NIST Chemistry WebBook"} xref: CAS:78-83-1 {source="ChemIDplus"} xref: Gmelin:49282 {source="Gmelin"} xref: HMDB:HMDB0006006 xref: KEGG:C14710 xref: PMID:24305546 {source="Europe PMC"} xref: PMID:24430208 {source="Europe PMC"} xref: Reaxys:1730878 {source="Reaxys"} xref: Wikipedia:Isobutanol xref: YMDB:YMDB00573 is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:50584 ! alkyl alcohol relationship: has_parent_hydride CHEBI:30363 ! isobutane relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CO" xsd:string [Term] id: CHEBI:46648 name: nitrite salt is_a: CHEBI:25549 ! nitrites property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46661 name: asbestos namespace: chebi_ontology def: "Fibrous incombustible mineral composed of magnesium and calcium silicates with or without other elements." [] subset: 3_STAR synonym: "Asbest" RELATED [ChemIDplus] synonym: "asbesto" RELATED [ChEBI] synonym: "asbestos" EXACT [ChemIDplus] xref: CAS:1332-21-4 {source="KEGG COMPOUND"} xref: CAS:1332-21-4 {source="ChemIDplus"} xref: KEGG:C16442 is_a: CHEBI:46663 ! silicate mineral [Term] id: CHEBI:46662 name: mineral namespace: chebi_ontology def: "In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals')." [] subset: 3_STAR synonym: "mineral" EXACT [ChEBI] synonym: "Minerale" RELATED [ChEBI] synonym: "minerales" RELATED [ChEBI] synonym: "minerals" RELATED [ChEBI] synonym: "mineraux" RELATED [ChEBI] xref: Wikipedia:Mineral is_a: CHEBI:59999 ! chemical substance property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46663 name: silicate mineral namespace: chebi_ontology subset: 3_STAR synonym: "silicate minerals" RELATED [ChEBI] synonym: "silicates" RELATED [ChEBI] synonym: "silicato" RELATED [ChEBI] synonym: "silicatos" RELATED [ChEBI] synonym: "Silikat" RELATED [ChEBI] synonym: "Silikate" RELATED [ChEBI] synonym: "Silikatminerale" RELATED [ChEBI] is_a: CHEBI:46662 ! mineral [Term] id: CHEBI:46668 name: amino acid ester namespace: chebi_ontology def: "Any carboxylic ester derivative of an amino acid." [] subset: 3_STAR synonym: "amino acid ester" EXACT [ChEBI] synonym: "amino acid esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:46686 name: azaalkane namespace: chebi_ontology subset: 3_STAR synonym: "azaalkanes" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:46687 name: diazaalkane namespace: chebi_ontology subset: 3_STAR synonym: "diazaalkanes" RELATED [ChEBI] is_a: CHEBI:39474 ! polyazaalkane [Term] id: CHEBI:46690 name: reserpic acid namespace: chebi_ontology subset: 3_STAR synonym: "(3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylic acid" RELATED [ChemIDplus] synonym: "reserpic acid" EXACT [ChemIDplus] synonym: "reserpinolic acid" RELATED [ChemIDplus] xref: Beilstein:98529 {source="Beilstein"} xref: CAS:83-60-3 {source="ChemIDplus"} xref: LINCS:LSM-2712 is_a: CHEBI:27358 ! yohimban alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H28N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVHNBFFHWQQPLL-WOXROFTLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.46820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "400.19982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(O)=O)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2" xsd:string [Term] id: CHEBI:46695 name: fluorohydrocarbon namespace: chebi_ontology def: "A compound derived from a hydrocarbon by replacing one or more hydrogen atoms with fluorine atoms." [] subset: 3_STAR synonym: "FKW" RELATED [ChEBI] synonym: "Fluorkohlenwasserstoffe" RELATED [ChEBI] synonym: "fluorohydrocarbons" RELATED [ChEBI] synonym: "HFC" RELATED [ChEBI] is_a: CHEBI:24472 ! halohydrocarbon is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:46700 name: benzoxazole namespace: chebi_ontology def: "Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton." [] subset: 3_STAR synonym: "benzoxazoles" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46701 name: pyrrolidinemonocarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "pyrrolidinemonocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:46767 ! pyrrolidinecarboxylic acid [Term] id: CHEBI:4672 name: docetaxel anhydrous namespace: chebi_ontology def: "A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group." [] subset: 3_STAR synonym: "4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "Docetaxel" RELATED [KEGG_COMPOUND] synonym: "Docetaxel anhydrous" EXACT [KEGG_COMPOUND] synonym: "N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel" RELATED [ChEBI] synonym: "N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol" RELATED [ChEBI] synonym: "TXL" RELATED [DrugBank] xref: Beilstein:4290183 {source="Beilstein"} xref: CAS:114977-28-5 {source="KEGG COMPOUND"} xref: CAS:114977-28-5 {source="ChemIDplus"} xref: DrugBank:DB01248 xref: KEGG:C11231 xref: KEGG:D07866 xref: Patent:EP253738 xref: Patent:US4814470 xref: PDBeChem:TXL xref: Wikipedia:Docetaxel is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone is_a: CHEBI:52557 ! tetracyclic diterpenoid relationship: has_parent_hydride CHEBI:36064 ! taxane relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:38068 ! antimalarial relationship: has_role CHEBI:47868 ! photosensitizing agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C43H53NO14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDZOTLJHXYCWBA-VCVYQWHSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "807.87920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "807.34661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1" xsd:string [Term] id: CHEBI:46721 name: carbonate salt namespace: chebi_ontology subset: 3_STAR synonym: "carbonate salts" RELATED [ChEBI] is_a: CHEBI:23016 ! carbonates relationship: has_part CHEBI:41609 ! carbonate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46725 name: oxide mineral namespace: chebi_ontology subset: 3_STAR synonym: "oxide minerals" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:46662 ! mineral [Term] id: CHEBI:46733 name: oxabicycloalkane namespace: chebi_ontology subset: 3_STAR synonym: "oxabicycloalkanes" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46761 name: dipeptide def: "Any molecule that contains two amino-acid residues connected by peptide linkages." [] is_a: CHEBI:25676 ! oligopeptide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:46766 name: N-acylpyrrolidine namespace: chebi_ontology subset: 3_STAR synonym: "N-acylpyrrolidines" RELATED [ChEBI] is_a: CHEBI:32988 ! amide is_a: CHEBI:38260 ! pyrrolidines [Term] id: CHEBI:46767 name: pyrrolidinecarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "pyrrolidinecarboxylic acids" RELATED [ChEBI] is_a: CHEBI:38260 ! pyrrolidines [Term] id: CHEBI:46770 name: pyrrolidinecarboxamide namespace: chebi_ontology subset: 3_STAR synonym: "pyrrolidinecarboxamides" RELATED [ChEBI] is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:38260 ! pyrrolidines [Term] id: CHEBI:46774 name: polyether namespace: chebi_ontology def: "Any ether that contains more than one ether linkage." [] subset: 3_STAR synonym: "polyether" EXACT [ChEBI] synonym: "polyethers" RELATED [ChEBI] is_a: CHEBI:25698 ! ether [Term] id: CHEBI:46775 name: N-alkylpyrrolidine namespace: chebi_ontology subset: 3_STAR synonym: "N-alkylpyrrolidines" RELATED [ChEBI] is_a: CHEBI:38260 ! pyrrolidines is_a: CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:46784 name: diglyme namespace: chebi_ontology alt_id: CHEBI:43776 def: "A polyether that is the dimethyl ether derivative of diethylene glycol." [] subset: 3_STAR synonym: "1-methoxy-2-(2-methoxyethoxy)ethane" EXACT IUPAC_NAME [IUPAC] synonym: "2,2'-oxybis(1-methoxyethane)" RELATED [ChEBI] synonym: "2,2'-oxybis[1-(methyloxy)ethane]" RELATED [ChEBI] synonym: "2,5,8-trioxanonane" RELATED [NIST_Chemistry_WebBook] synonym: "bis(2-methoxyethyl) ether" RELATED [ChemIDplus] synonym: "CH3-O-CH2-CH2-O-CH2-CH2-O-CH3" RELATED [IUPAC] synonym: "di(2-methoxyethyl) ether" RELATED [NIST_Chemistry_WebBook] synonym: "diethylene glycol dimethyl ether" RELATED [ChemIDplus] synonym: "Diglyme" EXACT [ChemIDplus] xref: Beilstein:1736101 {source="ChemIDplus"} xref: CAS:111-96-6 {source="ChemIDplus"} xref: CAS:111-96-6 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02935 xref: Gmelin:26843 {source="Gmelin"} xref: PDBeChem:M2M xref: PMID:12003540 {source="Europe PMC"} xref: PMID:23552701 {source="Europe PMC"} xref: Reaxys:1736101 {source="Reaxys"} xref: Wikipedia:Diglyme is_a: CHEBI:46774 ! polyether relationship: has_functional_parent CHEBI:46807 ! diethylene glycol relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:46787 ! solvent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBZXBUIDTXKZTM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.17356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCOCCOC" xsd:string [Term] id: CHEBI:46786 name: diether namespace: chebi_ontology def: "A polyether in which the number of ether linkages is 2." [] subset: 3_STAR synonym: "diether" EXACT [ChEBI] synonym: "diethers" RELATED [ChEBI] is_a: CHEBI:46774 ! polyether [Term] id: CHEBI:46787 name: solvent namespace: chebi_ontology def: "A liquid that can dissolve other substances (solutes) without any change in their chemical composition." [] subset: 3_STAR synonym: "Loesungsmittel" RELATED [ChEBI] synonym: "solvant" RELATED [ChEBI] synonym: "solvents" RELATED [ChEBI] xref: Wikipedia:Solvent is_a: CHEBI:33232 ! application is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:46788 name: 2-ethoxyethanol namespace: chebi_ontology alt_id: CHEBI:34272 alt_id: CHEBI:42340 def: "A hydroxyether that is the ethyl ether derivative of ethylene glycol." [] subset: 3_STAR synonym: "2-ETHOXYETHANOL" EXACT [PDBeChem] synonym: "2-Ethoxyethanol" EXACT [KEGG_COMPOUND] synonym: "2-ethoxyethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-ethoxyethyl alcohol" RELATED [ChemIDplus] synonym: "2EE" RELATED [NIST_Chemistry_WebBook] synonym: "beta-ethoxyethanol" RELATED [NIST_Chemistry_WebBook] synonym: "Cellosolve" RELATED [ChemIDplus] synonym: "ethylene glycol ethyl ether" RELATED [ChemIDplus] synonym: "ethylene glycol monoethyl ether" RELATED [ChemIDplus] synonym: "HOCH2CH2OC2H5" RELATED [NIST_Chemistry_WebBook] synonym: "Oxitol" RELATED [ChemIDplus] xref: Beilstein:1098271 {source="Beilstein"} xref: CAS:110-80-5 {source="ChemIDplus"} xref: CAS:110-80-5 {source="NIST Chemistry WebBook"} xref: CAS:110-80-5 {source="KEGG COMPOUND"} xref: DrugBank:DB02249 xref: Gmelin:82142 {source="Gmelin"} xref: HMDB:HMDB0031213 xref: KEGG:C14687 xref: PDBeChem:ETX xref: PMID:12209180 {source="Europe PMC"} xref: PMID:24399739 {source="Europe PMC"} xref: PMID:2625497 {source="Europe PMC"} xref: PMID:7151721 {source="Europe PMC"} xref: Reaxys:1098271 {source="Reaxys"} xref: Wikipedia:2-Ethoxyethanol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:172390 ! glycol ether relationship: has_functional_parent CHEBI:30742 ! ethylene glycol relationship: has_role CHEBI:50905 ! teratogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNQVEEAIQZEUHB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.12100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOCCO" xsd:string [Term] id: CHEBI:46789 name: hydroxyether namespace: chebi_ontology def: "Any ether carrying a hydroxy group at unspecified position." [] subset: 3_STAR synonym: "hydroxyether" EXACT [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:46790 name: 2-methoxyethanol namespace: chebi_ontology alt_id: CHEBI:19677 alt_id: CHEBI:44217 def: "A hydroxyether that is ethanol substituted by a methoxy group at position 2." [] subset: 3_STAR synonym: "1-hydroxy-2-methoxyethane" RELATED [ChemIDplus] synonym: "2-hydroxyethyl methyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-1-ethanol" RELATED [ChemIDplus] synonym: "2-METHOXYETHANOL" EXACT [PDBeChem] synonym: "2-methoxyethanol" EXACT IUPAC_NAME [IUPAC] synonym: "3-oxa-1-butanol" RELATED [ChemIDplus] synonym: "beta-methoxyethanol" RELATED [NIST_Chemistry_WebBook] synonym: "HOCH2CH2OCH3" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl cellosolve" RELATED [ChemIDplus] synonym: "methyl oxitol" RELATED [ChemIDplus] synonym: "monomethyl ethylene glycol ether" RELATED [ChemIDplus] xref: Beilstein:1731074 {source="ChemIDplus"} xref: CAS:109-86-4 {source="ChemIDplus"} xref: CAS:109-86-4 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02806 xref: Gmelin:81877 {source="Gmelin"} xref: MetaCyc:2-METHOXYETHANOL xref: PDBeChem:MXE xref: PMID:11354470 {source="Europe PMC"} xref: PMID:24399739 {source="Europe PMC"} xref: PPDB:1639 xref: Reaxys:1731074 {source="Reaxys"} xref: Wikipedia:2-Methoxyethanol is_a: CHEBI:172390 ! glycol ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNWFRZJHXBZDAG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.09442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCO" xsd:string [Term] id: CHEBI:46800 name: ethanethioic O-acid namespace: chebi_ontology subset: 3_STAR synonym: "ethanethioic O-acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1733298 {source="Beilstein"} xref: Gmelin:1216872 {source="Gmelin"} is_a: CHEBI:26952 ! thioacetic acid relationship: is_tautomer_of CHEBI:16555 ! ethanethioic S-acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUYAAUVXQSMXQP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.11856" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.99829" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=S" xsd:string [Term] id: CHEBI:46807 name: diethylene glycol namespace: chebi_ontology alt_id: CHEBI:34700 alt_id: CHEBI:44774 subset: 3_STAR synonym: "1,5-Dihydroxy-3-oxapentane" RELATED [KEGG_COMPOUND] synonym: "2,2'-dihydroxydiethyl ether" RELATED [ChemIDplus] synonym: "2,2'-oxybisethanol" RELATED [ChemIDplus] synonym: "2,2'-Oxydiethanol" RELATED [KEGG_COMPOUND] synonym: "2,2'-oxydiethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-(2-hydroxyethoxy)ethanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-hydroxyethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "beta,beta'-dihydroxydiethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "bis(2-hydroxyethyl) ether" RELATED [NIST_Chemistry_WebBook] synonym: "bis(beta-hydroxyethyl) ether" RELATED [NIST_Chemistry_WebBook] synonym: "DI(HYDROXYETHYL)ETHER" RELATED [PDBeChem] synonym: "Diethylene glycol" EXACT [KEGG_COMPOUND] synonym: "Diethylenglykol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:969209 {source="Beilstein"} xref: CAS:111-46-6 {source="NIST Chemistry WebBook"} xref: CAS:111-46-6 {source="ChemIDplus"} xref: CAS:111-46-6 {source="KEGG COMPOUND"} xref: Gmelin:2399 {source="Gmelin"} xref: KEGG:C14689 xref: PDBeChem:PEG is_a: CHEBI:46789 ! hydroxyether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTHSVFCYNBDYFN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.12040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCOCCO" xsd:string [Term] id: CHEBI:46845 name: N-alkylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-alkylpiperazines" RELATED [ChEBI] is_a: CHEBI:26144 ! piperazines is_a: CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:46848 name: N-arylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-arylpiperazines" RELATED [ChEBI] is_a: CHEBI:26144 ! piperazines is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:50996 ! tertiary amino compound [Term] id: CHEBI:46850 name: organoammonium salt namespace: chebi_ontology subset: 3_STAR synonym: "organoammonium salts" RELATED [ChEBI] is_a: CHEBI:35276 ! ammonium compound [Term] id: CHEBI:46851 name: N-(2-hydroxyethyl)piperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-(2-hydroxyethyl)piperazines" RELATED [ChEBI] is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:46845 ! N-alkylpiperazine [Term] id: CHEBI:46867 name: indolyl carboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "indolyl carboxylic acids" RELATED [ChEBI] is_a: CHEBI:24828 ! indoles is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:46883 name: carboxy group namespace: chebi_ontology alt_id: CHEBI:23025 alt_id: CHEBI:41420 subset: 3_STAR synonym: "-C(O)OH" RELATED [IUPAC] synonym: "-CO2H" RELATED [ChEBI] synonym: "-COOH" RELATED [IUPAC] synonym: "carboxy" EXACT IUPAC_NAME [IUPAC] synonym: "CARBOXY GROUP" EXACT [PDBeChem] synonym: "carboxyl group" RELATED [ChEBI] xref: PDBeChem:FMT is_a: CHEBI:33249 ! organyl group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(=O)O" xsd:string [Term] id: CHEBI:46895 name: lipopeptide namespace: chebi_ontology def: "A compound consisting of a peptide with attached lipid." [] subset: 3_STAR synonym: "lipopeptides" RELATED [ChEBI] synonym: "LP" RELATED [ChEBI] xref: PMID:19889045 {source="Europe PMC"} xref: PMID:20545290 {source="Europe PMC"} xref: PMID:23131643 {source="Europe PMC"} xref: PMID:23318669 {source="Europe PMC"} xref: Wikipedia:Lipopeptide is_a: CHEBI:16670 ! peptide is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:46904 name: oxalate(1-) namespace: chebi_ontology def: "A dicarboxylic acid monoanion that is the conjugate base of oxalic acid." [] subset: 3_STAR synonym: "carboxyformate" EXACT IUPAC_NAME [IUPAC] synonym: "Hox" RELATED [IUPAC] synonym: "hydrogen ethanedioate" RELATED [IUPAC] synonym: "hydrogen oxalate" RELATED [ChEBI] xref: Beilstein:3601755 {source="Beilstein"} xref: Gmelin:49515 {source="Gmelin"} is_a: CHEBI:132952 ! oxalate is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:30623 ! oxalate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.02694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.98803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C([O-])=O" xsd:string [Term] id: CHEBI:46905 name: (R)-pantothenic acid namespace: chebi_ontology alt_id: CHEBI:18701 alt_id: CHEBI:44679 def: "A pantothenic acid having R-configuration." [] subset: 3_STAR synonym: "(+)-Pantothenic acid" RELATED [HMDB] synonym: "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine" RELATED [ChemIDplus] synonym: "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "chick antidermatitis factor" RELATED [ChemIDplus] synonym: "D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine" RELATED [ChemIDplus] synonym: "D-(+)-pantothenic acid" RELATED [ChEBI] synonym: "D-pantothenic acid" RELATED [ChemIDplus] synonym: "N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine" RELATED [PDBeChem] synonym: "Pantothenic acid" RELATED [KEGG_COMPOUND] synonym: "PANTOTHENOIC ACID" RELATED [PDBeChem] synonym: "vitamin B5" RELATED [ChemIDplus] xref: Beilstein:1727064 {source="ChemIDplus"} xref: CAS:79-83-4 {source="ChemIDplus"} xref: CAS:79-83-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:2055 {source="DrugCentral"} xref: DrugBank:DB01783 xref: FooDB:FDB008322 xref: HMDB:HMDB0000210 xref: KEGG:C00864 xref: KEGG:D07413 xref: KNApSAcK:C00001550 xref: MetaCyc:PANTOTHENATE xref: PDBeChem:PAU xref: PMID:12664639 {source="Europe PMC"} xref: PMID:13614445 {source="Europe PMC"} xref: PMID:14675432 {source="Europe PMC"} xref: PMID:15065769 {source="Europe PMC"} xref: PMID:15136582 {source="Europe PMC"} xref: PMID:15912738 {source="Europe PMC"} xref: PMID:16042590 {source="Europe PMC"} xref: PMID:17023940 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17913047 {source="Europe PMC"} xref: PMID:18186650 {source="Europe PMC"} xref: PMID:19307712 {source="Europe PMC"} xref: PMID:19959891 {source="Europe PMC"} xref: PMID:20451532 {source="Europe PMC"} xref: PMID:21904030 {source="Europe PMC"} xref: PMID:22052867 {source="Europe PMC"} xref: PMID:22468352 {source="Europe PMC"} xref: PMID:23727638 {source="Europe PMC"} xref: PMID:27555321 {source="Europe PMC"} xref: PMID:32416962 {source="Europe PMC"} xref: PMID:32979277 {source="Europe PMC"} xref: PMID:5352084 {source="Europe PMC"} xref: Reaxys:1727064 {source="Reaxys"} xref: Wikipedia:Pantothenic_Acid is_a: CHEBI:176840 ! vitamin B5 is_a: CHEBI:7916 ! pantothenic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:74530 ! antidote to curare poisoning relationship: has_role CHEBI:85234 ! human blood serum metabolite relationship: is_conjugate_acid_of CHEBI:29032 ! (R)-pantothenate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.11067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O" xsd:string [Term] id: CHEBI:46916 name: vinyl acetate namespace: chebi_ontology subset: 3_STAR synonym: "1-acetoxyethylene" RELATED [ChemIDplus] synonym: "acetic acid ethenyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "acetic acid vinyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "acetoxyethene" RELATED [ChemIDplus] synonym: "Essigsaeurevinylester" RELATED [ChEBI] synonym: "ethenyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "ethenyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "vinyl acetate" EXACT [ChemIDplus] synonym: "vinyl ethanoate" RELATED [ChemIDplus] synonym: "Vinylacetat" RELATED [NIST_Chemistry_WebBook] synonym: "Vinylazetat" RELATED [ChEBI] xref: Beilstein:1209327 {source="Beilstein"} xref: Beilstein:4290704 {source="Beilstein"} xref: CAS:108-05-4 {source="KEGG COMPOUND"} xref: CAS:108-05-4 {source="ChemIDplus"} xref: CAS:108-05-4 {source="NIST Chemistry WebBook"} xref: KEGG:C19309 is_a: CHEBI:47622 ! acetate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XTXRWKRVRITETP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)OC=C" xsd:string [Term] id: CHEBI:46920 name: N-methylpiperazine namespace: chebi_ontology subset: 3_STAR synonym: "N-methylpiperazines" RELATED [ChEBI] is_a: CHEBI:46845 ! N-alkylpiperazine [Term] id: CHEBI:46923 name: dioxane is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:46926 ! dioxanes [Term] id: CHEBI:46926 name: dioxanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46931 name: capsaicinoid namespace: chebi_ontology def: "A family of aromatic fatty amides produced as secondary metabolites by chilli peppers." [] subset: 3_STAR synonym: "capsaicinoids" RELATED [ChEBI] is_a: CHEBI:29348 ! fatty amide relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:46932 name: dihydrocapsaicin namespace: chebi_ontology subset: 3_STAR synonym: "6,7-Dihydrocapsaicin" RELATED [ChemIDplus] synonym: "8-methyl-N-vanillylnonanamide" RELATED [ChemIDplus] synonym: "N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2815150 {source="Beilstein"} xref: CAS:19408-84-5 {source="ChemIDplus"} xref: CAS:19408-84-5 {source="KEGG COMPOUND"} xref: KEGG:C16952 xref: LINCS:LSM-37095 is_a: CHEBI:46931 ! capsaicinoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H29NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XJQPQKLURWNAAH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.42780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.21474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O" xsd:string [Term] id: CHEBI:46940 name: indanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:36785 ! carbobicyclic compound [Term] id: CHEBI:46942 name: oxanes namespace: chebi_ontology def: "Any organic heteromonocyclic compoundthat is oxane or its substituted derivatives." [] subset: 3_STAR synonym: "tetrahydropyrans" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46952 name: oxazinane namespace: chebi_ontology subset: 3_STAR synonym: "oxazinanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:46955 name: anthracenes namespace: chebi_ontology def: "Compounds containing an anthracene skeleton." [] subset: 3_STAR is_a: CHEBI:38032 ! carbotricyclic compound is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:46986 name: azepanes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:46997 name: L-ribose namespace: chebi_ontology def: "A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in L-glyceraldehyde." [] subset: 3_STAR synonym: "L-Rib" RELATED [JCBN] synonym: "L-ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "L-ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33942 ! ribose relationship: is_enantiomer_of CHEBI:16988 ! D-ribose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:46998 name: ribofuranose namespace: chebi_ontology def: "A cyclic ribose having a 5-membered tetrahydrofuran ring; the predominant (C3'-endo) form of the two cyclic structures (the other is the \"C2'-endo\" form, having a 6-membered ring) adopted by ribose in aqueous solution." [] subset: 3_STAR synonym: "rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol" RELATED [IUPAC] synonym: "ribofuranose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33942 ! ribose relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:47013 name: D-ribofuranose namespace: chebi_ontology alt_id: CHEBI:4233 alt_id: CHEBI:46999 def: "A ribofuranose having D-configuration." [] subset: 3_STAR synonym: "(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol" RELATED [IUPAC] synonym: "D-ribofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "D-Ribose" RELATED [KEGG_COMPOUND] synonym: "D-ribose" RELATED [UniProt] synonym: "ribose" RELATED [ChemIDplus] synonym: "WURCS=2.0/1,1,0/[a222h-1x_1-4]/1/" RELATED [GlyTouCan] xref: Beilstein:1904878 {source="Beilstein"} xref: CAS:50-69-1 {source="KEGG COMPOUND"} xref: CAS:613-83-2 {source="ChemIDplus"} xref: GlyGen:G31080DL xref: GlyTouCan:G31080DL xref: Gmelin:364108 {source="Gmelin"} xref: KEGG:C00121 xref: Patent:US2152662 xref: PMID:9506998 {source="Europe PMC"} xref: Reaxys:1904878 {source="Reaxys"} is_a: CHEBI:16988 ! D-ribose is_a: CHEBI:46998 ! ribofuranose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HMFHBZSHGGEWLO-SOOFDHNKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1OC(O)[C@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:47017 name: tetrahydrofuranol namespace: chebi_ontology subset: 3_STAR synonym: "tetrahydrofuranols" RELATED [ChEBI] is_a: CHEBI:26912 ! oxolanes [Term] id: CHEBI:47018 name: monohydroxytetrahydrofuran namespace: chebi_ontology subset: 3_STAR synonym: "monohydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol [Term] id: CHEBI:47019 name: dihydroxytetrahydrofuran namespace: chebi_ontology subset: 3_STAR synonym: "dihydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol [Term] id: CHEBI:47032 name: 1,4-dioxane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:46923 ! dioxane [Term] id: CHEBI:4705 name: double-stranded DNA namespace: chebi_ontology subset: 3_STAR synonym: "Double-stranded DNA" EXACT [KEGG_COMPOUND] synonym: "dsDNA" RELATED [UniProt] xref: KEGG:C00434 is_a: CHEBI:16991 ! deoxyribonucleic acid property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H17O8PR2(C5H8O5PR)n.C10H17O7PR2(C5H8O6PR)n" xsd:string [Term] id: CHEBI:47077 name: dibromomethane namespace: chebi_ontology def: "A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae." [] subset: 3_STAR synonym: "CH2Br2" RELATED [NIST_Chemistry_WebBook] synonym: "Dibrommethan" RELATED [ChEBI] synonym: "DIBROMOMETHANE" EXACT [PDBeChem] synonym: "dibromomethane" EXACT IUPAC_NAME [IUPAC] synonym: "Methylenbromid" RELATED [ChEBI] synonym: "methylene bromide" RELATED [ChemIDplus] synonym: "methylene dibromide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:969143 {source="Beilstein"} xref: CAS:74-95-3 {source="ChemIDplus"} xref: CAS:74-95-3 {source="NIST Chemistry WebBook"} xref: Gmelin:25649 {source="Gmelin"} xref: PDBeChem:2BM xref: PMID:19941875 {source="Europe PMC"} xref: PMID:24622955 {source="Europe PMC"} xref: Reaxys:969143 {source="Reaxys"} xref: Wikipedia:Dibromomethane is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:39278 ! bromomethanes relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:84735 ! algal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2Br2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2Br2/c2-1-3/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FJBFPHVGVWTDIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.83458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.85233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])(Br)Br" xsd:string [Term] id: CHEBI:47136 name: pentachlorobenzene namespace: chebi_ontology alt_id: CHEBI:36698 alt_id: CHEBI:47135 def: "A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention." [] subset: 3_STAR synonym: "1,2,3,4,5-PENTACHLOROBENZENE" RELATED [PDBeChem] synonym: "1,2,3,4,5-Pentachlorobenzene" RELATED [KEGG_COMPOUND] synonym: "1,2,3,4,5-pentachlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "PCB" RELATED [KEGG_COMPOUND] synonym: "Pentachlorbenzol" RELATED [ChEBI] synonym: "pentachlorobenzene" EXACT [ChemIDplus] synonym: "QCB" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1911550 {source="ChemIDplus"} xref: CAS:608-93-5 {source="NIST Chemistry WebBook"} xref: CAS:608-93-5 {source="KEGG COMPOUND"} xref: CAS:608-93-5 {source="ChemIDplus"} xref: Gmelin:51144 {source="Gmelin"} xref: KEGG:C18141 xref: PDBeChem:5CL xref: PMID:10696772 {source="Europe PMC"} xref: PMID:17935782 {source="Europe PMC"} xref: PMID:19298997 {source="Europe PMC"} xref: PMID:24365113 {source="Europe PMC"} xref: PMID:9806169 {source="Europe PMC"} xref: Reaxys:1911550 {source="Reaxys"} xref: Wikipedia:Pentachlorobenzene is_a: CHEBI:83390 ! pentachlorobenzenes relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HCl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CEOCDNVZRAIOQZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "250.33564" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "247.85209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:47217 name: arsane namespace: chebi_ontology alt_id: CHEBI:22636 alt_id: CHEBI:47215 subset: 3_STAR synonym: "[AsH3]" RELATED [IUPAC] synonym: "arsane" EXACT IUPAC_NAME [IUPAC] synonym: "arsenic trihydride" RELATED [NIST_Chemistry_WebBook] synonym: "arsenous hydride" RELATED [NIST_Chemistry_WebBook] synonym: "Arsenwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "arsine" RELATED [NIST_Chemistry_WebBook] synonym: "As" RELATED [KEGG_COMPOUND] synonym: "AsH3" RELATED [IUPAC] synonym: "trihydridoarsenic" EXACT IUPAC_NAME [IUPAC] xref: CAS:7440-38-2 {source="KEGG COMPOUND"} xref: CAS:7784-42-1 {source="ChemIDplus"} xref: CAS:7784-42-1 {source="NIST Chemistry WebBook"} xref: Gmelin:599 {source="Gmelin"} xref: KEGG:C06269 xref: MolBase:1657 is_a: CHEBI:22637 ! arsine is_a: CHEBI:35823 ! arsanes is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:29755 ! arsanide relationship: is_conjugate_base_of CHEBI:30272 ! arsonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RBFQJDQYXXHULB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "77.94542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.94507" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As]([H])[H]" xsd:string [Term] id: CHEBI:472552 name: 5-bromo-2'-deoxyuridine namespace: chebi_ontology alt_id: CHEBI:31310 alt_id: CHEBI:47713 def: "A pyrimidine 2'-deoxyribonucleoside compound having 5-bromouracil as the nucleobase." [] subset: 3_STAR synonym: "5-Bdu" RELATED [ChemIDplus] synonym: "5-bromo-2'-deoxyuridine" EXACT IUPAC_NAME [IUPAC] synonym: "5-Bromodeoxyuridine" RELATED [ChemIDplus] synonym: "5-Bromodesoxyuridine" RELATED [ChemIDplus] synonym: "5-Bromouracil deoxyriboside" RELATED [ChemIDplus] synonym: "5-Bromouracil-2-deoxyriboside" RELATED [ChemIDplus] synonym: "BrdU" RELATED [ChEBI] synonym: "Bromodeoxyuridine" RELATED [ChemIDplus] synonym: "Bromouracil deoxyriboside" RELATED [ChemIDplus] synonym: "broxuridina" RELATED INN [ChemIDplus] synonym: "broxuridine" RELATED INN [ChemIDplus] synonym: "broxuridinum" RELATED INN [ChemIDplus] xref: Beilstein:4236087 {source="Beilstein"} xref: CAS:59-14-3 {source="ChemIDplus"} xref: Drug_Central:3042 {source="DrugCentral"} xref: PDBeChem:U33 xref: PMID:17325220 {source="ChEMBL"} xref: PMID:17341060 {source="ChEMBL"} xref: PMID:3950402 {source="Europe PMC"} xref: Wikipedia:Bromodeoxyuridine is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11BrN2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WOVKYSAHUYNSMH-RRKCRQDMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.09800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.98513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:47266 name: hydrogen bromide namespace: chebi_ontology alt_id: CHEBI:29134 alt_id: CHEBI:31673 def: "A diatomic molecule containing covalently bonded hydrogen and bromine atoms." [] subset: 3_STAR synonym: "[HBr]" RELATED [IUPAC] synonym: "bromane" EXACT IUPAC_NAME [IUPAC] synonym: "bromidohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "bromure d'hydrogene" RELATED [ChEBI] synonym: "Bromwasserstoff" RELATED [NIST_Chemistry_WebBook] synonym: "HBr" RELATED [KEGG_COMPOUND] synonym: "Hydrobromic acid" RELATED [KEGG_COMPOUND] synonym: "hydrogen bromide" EXACT [NIST_Chemistry_WebBook] synonym: "hydrogen bromide" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenbromid" RELATED [ChEBI] xref: CAS:10035-10-6 {source="ChemIDplus"} xref: CAS:10035-10-6 {source="NIST Chemistry WebBook"} xref: CAS:10035-10-6 {source="KEGG COMPOUND"} xref: Gmelin:620 {source="Gmelin"} xref: KEGG:C13645 is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride relationship: has_role CHEBI:75771 ! mouse metabolite relationship: is_conjugate_acid_of CHEBI:15858 ! bromide relationship: is_conjugate_base_of CHEBI:50316 ! bromonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrH" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HBr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CPELXLSAUQHCOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.91194" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.92616" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Br[H]" xsd:string [Term] id: CHEBI:47319 name: chlorimuron-ethyl namespace: chebi_ontology alt_id: CHEBI:3617 def: "An ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops." [] subset: 3_STAR synonym: "Chlorimuron ethyl" RELATED [KEGG_COMPOUND] synonym: "chlorimuron ethyl ester" RELATED [ChemIDplus] synonym: "ethyl 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoate" RELATED [Alan_Wood's_Pesticides] synonym: "ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoate" RELATED [Alan_Wood's_Pesticides] synonym: "ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND500629567 {source="Europe PMC"} xref: AGR:IND500707520 {source="Europe PMC"} xref: CAS:90982-32-4 {source="KEGG COMPOUND"} xref: CAS:90982-32-4 {source="Alan Wood's Pesticides"} xref: CAS:90982-32-4 {source="ChemIDplus"} xref: KEGG:C10943 xref: PDBeChem:CIE xref: Pesticides:derivatives/chlorimuron-ethyl {source="Alan Wood's Pesticides"} xref: PMID:20574870 {source="Europe PMC"} xref: PMID:21361029 {source="Europe PMC"} xref: PMID:21851837 {source="Europe PMC"} xref: PMID:22967225 {source="Europe PMC"} xref: PMID:23137550 {source="Europe PMC"} xref: PMID:23189702 {source="Europe PMC"} xref: PMID:23542325 {source="Europe PMC"} xref: PMID:23792929 {source="Europe PMC"} xref: PMID:24264144 {source="Europe PMC"} xref: PMID:24794985 {source="Europe PMC"} xref: PMID:25028319 {source="Europe PMC"} xref: PMID:25661176 {source="Europe PMC"} xref: PMID:25689050 {source="Europe PMC"} xref: PMID:26363318 {source="Europe PMC"} xref: PMID:26810662 {source="Europe PMC"} xref: PMID:28208114 {source="Europe PMC"} xref: PMID:29268112 {source="Europe PMC"} xref: PMID:29500939 {source="Europe PMC"} xref: PMID:29614448 {source="Europe PMC"} xref: PMID:29621247 {source="Europe PMC"} xref: PMID:29672047 {source="Europe PMC"} xref: PPDB:1145 xref: Reaxys:7448363 {source="Reaxys"} is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38656 ! organochlorine pesticide is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:48471 ! sulfamoylbenzoate is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_functional_parent CHEBI:81953 ! chlorimuron relationship: has_role CHEBI:136646 ! proherbicide relationship: has_role CHEBI:22180 ! EC 2.2.1.6 (acetolactate synthase) inhibitor relationship: has_role CHEBI:33286 ! agrochemical relationship: is_conjugate_acid_of CHEBI:188144 ! chlorimuron-ethyl(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H15ClN4O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSWAMPCUPHPTTC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.822" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.04008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C(N=C1OC)NC(NS(C2=C(C=CC=C2)C(OCC)=O)(=O)=O)=O)Cl" xsd:string [Term] id: CHEBI:4735 name: ethylenediaminetetraacetic acid namespace: chebi_ontology alt_id: CHEBI:42189 subset: 3_STAR synonym: "(ethane-1,2-diyldinitrilo)tetraacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(ethylenedinitrilo)tetraacetic acid" RELATED [ChEBI] synonym: "2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid" RELATED [ChEBI] synonym: "2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid" RELATED [PDBeChem] synonym: "2-([2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino)acetic acid" RELATED [ChEBI] synonym: "acide edetique" RELATED INN [WHO_MedNet] synonym: "acido edetico" RELATED INN [WHO_MedNet] synonym: "acidum edeticum" RELATED INN [WHO_MedNet] synonym: "edathamil" RELATED [ChEBI] synonym: "edetic acid" RELATED INN [WHO_MedNet] synonym: "EDTA" RELATED [KEGG_COMPOUND] synonym: "EDTA (chelating agent)" RELATED [ChEBI] synonym: "ethylene-N,N'-biscarboxymethyl-N,N'-diglycine" RELATED [ChEBI] synonym: "ethylenediamine-N,N,N',N'-tetraacetic acid" RELATED [ChEBI] synonym: "ethylenediaminetetraacetic acid" EXACT [IUPAC] synonym: "ethylenedinitrilotetraacetic acid" RELATED [ChEBI] synonym: "H4edta" RELATED [IUPAC] synonym: "N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine)" RELATED [NIST_Chemistry_WebBook] synonym: "N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine]" RELATED [ChEBI] synonym: "{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID" RELATED [PDBeChem] xref: CAS:60-00-4 {source="ChemIDplus"} xref: CAS:60-00-4 {source="NIST Chemistry WebBook"} xref: Chemspider:5826 xref: Drug_Central:987 {source="DrugCentral"} xref: DrugBank:DB00974 xref: HMDB:HMDB0015109 xref: KEGG:C00284 xref: KEGG:D00052 xref: KNApSAcK:C00062378 xref: PDBeChem:EDT xref: PMID:33351441 {source="Europe PMC"} xref: PMID:34135967 {source="Europe PMC"} xref: PMID:34152137 {source="Europe PMC"} xref: PMID:34277313 {source="Europe PMC"} xref: PMID:34370848 {source="Europe PMC"} xref: PMID:34481414 {source="Europe PMC"} xref: PMID:35006635 {source="Europe PMC"} xref: PMID:35305029 {source="Europe PMC"} xref: PMID:35343279 {source="Europe PMC"} xref: PMID:35859250 {source="Europe PMC"} xref: PMID:35936934 {source="Europe PMC"} xref: PMID:35964552 {source="Europe PMC"} xref: PMID:36187868 {source="Europe PMC"} xref: PMID:36200920 {source="Europe PMC"} xref: PMID:36229181 {source="Europe PMC"} xref: PMID:36265367 {source="Europe PMC"} xref: PMID:36297869 {source="Europe PMC"} xref: PMID:36314569 {source="Europe PMC"} xref: PMID:36348502 {source="Europe PMC"} xref: PMID:36540522 {source="Europe PMC"} xref: PMID:36566396 {source="Europe PMC"} xref: PMID:36597320 {source="Europe PMC"} xref: PPDB:1337 xref: Reaxys:1716295 {source="Reaxys"} xref: Wikipedia:Ethylenediaminetetraacetic_acid is_a: CHEBI:31577 ! ethylenediamine derivative is_a: CHEBI:35742 ! tetracarboxylic acid is_a: CHEBI:60892 ! polyamino carboxylic acid relationship: has_role CHEBI:166831 ! copper chelator relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:50247 ! antidote relationship: has_role CHEBI:50249 ! anticoagulant relationship: is_conjugate_acid_of CHEBI:64755 ! EDTA(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCXVZYZYPLLWCC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.244" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.09067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O" xsd:string [Term] id: CHEBI:4738 name: EPTC namespace: chebi_ontology subset: 2_STAR synonym: "EPTC" EXACT [KEGG_COMPOUND] synonym: "S-Ethyl dipropylthiocarbamate" RELATED [KEGG_COMPOUND] xref: CAS:759-94-4 {source="KEGG COMPOUND"} xref: KEGG:C11081 xref: PPDB:268 is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H19NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUVLYNGULCJVDO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "189.320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "189.11874" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCC)C(=O)SCC" xsd:string [Term] id: CHEBI:47381 name: diclofenac namespace: chebi_ontology alt_id: CHEBI:4507 alt_id: CHEBI:47380 def: "A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position." [] subset: 3_STAR synonym: "2-((2,6-dichlorophenyl)amino)benzeneacetic acid" RELATED [ChemIDplus] synonym: "2-[(2,6-dichlorophenyl)amino]benzeneacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "[2-(2,6-dichloroanilino)phenyl]acetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Diclofenac" EXACT [KEGG_COMPOUND] synonym: "diclofenac" RELATED INN [ChemIDplus] synonym: "diclofenac acid" RELATED [ChemIDplus] synonym: "diclofenaco" RELATED INN [ChemIDplus] synonym: "diclofenacum" RELATED INN [ChemIDplus] synonym: "diclofenamic acid" RELATED [DrugCentral] synonym: "{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2146636 {source="Beilstein"} xref: CAS:15307-86-5 {source="NIST Chemistry WebBook"} xref: CAS:15307-86-5 {source="ChemIDplus"} xref: CAS:15307-86-5 {source="KEGG COMPOUND"} xref: Drug_Central:865 {source="DrugCentral"} xref: DrugBank:DB00586 xref: HMDB:HMDB0014724 xref: KEGG:C01690 xref: KEGG:D07816 xref: LINCS:LSM-2160 xref: Patent:NL6604752 xref: Patent:US3558690 xref: PDBeChem:DIF xref: PMID:11322639 {source="Europe PMC"} xref: PMID:1502708 {source="Europe PMC"} xref: PMID:23777257 {source="Europe PMC"} xref: PMID:27967303 {source="Europe PMC"} xref: PMID:7838674 {source="Europe PMC"} xref: Reaxys:2146636 {source="Reaxys"} xref: VSDB:1933 xref: Wikipedia:Diclofenac is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33709 ! amino acid is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:50995 ! secondary amino compound relationship: has_functional_parent CHEBI:30745 ! phenylacetic acid relationship: has_functional_parent CHEBI:4640 ! diphenylamine relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:48311 ! diclofenac(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11Cl2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCOPUUMXTXDBNB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "295.01668" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl" xsd:string [Term] id: CHEBI:47426 name: furosemide namespace: chebi_ontology alt_id: CHEBI:47425 alt_id: CHEBI:5198 def: "A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure." [] subset: 3_STAR synonym: "2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid" RELATED [ChemIDplus] synonym: "4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-Chloro-5-sulfamoyl-N-furfuryl-anthranilic acid" RELATED [ChemIDplus] synonym: "4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid" RELATED [ChemIDplus] synonym: "4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid" RELATED [ChemIDplus] synonym: "Frusemide" RELATED [KEGG_DRUG] synonym: "Furosemide" EXACT [KEGG_DRUG] synonym: "Lasix (TN)" RELATED [KEGG_DRUG] xref: CAS:54-31-9 {source="ChemIDplus"} xref: CAS:54-31-9 {source="KEGG DRUG"} xref: Drug_Central:1258 {source="DrugCentral"} xref: DrugBank:DB00695 xref: HMDB:HMDB0001933 xref: KEGG:D00331 xref: LINCS:LSM-5847 xref: PMID:15286542 {source="Europe PMC"} xref: PMID:18701232 {source="Europe PMC"} xref: Reaxys:1399731 {source="Reaxys"} xref: VSDB:1770 xref: Wikipedia:Furosemide is_a: CHEBI:23134 ! chlorobenzoic acid is_a: CHEBI:24129 ! furans is_a: CHEBI:35358 ! sulfonamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77608 ! loop diuretic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11ClN2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZZUFCTLCJUWOSV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.74400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.00772" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl" xsd:string [Term] id: CHEBI:474859 name: maleic anhydride namespace: chebi_ontology def: "A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid." [] subset: 3_STAR synonym: "2,5-Furandione" RELATED [ChemIDplus] synonym: "cis-Butenedioic anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "Dihydro-2,5-dioxofuran" RELATED [ChemIDplus] synonym: "furan-2,5-dione" EXACT IUPAC_NAME [IUPAC] synonym: "MA" RELATED [ChEBI] synonym: "Maleic acid anhydride" RELATED [ChemIDplus] synonym: "Toxilic anhydride" RELATED [ChemIDplus] xref: Beilstein:106909 {source="Beilstein"} xref: CAS:108-31-6 {source="NIST Chemistry WebBook"} xref: CAS:108-31-6 {source="ChemIDplus"} xref: Gmelin:2728 {source="Gmelin"} xref: PMID:1789402 {source="Europe PMC"} xref: PMID:24315947 {source="Europe PMC"} xref: PMID:26073302 {source="Europe PMC"} xref: PMID:26328347 {source="Europe PMC"} xref: PMID:26639665 {source="Europe PMC"} xref: PMID:26961914 {source="Europe PMC"} xref: PMID:3711550 {source="Europe PMC"} xref: Reaxys:106909 {source="Reaxys"} xref: Wikipedia:Maleic_anhydride is_a: CHEBI:24129 ! furans is_a: CHEBI:36609 ! cyclic dicarboxylic anhydride relationship: has_role CHEBI:50904 ! allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPYJFEHAWHCUMM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.05690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1OC(=O)C=C1" xsd:string [Term] id: CHEBI:47499 name: imipramine namespace: chebi_ontology alt_id: CHEBI:47498 alt_id: CHEBI:5881 def: "A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom." [] subset: 3_STAR synonym: "10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine" RELATED [NIST_Chemistry_WebBook] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE" RELATED [PDBeChem] synonym: "5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine" RELATED [NIST_Chemistry_WebBook] synonym: "Antideprin" RELATED BRAND_NAME [DrugBank] synonym: "Imipramin" RELATED [ChEBI] synonym: "Imipramine" EXACT [KEGG_COMPOUND] synonym: "imipramine" RELATED INN [ChemIDplus] synonym: "imipraminum" RELATED INN [ChemIDplus] synonym: "imizine" RELATED [NIST_Chemistry_WebBook] synonym: "Irmin" RELATED BRAND_NAME [ChemIDplus] synonym: "Melipramine" RELATED BRAND_NAME [ChemIDplus] synonym: "N-(gamma-dimethylaminopropyl)iminodibenzyl" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:256892 {source="Beilstein"} xref: CAS:50-49-7 {source="ChemIDplus"} xref: CAS:50-49-7 {source="NIST Chemistry WebBook"} xref: CAS:50-49-7 {source="KEGG COMPOUND"} xref: Drug_Central:1427 {source="DrugCentral"} xref: DrugBank:DB00458 xref: Gmelin:1572523 {source="Gmelin"} xref: HMDB:HMDB0001848 xref: KEGG:C07049 xref: KEGG:D08070 xref: LINCS:LSM-2852 xref: Patent:US2554736 xref: PDBeChem:IXX xref: PMID:20825390 {source="Europe PMC"} xref: Reaxys:256892 {source="Reaxys"} xref: Wikipedia:Imipramine is_a: CHEBI:47804 ! dibenzoazepine relationship: has_parent_hydride CHEBI:47802 ! 5H-dibenzo[b,f]azepine relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H24N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BCGWQEUPMDMJNV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.40734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.19395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCCN1c2ccccc2CCc2ccccc12" xsd:string [Term] id: CHEBI:47553 name: 2-chloroethyl group namespace: chebi_ontology subset: 3_STAR synonym: "2-chloroethyl" EXACT IUPAC_NAME [IUPAC] synonym: "CHLOROETHYL GROUP" RELATED [PDBeChem] is_a: CHEBI:50491 ! haloalkyl group relationship: is_substituent_group_from CHEBI:47554 ! chloroethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.50586" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.00015" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(Cl)C*" xsd:string [Term] id: CHEBI:47554 name: chloroethane namespace: chebi_ontology alt_id: CHEBI:36019 def: "The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead." [] subset: 3_STAR synonym: "1-chloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "Aethylchlorid" RELATED [ChEBI] synonym: "aethylii chloridum" RELATED [ChEBI] synonym: "C2H5Cl" RELATED [IUPAC] synonym: "Chloraethan" RELATED [ChEBI] synonym: "chlorethyl" RELATED [ChemIDplus] synonym: "chloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "chloroethane" EXACT [UniProt] synonym: "EtCl" RELATED [IUPAC] synonym: "Ethyl chloride" RELATED [KEGG_COMPOUND] synonym: "ethyl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "mono-chloroethane" RELATED [ChEBI] synonym: "monochlorethane" RELATED [NIST_Chemistry_WebBook] synonym: "monochloroethane" RELATED [ChemIDplus] synonym: "Muriatic ether" RELATED [ChemIDplus] xref: Beilstein:1730751 {source="Beilstein"} xref: CAS:75-00-3 {source="ChemIDplus"} xref: CAS:75-00-3 {source="NIST Chemistry WebBook"} xref: CAS:75-00-3 {source="KEGG COMPOUND"} xref: Drug_Central:3196 {source="DrugCentral"} xref: Gmelin:100545 {source="Gmelin"} xref: KEGG:C18248 xref: KEGG:D04088 xref: Patent:CN101844962 xref: Patent:US2396639 xref: PMID:19078818 {source="Europe PMC"} xref: PMID:19769833 {source="Europe PMC"} xref: PMID:19958731 {source="Europe PMC"} xref: PMID:21099198 {source="Europe PMC"} xref: PMID:21137521 {source="Europe PMC"} xref: PMID:8210013 {source="Europe PMC"} xref: Reaxys:1730751 {source="Reaxys"} xref: Wikipedia:Chloroethane is_a: CHEBI:36016 ! chloroethanes relationship: has_role CHEBI:36333 ! local anaesthetic relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:59683 ! antipruritic drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRYZWHHZPQKTII-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "64.51380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.00798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCl" xsd:string [Term] id: CHEBI:47600 name: purvalanol A namespace: chebi_ontology alt_id: CHEBI:38935 alt_id: CHEBI:47599 subset: 3_STAR synonym: "(2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine" RELATED [ChemIDplus] synonym: "Purv" RELATED [ChemIDplus] xref: Beilstein:8645511 {source="Beilstein"} xref: CAS:212844-53-6 {source="ChemIDplus"} xref: DrugBank:DB04751 xref: LINCS:LSM-3118 is_a: CHEBI:38934 ! purvalanol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H25ClN6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMXCMJLOPOFPBT-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "388.89434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "388.17784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1" xsd:string [Term] id: CHEBI:47612 name: bezafibrate namespace: chebi_ontology alt_id: CHEBI:31284 alt_id: CHEBI:47611 def: "A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia." [] subset: 3_STAR synonym: "2-(p-(2-(p-Chlorobenzamido)ethyl)phenoxy)-2-methylpropionic acid" RELATED [ChemIDplus] synonym: "2-{4-[2-(4-chlorobenzamido)ethyl]phenoxy}-2-methylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Befizal" RELATED BRAND_NAME [DrugBank] synonym: "bezafibrate" RELATED INN [ChemIDplus] synonym: "bezafibrato" RELATED INN [DrugBank] synonym: "bezafibratum" RELATED INN [DrugBank] synonym: "Bezalip" RELATED BRAND_NAME [DrugBank] synonym: "Bezatol SR (TN)" RELATED [KEGG_DRUG] synonym: "Cedur" RELATED [ChEBI] xref: CAS:41859-67-0 {source="ChemIDplus"} xref: CAS:41859-67-0 {source="KEGG DRUG"} xref: Chemspider:35728 xref: Drug_Central:362 {source="DrugCentral"} xref: DrugBank:DB01393 xref: HMDB:HMDB0015465 xref: KEGG:D01366 xref: LINCS:LSM-3015 xref: Patent:DE2149070 xref: Patent:US3781328 xref: PDBeChem:PEM xref: PMID:12122004 {source="Europe PMC"} xref: PMID:12782154 {source="Europe PMC"} xref: PMID:17379010 {source="Europe PMC"} xref: PMID:18787029 {source="Europe PMC"} xref: PMID:19131462 {source="Europe PMC"} xref: PMID:23603800 {source="Europe PMC"} xref: PMID:28931607 {source="Europe PMC"} xref: PMID:32107855 {source="Europe PMC"} xref: PMID:32509533 {source="Europe PMC"} xref: PMID:32721217 {source="Europe PMC"} xref: PMID:32798077 {source="Europe PMC"} xref: PMID:32976735 {source="Europe PMC"} xref: PMID:33205029 {source="Europe PMC"} xref: PMID:33549744 {source="Europe PMC"} xref: PMID:34447954 {source="Europe PMC"} xref: Reaxys:4267656 {source="Reaxys"} xref: Wikipedia:Bezafibrate is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35679 ! antilipemic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20ClNO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IIBYAHWJQTYFKB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "361.820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.10809" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O" xsd:string [Term] id: CHEBI:47622 name: acetate ester namespace: chebi_ontology alt_id: CHEBI:13244 alt_id: CHEBI:13799 alt_id: CHEBI:22189 alt_id: CHEBI:2406 def: "Any carboxylic ester where the carboxylic acid component is acetic acid." [] subset: 3_STAR synonym: "acetate" RELATED [ChEBI] synonym: "acetate esters" RELATED [ChEBI] synonym: "acetates" RELATED [ChEBI] synonym: "Acetic ester" RELATED [KEGG_COMPOUND] synonym: "Acetyl ester" RELATED [KEGG_COMPOUND] synonym: "acetyl esters" RELATED [ChEBI] synonym: "an acetyl ester" RELATED [UniProt] xref: KEGG:C01883 xref: Wikipedia:Acetate#Esters is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:15366 ! acetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.04400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)O[*]" xsd:string [Term] id: CHEBI:47696 name: 2,4,6-tribromophenol namespace: chebi_ontology alt_id: CHEBI:34234 def: "A bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. It is commonly used as a fungicide and in the preparation of flame retardants." [] subset: 3_STAR synonym: "2,4,6-TBP" RELATED [ChEBI] synonym: "Bromol" RELATED [ChemIDplus] synonym: "Tribromophenol" RELATED [ChemIDplus] synonym: "Xeroform" RELATED [ChemIDplus] xref: CAS:118-79-6 {source="ChemIDplus"} xref: CAS:118-79-6 {source="NIST Chemistry WebBook"} xref: CAS:118-79-6 {source="KEGG COMPOUND"} xref: DrugBank:DB02417 xref: HMDB:HMDB0029642 xref: KEGG:C14454 xref: PDBeChem:TBP xref: PMID:16134480 {source="Europe PMC"} xref: PMID:18460800 {source="Europe PMC"} xref: PMID:19701836 {source="Europe PMC"} xref: PMID:19931292 {source="Europe PMC"} xref: PMID:24263137 {source="Europe PMC"} xref: Reaxys:776920 {source="Reaxys"} xref: Wikipedia:2\,4\,6-tribromophenol is_a: CHEBI:33624 ! bromophenol relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Br3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSWWXRFVMJHFBN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.77340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=C(C=C(C1)Br)Br)O)Br" xsd:string [Term] id: CHEBI:47704 name: ammonium salt namespace: chebi_ontology subset: 3_STAR synonym: "ammonium salt" EXACT [ChEBI] synonym: "ammonium salts" RELATED [ChEBI] synonym: "Ammoniumsalz" RELATED [ChEBI] synonym: "Ammoniumsalze" RELATED [ChEBI] is_a: CHEBI:35276 ! ammonium compound relationship: has_part CHEBI:28938 ! ammonium property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:47774 name: low-density lipoprotein cholesterol namespace: chebi_ontology def: "Cholesterol esters and free cholesterol which are contained in or bound to low-density lipoproteins (LDL)." [] subset: 3_STAR synonym: "beta-lipoprotein cholesterol" RELATED [ChEBI] synonym: "LDL cholesterol" RELATED [ChEBI] synonym: "LDL-C" RELATED [ChEBI] is_a: CHEBI:50404 ! lipoprotein cholesterol [Term] id: CHEBI:47775 name: high-density lipoprotein cholesterol namespace: chebi_ontology def: "Cholesterol esters and free cholesterol which are contained in or bound to high-density lipoproteins (HDL)." [] subset: 3_STAR synonym: "alpha-lipoprotein cholesterol" RELATED [ChEBI] synonym: "HDL cholesterol" RELATED [ChEBI] synonym: "HDL-C" RELATED [ChEBI] is_a: CHEBI:50404 ! lipoprotein cholesterol [Term] id: CHEBI:47778 name: glyceride namespace: chebi_ontology alt_id: CHEBI:13730 alt_id: CHEBI:22230 def: "Any ester resulting from the condensation of one or more of the hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." [] subset: 3_STAR synonym: "acylglycerols" RELATED [ChEBI] synonym: "glyceride" EXACT [ChEBI] synonym: "glycerides" EXACT IUPAC_NAME [IUPAC] synonym: "glycerides" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35741 ! glycerolipid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:47779 name: aminoglycoside namespace: chebi_ontology subset: 3_STAR synonym: "aminoglycosides" RELATED [ChEBI] is_a: CHEBI:24400 ! glycoside [Term] id: CHEBI:47781 name: desipramine namespace: chebi_ontology alt_id: CHEBI:4448 alt_id: CHEBI:47393 def: "A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group." [] subset: 3_STAR synonym: "3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE" RELATED [PDBeChem] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "5-(gamma-methylaminopropyl)iminodibenzyl" RELATED [ChemIDplus] synonym: "demethylimipramine" RELATED [ChemIDplus] synonym: "Desipramin" RELATED [ChemIDplus] synonym: "desipramina" RELATED INN [ChEBI] synonym: "Desipramine" EXACT [KEGG_COMPOUND] synonym: "desipramine" RELATED INN [ChEBI] synonym: "desipraminum" RELATED INN [ChEBI] synonym: "desmethylimipramine" RELATED [NIST_Chemistry_WebBook] synonym: "DMI" RELATED [ChemIDplus] synonym: "monodemethylimipramine" RELATED [ChemIDplus] synonym: "N-(3-methylaminopropyl)iminobibenzyl" RELATED [ChemIDplus] synonym: "norimipramine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1432747 {source="ChemIDplus"} xref: CAS:50-47-5 {source="ChemIDplus"} xref: CAS:50-47-5 {source="NIST Chemistry WebBook"} xref: CAS:50-47-5 {source="KEGG COMPOUND"} xref: Drug_Central:812 {source="DrugCentral"} xref: DrugBank:DB01151 xref: HMDB:HMDB0015282 xref: KEGG:C06943 xref: KEGG:D07791 xref: LINCS:LSM-3351 xref: PDBeChem:DSM xref: PMID:11041270 {source="Europe PMC"} xref: PMID:11287497 {source="Europe PMC"} xref: PMID:19328214 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:24399719 {source="Europe PMC"} xref: Reaxys:1432747 {source="Reaxys"} xref: Wikipedia:Desipramine is_a: CHEBI:47804 ! dibenzoazepine is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist relationship: has_role CHEBI:37955 ! H1-receptor antagonist relationship: has_role CHEBI:48873 ! cholinergic antagonist relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: has_role CHEBI:76811 ! EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H22N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCYAFALTSJYZDH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.38076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.17830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCCCN1c2ccccc2CCc2ccccc12" xsd:string [Term] id: CHEBI:47783 name: cyclopentafuran namespace: chebi_ontology subset: 3_STAR synonym: "cyclopentafurans" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:47787 name: 11-oxo steroid namespace: chebi_ontology alt_id: CHEBI:13773 alt_id: CHEBI:19127 alt_id: CHEBI:725 def: "Any oxo steroid that has an oxo substituent at position 11." [] subset: 3_STAR synonym: "11-oxo steroids" RELATED [ChEBI] synonym: "11-Oxosteroid" RELATED [KEGG_COMPOUND] synonym: "11-oxosteroids" RELATED [ChEBI] synonym: "an 11-oxosteroid" RELATED [UniProt] xref: KEGG:C01985 is_a: CHEBI:35789 ! oxo steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H29OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.22184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12(CCCCC1CCC3C2C(CC4(C3CCC4*)C)=O)C" xsd:string [Term] id: CHEBI:47788 name: 3-oxo steroid namespace: chebi_ontology alt_id: CHEBI:13607 alt_id: CHEBI:1653 alt_id: CHEBI:20182 alt_id: CHEBI:71186 def: "Any oxo steroid where an oxo substituent is located at position 3." [] subset: 3_STAR synonym: "3-oxo steroids" RELATED [ChEBI] synonym: "3-Oxosteroid" RELATED [KEGG_COMPOUND] synonym: "3-oxosteroids" RELATED [ChEBI] synonym: "a 3-oxosteroid" RELATED [UniProt] xref: KEGG:C01876 xref: MetaCyc:3-Oxosteroids xref: PMID:9811880 {source="SUBMITTER"} is_a: CHEBI:35789 ! oxo steroid is_a: CHEBI:3992 ! cyclic ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H29OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.22184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)=O)C" xsd:string [Term] id: CHEBI:47802 name: 5H-dibenzo[b,f]azepine namespace: chebi_ontology def: "A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings." [] subset: 3_STAR synonym: "2,2'-iminostilbene" RELATED [ChemIDplus] synonym: "2,3,6,7-dibenzazepine" RELATED [NIST_Chemistry_WebBook] synonym: "5H-Dibenz[b,f]azepin" RELATED [NIST_Chemistry_WebBook] synonym: "5H-dibenz[b,f]azepine" RELATED [NIST_Chemistry_WebBook] synonym: "5H-dibenzazepine" RELATED [ChEBI] synonym: "5H-dibenzo[b,f]azepine" EXACT IUPAC_NAME [IUPAC] synonym: "dibenz(b,f)azepine" RELATED [NIST_Chemistry_WebBook] synonym: "dibenzazepine" RELATED [ChEBI] synonym: "iminostilbene" RELATED [ChemIDplus] synonym: "o,o'-iminostilbene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1343358 {source="Beilstein"} xref: CAS:256-96-2 {source="NIST Chemistry WebBook"} xref: CAS:256-96-2 {source="ChemIDplus"} xref: Chemspider:8857 xref: PDBeChem:ONB xref: PMID:11767950 {source="Europe PMC"} xref: PMID:12052500 {source="Europe PMC"} xref: PMID:12061877 {source="Europe PMC"} xref: PMID:15837018 {source="Europe PMC"} xref: PMID:16203183 {source="Europe PMC"} xref: PMID:17236778 {source="Europe PMC"} xref: PMID:18779941 {source="Europe PMC"} xref: PMID:19486265 {source="Europe PMC"} xref: PMID:19774656 {source="Europe PMC"} xref: PMID:20922935 {source="Europe PMC"} xref: PMID:21087114 {source="Europe PMC"} xref: PMID:21441615 {source="Europe PMC"} xref: PMID:22322005 {source="Europe PMC"} xref: PMID:22751668 {source="Europe PMC"} xref: PMID:2322636 {source="Europe PMC"} xref: PMID:24358274 {source="Europe PMC"} xref: PMID:27175105 {source="Europe PMC"} xref: PMID:27389944 {source="Europe PMC"} xref: PMID:27807790 {source="Europe PMC"} xref: PMID:30660838 {source="Europe PMC"} xref: PMID:30754023 {source="Europe PMC"} xref: PMID:30823329 {source="Europe PMC"} xref: PMID:31718245 {source="Europe PMC"} xref: PMID:33381027 {source="Europe PMC"} xref: PMID:33842007 {source="Europe PMC"} xref: PMID:3680120 {source="Europe PMC"} xref: PMID:4146691 {source="Europe PMC"} xref: PMID:5982986 {source="Europe PMC"} xref: PMID:7587936 {source="Europe PMC"} xref: PMID:8385460 {source="Europe PMC"} xref: PMID:870507 {source="Europe PMC"} xref: Reaxys:1343358 {source="Reaxys"} xref: Wikipedia:Dibenzazepine is_a: CHEBI:36416 ! mancude organic heterotricyclic parent is_a: CHEBI:47804 ! dibenzoazepine relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCGTWRLJTMHIQZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "193.249" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1C2=C(C=CC=C2)C=CC2=C1C=CC=C2" xsd:string [Term] id: CHEBI:47804 name: dibenzoazepine namespace: chebi_ontology subset: 3_STAR synonym: "dibenzazepine" RELATED [ChEBI] synonym: "dibenzoazepine" EXACT [ChEBI] synonym: "dibenzoazepines" RELATED [ChEBI] is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:47835 name: levibuprofen namespace: chebi_ontology subset: 3_STAR synonym: "(-)-ibuprofen" RELATED [ChemIDplus] synonym: "(2R)-2-(4-isobutylphenyl)propanoic acid" RELATED [ChEBI] synonym: "(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid" RELATED [ChemIDplus] xref: Beilstein:3590021 {source="Beilstein"} xref: Beilstein:3590023 {source="Beilstein"} xref: CAS:51146-57-7 {source="ChemIDplus"} is_a: CHEBI:5855 ! ibuprofen relationship: is_enantiomer_of CHEBI:43415 ! dexibuprofen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEFNNWSXXWATRW-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.28082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.13068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O" xsd:string [Term] id: CHEBI:47856 name: citronellal namespace: chebi_ontology def: "A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma." [] subset: 3_STAR synonym: "2,3-dihydrocitral" RELATED [NIST_Chemistry_WebBook] synonym: "3,7-dimethyl-6-octen-1-al" RELATED [ChemIDplus] synonym: "3,7-dimethyl-6-octenal" RELATED [ChemIDplus] synonym: "3,7-dimethyloct-6-enal" EXACT IUPAC_NAME [IUPAC] synonym: "beta-citronellal" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1209447 {source="Beilstein"} xref: Beilstein:1720789 {source="Beilstein"} xref: CAS:106-23-0 {source="KEGG COMPOUND"} xref: CAS:106-23-0 {source="NIST Chemistry WebBook"} xref: CAS:106-23-0 {source="ChemIDplus"} xref: Gmelin:1521962 {source="Gmelin"} xref: KEGG:C17384 xref: PMID:10771133 {source="Europe PMC"} xref: PMID:22382815 {source="Europe PMC"} xref: PMID:22559719 {source="Europe PMC"} xref: PMID:22972327 {source="Europe PMC"} xref: PMID:23047114 {source="Europe PMC"} xref: PMID:23064632 {source="Europe PMC"} xref: PMID:23065287 {source="Europe PMC"} xref: PMID:23071142 {source="Europe PMC"} xref: PMID:9540973 {source="Europe PMC"} xref: Wikipedia:Citronellal is_a: CHEBI:17478 ! aldehyde is_a: CHEBI:25409 ! monoterpenoid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35718 ! antifungal agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NEHNMFOYXAPHSD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.24932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)CC(C)CCC=C(C)C" xsd:string [Term] id: CHEBI:47857 name: ureas namespace: chebi_ontology alt_id: CHEBI:27220 alt_id: CHEBI:36947 subset: 3_STAR synonym: "urea derivatives" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide relationship: has_functional_parent CHEBI:16199 ! urea [Term] id: CHEBI:47867 name: indicator namespace: chebi_ontology def: "Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc." [] subset: 3_STAR synonym: "Indikator" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:47868 name: photosensitizing agent namespace: chebi_ontology def: "A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells." [] subset: 3_STAR synonym: "photosensitising agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:47869 name: thioglycolate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "mercaptoacetic acid, ion(2-)" RELATED [ChemIDplus] synonym: "sulfidoacetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3903781 {source="Beilstein"} xref: CAS:16561-17-4 {source="ChemIDplus"} xref: Gmelin:324389 {source="Gmelin"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:30066 ! thioglycolate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWERGRDVMFNCDR-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.10208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.97865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C[S-]" xsd:string [Term] id: CHEBI:47875 name: tetrabromomethane namespace: chebi_ontology def: "A one-carbon compound substituted by 4 bromo groups." [] subset: 3_STAR synonym: "carbon bromide" RELATED [NIST_Chemistry_WebBook] synonym: "carbon tetrabromide" RELATED [ChemIDplus] synonym: "CBr4" RELATED [IUPAC] synonym: "Kohlenstofftetrabromid" RELATED [ChEBI] synonym: "methane tetrabromide" RELATED [NIST_Chemistry_WebBook] synonym: "tetrabromidocarbon" RELATED [IUPAC] synonym: "Tetrabromkohlenstoff" RELATED [ChEBI] synonym: "Tetrabrommethan" RELATED [ChEBI] synonym: "tetrabromomethane" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1732799 {source="ChemIDplus"} xref: CAS:558-13-4 {source="ChemIDplus"} xref: CAS:558-13-4 {source="NIST Chemistry WebBook"} xref: Gmelin:26450 {source="Gmelin"} xref: PMID:24062826 {source="Europe PMC"} xref: PMID:24180643 {source="Europe PMC"} xref: PMID:24336817 {source="Europe PMC"} xref: Reaxys:1732799 {source="Reaxys"} xref: Wikipedia:Tetrabromomethane is_a: CHEBI:39278 ! bromomethanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CBr4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CBr4/c2-1(3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HJUGFYREWKUQJT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.62670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.67335" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "BrC(Br)(Br)Br" xsd:string [Term] id: CHEBI:47880 name: steroid ester namespace: chebi_ontology alt_id: CHEBI:26762 subset: 3_STAR synonym: "steroid esters" RELATED [ChEBI] xref: KEGG:C15506 is_a: CHEBI:35341 ! steroid is_a: CHEBI:35701 ! ester [Term] id: CHEBI:47881 name: 3-oxo monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:13600 alt_id: CHEBI:1619 alt_id: CHEBI:35949 subset: 3_STAR synonym: "3-Keto acid" RELATED [KEGG_COMPOUND] synonym: "3-Oxo acid" RELATED [KEGG_COMPOUND] synonym: "3-oxo monocarboxylic acids" RELATED [ChEBI] synonym: "3-oxomonocarboxylic acid" RELATED [ChEBI] synonym: "3-oxomonocarboxylic acids" RELATED [ChEBI] xref: KEGG:C01656 is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:35973 ! 3-oxo monocarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2O3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.046" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.00039" xsd:string [Term] id: CHEBI:47882 name: cyclic polypyrrole namespace: chebi_ontology subset: 3_STAR synonym: "cyclic polypyrroles" RELATED [ChEBI] synonym: "macrocyclic polypyrroles" EXACT IUPAC_NAME [IUPAC] synonym: "polypyrrole macrocycles" RELATED [ChEBI] is_a: CHEBI:38077 ! polypyrrole [Term] id: CHEBI:47891 name: steroid acid namespace: chebi_ontology def: "Any steroid substituted by at least one carboxy group." [] subset: 3_STAR synonym: "steroid acids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:64709 ! organic acid relationship: is_conjugate_acid_of CHEBI:50160 ! steroid acid anion [Term] id: CHEBI:47898 name: 4'-epidoxorubicin namespace: chebi_ontology def: "An anthracycline that is the 4'-epi-isomer of doxorubicin." [] subset: 3_STAR synonym: "(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "4'-Epiadriamycin" RELATED [ChemIDplus] synonym: "Epiadriamycin" RELATED [ChemIDplus] synonym: "epirubicin" RELATED INN [ChemIDplus] synonym: "epirubicina" RELATED [ChemIDplus] synonym: "epirubicine" RELATED [ChemIDplus] synonym: "epirubicinum" RELATED [ChemIDplus] synonym: "pidorubicina" RELATED [ChemIDplus] synonym: "pidorubicine" RELATED [ChemIDplus] synonym: "pidorubicinum" RELATED [ChemIDplus] xref: Beilstein:1445812 {source="Beilstein"} xref: CAS:56420-45-2 {source="ChemIDplus"} xref: CAS:56420-45-2 {source="KEGG COMPOUND"} xref: Drug_Central:1030 {source="DrugCentral"} xref: DrugBank:DB00445 xref: KEGG:C11230 xref: KEGG:D07901 xref: LINCS:LSM-2078 xref: Patent:DE2510866 xref: Patent:US4058519 xref: PDBeChem:DM6 xref: PMID:11432615 {source="Europe PMC"} xref: PMID:15821120 {source="Europe PMC"} xref: PMID:16005104 {source="Europe PMC"} xref: PMID:17604344 {source="Europe PMC"} xref: PMID:18838875 {source="Europe PMC"} xref: Reaxys:1445812 {source="Reaxys"} is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:25830 ! p-quinones is_a: CHEBI:35315 ! deoxy hexoside is_a: CHEBI:47779 ! aminoglycoside is_a: CHEBI:49322 ! anthracycline antibiotic is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:28748 ! doxorubicin relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: is_conjugate_acid_of CHEBI:41983 ! 4'-epidoxorubicinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H29NO11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AOJJSUZBOXZQNB-VTZDEGQISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "543.51930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "543.17406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO" xsd:string [Term] id: CHEBI:47901 name: alkanesulfonic acid namespace: chebi_ontology alt_id: CHEBI:13809 alt_id: CHEBI:33553 def: "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group." [] subset: 3_STAR synonym: "alkanesulfonic acids" RELATED [ChEBI] synonym: "alkylsulfonic acids" RELATED [ChEBI] is_a: CHEBI:33551 ! organosulfonic acid relationship: has_part CHEBI:22323 ! alkyl group [Term] id: CHEBI:47908 name: alkanethiol namespace: chebi_ontology alt_id: CHEBI:13812 alt_id: CHEBI:22328 alt_id: CHEBI:2585 def: "An alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group." [] subset: 3_STAR synonym: "alkanethiols" RELATED [ChEBI] synonym: "Alkyl thiol" RELATED [KEGG_COMPOUND] synonym: "alkyl thiols" RELATED [ChEBI] synonym: "an alkyl thiol" RELATED [UniProt] xref: KEGG:C00812 is_a: CHEBI:29256 ! thiol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*S" xsd:string [Term] id: CHEBI:47909 name: 3-oxo-Delta(4) steroid namespace: chebi_ontology alt_id: CHEBI:13604 alt_id: CHEBI:1626 alt_id: CHEBI:20157 def: "A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "3-oxo Delta(4)-steroid" RELATED [ChEBI] synonym: "3-oxo Delta(4)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(4) steroids" RELATED [ChEBI] synonym: "3-Oxo-delta4-steroid" RELATED [KEGG_COMPOUND] synonym: "a 3-oxo-Delta(4)-steroid" RELATED [UniProt] xref: KEGG:C00619 xref: MetaCyc:3-Oxo-Delta-4-Steroids is_a: CHEBI:47788 ! 3-oxo steroid is_a: CHEBI:51689 ! enone relationship: has_part CHEBI:136849 ! 3-oxo-Delta(4)-steroid group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H27OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.20619" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC=4C2(CCC(C4)=O)C" xsd:string [Term] id: CHEBI:4791 name: endosulfan namespace: chebi_ontology def: "A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10." [] subset: 3_STAR synonym: "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite" RELATED [ChemIDplus] synonym: "1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite" RELATED [ChemIDplus] synonym: "1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide" RELATED [IUPAC] synonym: "6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite" RELATED [ChemIDplus] synonym: "Benzoepin" RELATED [KEGG_COMPOUND] synonym: "Endosulfan" EXACT [KEGG_COMPOUND] xref: Beilstein:1262315 {source="Beilstein"} xref: CAS:115-29-7 {source="ChemIDplus"} xref: CAS:115-29-7 {source="NIST Chemistry WebBook"} xref: CAS:115-29-7 {source="KEGG COMPOUND"} xref: KEGG:C11090 xref: Patent:CN102601109 xref: Patent:CN103074276 xref: Patent:ZW5287 xref: PPDB:264 xref: Reaxys:1262315 {source="Reaxys"} xref: Wikipedia:Endosulfan is_a: CHEBI:23457 ! cyclodiene organochlorine insecticide is_a: CHEBI:39089 ! cyclic sulfite ester relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6Cl6O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RDYMFSUJUZBWLH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.92434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.81688" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl" xsd:string [Term] id: CHEBI:47910 name: S-substituted L-cysteine namespace: chebi_ontology alt_id: CHEBI:13794 alt_id: CHEBI:8969 subset: 3_STAR synonym: "R-S-Cysteine" RELATED [KEGG_COMPOUND] synonym: "S-Substituted L-cysteine" EXACT [KEGG_COMPOUND] synonym: "S-substituted L-cysteines" RELATED [ChEBI] xref: KEGG:C05726 is_a: CHEBI:26834 ! sulfur-containing amino acid is_a: CHEBI:83824 ! L-cysteine derivative relationship: is_tautomer_of CHEBI:58717 ! S-substituted L-cysteine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CS[*])C(O)=O" xsd:string [Term] id: CHEBI:47916 name: flavonoid namespace: chebi_ontology alt_id: CHEBI:13638 alt_id: CHEBI:24044 alt_id: CHEBI:5077 def: "Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "2-aryl-1-benzopyran" RELATED [] synonym: "2-aryl-1-benzopyrans" RELATED [] synonym: "Flavonoid" EXACT [] synonym: "flavonoids" RELATED [] xref: KEGG:C01579 xref: Wikipedia:Flavonoid is_a: CHEBI:72544 ! flavonoids property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:4792 name: enflurane namespace: chebi_ontology def: "An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups." [] subset: 3_STAR synonym: "2-chloro-1,1,2-trifluoroethyl difluoromethyl ether" RELATED [ChEBI] synonym: "2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane" EXACT IUPAC_NAME [IUPAC] synonym: "Alyrane" RELATED [NIST_Chemistry_WebBook] synonym: "Efrane" RELATED [ChemIDplus] synonym: "Enflurane" EXACT [KEGG_COMPOUND] synonym: "Ethrane" RELATED [ChemIDplus] synonym: "Methylflurether" RELATED [ChemIDplus] xref: Beilstein:1903921 {source="Beilstein"} xref: CAS:13838-16-9 {source="KEGG COMPOUND"} xref: CAS:13838-16-9 {source="ChemIDplus"} xref: CAS:13838-16-9 {source="NIST Chemistry WebBook"} xref: Drug_Central:1009 {source="DrugCentral"} xref: DrugBank:DB00228 xref: HMDB:HMDB0014373 xref: KEGG:C07516 xref: KEGG:D00543 xref: Patent:AU2014277860 xref: Patent:US5783199 xref: PMID:23934553 {source="Europe PMC"} xref: PMID:25386744 {source="Europe PMC"} xref: PMID:7457058 {source="Europe PMC"} xref: Reaxys:1903921 {source="Reaxys"} xref: Wikipedia:Enflurane is_a: CHEBI:25698 ! ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:39832 ! methoxyethane relationship: has_role CHEBI:38867 ! anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2ClF5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPGQOUSTVILISH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.49210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.97143" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)OC(F)(F)C(F)Cl" xsd:string [Term] id: CHEBI:47923 name: tripeptide namespace: chebi_ontology alt_id: CHEBI:27138 alt_id: CHEBI:9742 def: "Any oligopeptide that consists of three amino-acid residues connected by peptide linkages." [] subset: 3_STAR synonym: "Tripeptide" EXACT [KEGG_COMPOUND] synonym: "tripeptides" RELATED [ChEBI] xref: KEGG:C00316 xref: Wikipedia:Tripeptide is_a: CHEBI:25676 ! oligopeptide relationship: is_tautomer_of CHEBI:155837 ! tripeptide zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N3O4R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "186.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.05148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(NC(C(NC(C(=O)O)*)=O)*)C(N)*" xsd:string [Term] id: CHEBI:47956 name: thiocarboxamide namespace: chebi_ontology def: "Any primary amide having its amide oxygen replaced by sulfur." [] subset: 3_STAR synonym: "thioamide" RELATED [ChEBI] synonym: "thiocarboxamides" RELATED [ChEBI] synonym: "thionoamide" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide [Term] id: CHEBI:47958 name: nicotinic acetylcholine receptor agonist namespace: chebi_ontology alt_id: CHEBI:82738 def: "An agonist that selectively binds to and activates a nicotinic acetylcholine receptor." [] subset: 3_STAR synonym: "muscarinic agonists" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor agonists" RELATED [ChEBI] synonym: "nicotinic agonist" RELATED [ChEBI] synonym: "nicotinic agonists" RELATED [ChEBI] xref: Wikipedia:Nicotinic_acetylcholine_receptor is_a: CHEBI:38324 ! cholinergic agonist [Term] id: CHEBI:47985 name: enol ether namespace: chebi_ontology def: "Ethers ROR' where R has a double bond adjacent to the oxygen of the ether linkage." [] subset: 3_STAR synonym: "enol ether" EXACT [ChEBI] synonym: "enol ethers" RELATED [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2OR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.02080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=C(\\[*])O[*]" xsd:string [Term] id: CHEBI:47989 name: enamine namespace: chebi_ontology def: "An amine RNR'R'' where R has a double bond adjacent to the amine nitrogen." [] subset: 3_STAR synonym: "enamines" RELATED [ChEBI] is_a: CHEBI:32952 ! amine is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2NR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "38.02810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=C(\\[*])N([*])[*]" xsd:string [Term] id: CHEBI:48001 name: protein synthesis inhibitor namespace: chebi_ontology def: "A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein." [] subset: 3_STAR synonym: "protein synthesis antagonist" RELATED [ChEBI] synonym: "protein synthesis antagonists" RELATED [ChEBI] synonym: "protein synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:48041 name: microcystin namespace: chebi_ontology def: "A family of cyclic heptapeptide hepatotoxins produced by a number of cyanobacteria, the most notable of which is Microcystis, from which the name of the family is derived. Microcystins consist of a heptapeptide macrocycle made up of five non-protein amino acids and two protein amino acids." [] subset: 3_STAR synonym: "microcystins" RELATED [ChEBI] xref: MetaCyc:Microcystins xref: Wikipedia:Microcystin is_a: CHEBI:24533 ! heterodetic cyclic peptide relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:88048 ! cyanotoxin [Term] id: CHEBI:48080 name: brefeldin A namespace: chebi_ontology def: "A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity." [] subset: 3_STAR synonym: "(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "ascotoxin" RELATED [ChemIDplus] synonym: "Brefeldin A" EXACT [ChemIDplus] synonym: "cyanein" RELATED [ChemIDplus] synonym: "decumbin" RELATED [ChemIDplus] xref: Beilstein:25191 {source="Beilstein"} xref: Beilstein:5282047 {source="Beilstein"} xref: CAS:20350-15-6 {source="ChemIDplus"} is_a: CHEBI:25105 ! macrolide antibiotic relationship: has_role CHEBI:76964 ! Penicillium metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H24O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KQNZDYYTLMIZCT-KQPMLPITSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.35936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.16746" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@H](O)C[C@@]1([H])[C@H](O)\\C=C\\C(=O)O[C@@H](C)CCC\\C=C\\2" xsd:string [Term] id: CHEBI:48081 name: bacteriocin namespace: chebi_ontology def: "Polypeptides synthesized by specific strains of bacteria that are lethal against other strains of the same or related species." [] subset: 3_STAR synonym: "bacteriocin" EXACT [ChEBI] synonym: "bacteriocins" RELATED [ChEBI] xref: CAS:11047-01-1 {source="ChemIDplus"} is_a: CHEBI:25903 ! peptide antibiotic [Term] id: CHEBI:48107 name: nitric acid namespace: chebi_ontology alt_id: CHEBI:25545 alt_id: CHEBI:7580 def: "A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms." [] subset: 3_STAR synonym: "[NO2(OH)]" RELATED [IUPAC] synonym: "acide azotique" RELATED [ChEBI] synonym: "acide nitrique" RELATED [ChemIDplus] synonym: "azotic acid" RELATED [ChemIDplus] synonym: "HNO3" RELATED [IUPAC] synonym: "HONO2" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen nitrate" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen trioxonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxidodioxidonitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "Nitric acid" EXACT [KEGG_COMPOUND] synonym: "Salpetersaeure" RELATED [ChemIDplus] synonym: "trioxonitric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7697-37-2 {source="ChemIDplus"} xref: CAS:7697-37-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1576 {source="Gmelin"} xref: KEGG:C00244 xref: KEGG:D02313 xref: MetaCyc:CPD-15028 xref: PMID:22285512 {source="Europe PMC"} xref: PMID:23402861 {source="Europe PMC"} xref: Reaxys:3587310 {source="Reaxys"} xref: Wikipedia:Nitric_acid is_a: CHEBI:33455 ! nitrogen oxoacid relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:48356 ! protic solvent relationship: is_conjugate_acid_of CHEBI:17632 ! nitrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRYLNZFGIOXLOG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.01280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.99564" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[N+]([O-])=O" xsd:string [Term] id: CHEBI:48109 name: nitrobenzenes namespace: chebi_ontology def: "A C-nitro compound with formula C6H(6-n)(NO2)n (n can be from 1 up to 6, but is usually 1, 2 or 3). A closed class." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:4811 name: epoxiconazole namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms." [] subset: 3_STAR synonym: "(2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole" RELATED [Alan_Wood's_Pesticides] synonym: "rac-1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] synonym: "rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole" RELATED [Alan_Wood's_Pesticides] xref: CAS:133855-98-8 {source="KEGG COMPOUND"} xref: CAS:133855-98-8 {source="ChemIDplus"} xref: KEGG:C11229 xref: Pesticides:epoxiconazole {source="Alan Wood's Pesticides"} xref: PMID:24274332 {source="Europe PMC"} xref: PMID:24364671 {source="Europe PMC"} xref: PMID:24550150 {source="Europe PMC"} xref: Reaxys:8150613 {source="Reaxys"} xref: Wikipedia:Epoxiconazole is_a: CHEBI:60911 ! racemate is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_part CHEBI:83759 ! (2S,3R)-epoxiconazole relationship: has_part CHEBI:83761 ! (2R,3S)-epoxiconazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClFN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.75600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.07312" xsd:string [Term] id: CHEBI:48110 name: trinitrobenzene namespace: chebi_ontology subset: 3_STAR synonym: "trinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "Trinitrobenzol" RELATED [ChEBI] is_a: CHEBI:48109 ! nitrobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3N3O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.00218" xsd:string [Term] id: CHEBI:48113 name: 1,3,5-trinitrobenzene namespace: chebi_ontology def: "A trinitrobenzene in which each of the nitro groups is meta- to the other two." [] subset: 3_STAR synonym: "1,3,5-trinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,5-Trinitrobenzol" RELATED [ChEBI] synonym: "s-trinitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "sym-trinitrobenzene" RELATED [ChemIDplus] synonym: "TNB" RELATED [ChemIDplus] xref: Beilstein:1252144 {source="Beilstein"} xref: CAS:99-35-4 {source="ChemIDplus"} xref: CAS:99-35-4 {source="NIST Chemistry WebBook"} xref: Gmelin:27979 {source="Gmelin"} xref: Reaxys:1252144 {source="Reaxys"} xref: Wikipedia:1\,3\,5-Trinitrobenzene is_a: CHEBI:48110 ! trinitrobenzene relationship: has_role CHEBI:63490 ! explosive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3N3O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UATJOMSPNYCXIX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.10450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.00218" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:48117 name: 1-glycosylimidazole namespace: chebi_ontology subset: 3_STAR synonym: "1-glycosylimidazoles" RELATED [ChEBI] is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:24780 ! imidazoles [Term] id: CHEBI:48120 name: anthracycline namespace: chebi_ontology def: "Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine." [] subset: 3_STAR synonym: "anthracycline" EXACT [ChEBI] synonym: "anthracyclines" RELATED [ChEBI] is_a: CHEBI:26188 ! polyketide relationship: has_role CHEBI:25212 ! metabolite relationship: is_conjugate_base_of CHEBI:64678 ! anthracycline cation [Term] id: CHEBI:48123 name: silicate ion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37191 ! silicon oxoanion [Term] id: CHEBI:4814 name: eprosartan namespace: chebi_ontology def: "A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure." [] subset: 3_STAR synonym: "(E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid" RELATED [ChemIDplus] synonym: "(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid" RELATED [Patent] synonym: "(E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid" RELATED [IUPHAR] synonym: "4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Eprosartan" EXACT [KEGG_COMPOUND] synonym: "eprosartan" RELATED INN [ChemIDplus] xref: Beilstein:4338002 {source="Beilstein"} xref: CAS:133040-01-4 {source="ChemIDplus"} xref: CAS:133040-01-4 {source="KEGG COMPOUND"} xref: Drug_Central:1037 {source="DrugCentral"} xref: DrugBank:DB00876 xref: KEGG:C07467 xref: KEGG:D04040 xref: Patent:EP403159 xref: Patent:US5185351 xref: Reaxys:4338002 {source="Reaxys"} xref: Wikipedia:Eprosartan is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:26961 ! thiophenes is_a: CHEBI:35692 ! dicarboxylic acid relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H24N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OROAFUQRIXKEMV-LDADJPATSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "424.51300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "424.14568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCc1ncc(\\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O" xsd:string [Term] id: CHEBI:48154 name: sulfur oxide namespace: chebi_ontology subset: 3_STAR synonym: "oxides of sulfur" RELATED [ChEBI] synonym: "Schwefeloxide" RELATED [ChEBI] synonym: "sulfur oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:26835 ! sulfur molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:48199 name: sulfamate ester is_a: CHEBI:35701 ! ester property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:48210 name: cyclopentafurofurochromene namespace: chebi_ontology subset: 3_STAR synonym: "cyclopentafurofurochromenes" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38164 ! organic heteropentacyclic compound [Term] id: CHEBI:48218 name: antiseptic drug namespace: chebi_ontology def: "A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body)." [] subset: 3_STAR synonym: "antiseptic" RELATED [ChEBI] synonym: "antiseptic agent" RELATED [ChEBI] synonym: "antiseptic agents" RELATED [ChEBI] synonym: "antiseptics" RELATED [ChEBI] synonym: "local antiinfective agents" RELATED [ChEBI] synonym: "local microbicides" RELATED [ChEBI] synonym: "topical antiinfective agents" RELATED [ChEBI] synonym: "topical microbicides" RELATED [ChEBI] xref: Wikipedia:Antiseptic is_a: CHEBI:35441 ! antiinfective agent [Term] id: CHEBI:48219 name: disinfectant namespace: chebi_ontology def: "An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity." [] subset: 3_STAR synonym: "desinfectant" RELATED [ChEBI] synonym: "Desinfektionsmittel" RELATED [ChEBI] synonym: "disinfectants" RELATED [ChEBI] synonym: "disinfecting agent" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:48232 name: calcium oxides is_a: CHEBI:22985 ! calcium molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:48235 name: chromium oxide namespace: chebi_ontology subset: 3_STAR synonym: "chromium oxides" RELATED [ChEBI] synonym: "Chromoxide" RELATED [ChEBI] synonym: "oxides of chromium" RELATED [ChEBI] is_a: CHEBI:35403 ! chromium coordination entity [Term] id: CHEBI:48236 name: trichlorofluoromethane namespace: chebi_ontology def: "A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom." [] subset: 3_STAR synonym: "CFC-11" RELATED [ChemIDplus] synonym: "Eskimon 11" RELATED [ChemIDplus] synonym: "fluorochloroform" RELATED [ChemIDplus] synonym: "fluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] synonym: "Freon 11" RELATED [ChemIDplus] synonym: "monofluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] synonym: "R-11" RELATED [ChemIDplus] synonym: "Refrigerant 11" RELATED [ChemIDplus] synonym: "trichloro(fluoro)methane" EXACT IUPAC_NAME [IUPAC] synonym: "trichlorofluorocarbon" RELATED [ChemIDplus] synonym: "trichlorofluoromethane" EXACT [ChemIDplus] synonym: "trichloromonofluoromethane" RELATED [ChemIDplus] xref: Beilstein:1732469 {source="ChemIDplus"} xref: CAS:75-69-4 {source="ChemIDplus"} xref: CAS:75-69-4 {source="NIST Chemistry WebBook"} xref: PMID:1114326 {source="Europe PMC"} xref: PMID:24189105 {source="Europe PMC"} xref: PMID:5727092 {source="Europe PMC"} xref: PMID:8006631 {source="Europe PMC"} xref: Reaxys:1732469 {source="Reaxys"} xref: Wikipedia:Trichlorofluoromethane is_a: CHEBI:134024 ! chlorofluorocarbon is_a: CHEBI:39279 ! halomethane relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl3F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl3F/c2-1(3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.36720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.90496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:48242 name: dichromium trioxide namespace: chebi_ontology subset: 3_STAR synonym: "Chrom(III)-oxid" RELATED [ChEBI] synonym: "chromia" RELATED [ChemIDplus] synonym: "chromium sesquioxide" RELATED [ChemIDplus] synonym: "chromium(3+) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "chromium(III) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "chromium(III) sesquioxide" RELATED [ChemIDplus] synonym: "dichromium trioxide" EXACT IUPAC_NAME [IUPAC] synonym: "green chromium oxide" RELATED [ChemIDplus] synonym: "green oxide of chromium" RELATED [ChemIDplus] xref: CAS:1308-38-9 {source="ChemIDplus"} xref: CAS:1308-38-9 {source="NIST Chemistry WebBook"} xref: Gmelin:11116 {source="Gmelin"} is_a: CHEBI:48235 ! chromium oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cr2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Cr.3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QDOXWKRWXJOMAK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.99040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.86576" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Cr]O[Cr]=O" xsd:string [Term] id: CHEBI:48277 name: triazolopyrazine namespace: chebi_ontology subset: 3_STAR synonym: "triazolopyrazines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:48278 name: serotonergic drug namespace: chebi_ontology subset: 3_STAR synonym: "serotonergic agents" RELATED [ChEBI] synonym: "serotonergic drugs" RELATED [ChEBI] synonym: "serotonin drugs" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:48279 name: serotonergic antagonist namespace: chebi_ontology def: "Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists." [] subset: 3_STAR synonym: "5-HT antagonists" RELATED [ChEBI] synonym: "5-hydroxytryptamine antagonists" RELATED [ChEBI] synonym: "antiserotonergic agents" RELATED [ChEBI] synonym: "serotonin antagonists" RELATED [ChEBI] synonym: "serotonin blockaders" RELATED [ChEBI] is_a: CHEBI:48278 ! serotonergic drug [Term] id: CHEBI:48311 name: diclofenac(1-) namespace: chebi_ontology def: "The conjugate base of diclofenac." [] subset: 3_STAR synonym: "{2-[(2,6-dichlorophenyl)amino]phenyl}acetate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3560933 {source="Beilstein"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:47381 ! diclofenac property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H10Cl2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCOPUUMXTXDBNB-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "295.14014" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "294.00941" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl" xsd:string [Term] id: CHEBI:48318 name: fragrance namespace: chebi_ontology def: "A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell." [] subset: 3_STAR synonym: "aroma" RELATED [ChEBI] synonym: "arome" RELATED [ChEBI] synonym: "essence" RELATED [ChEBI] synonym: "Parfuem" RELATED [ChEBI] synonym: "parfum" RELATED [ChEBI] synonym: "perfume" RELATED [ChEBI] synonym: "scent" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:48341 name: dimethoxymethane namespace: chebi_ontology def: "An acetal that is the dimethyl acetal derivative of formaldehyde." [] subset: 3_STAR synonym: "2,4-dioxapentane" RELATED [ChemIDplus] synonym: "anesthenyl" RELATED [ChemIDplus] synonym: "bis(methoxy)methane" RELATED [ChemIDplus] synonym: "bis(methyloxy)methane" RELATED [ChEBI] synonym: "dimethoxymethane" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyl formal" RELATED [ChemIDplus] synonym: "formal" RELATED [ChemIDplus] synonym: "formaldehyde dimethyl acetal" RELATED [ChemIDplus] synonym: "methoxymethyl methyl ether" RELATED [ChemIDplus] synonym: "methylal" RELATED [ChemIDplus] synonym: "methylene dimethyl ether" RELATED [ChemIDplus] synonym: "methylene glycol dimethylether" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1697025 {source="Beilstein"} xref: CAS:109-87-5 {source="ChemIDplus"} xref: CAS:109-87-5 {source="NIST Chemistry WebBook"} xref: Gmelin:100776 {source="Gmelin"} xref: Patent:US2663742 xref: Patent:US2691684 xref: PMID:21766121 {source="Europe PMC"} xref: PMID:24000449 {source="Europe PMC"} xref: PMID:24148961 {source="Europe PMC"} xref: Reaxys:1697025 {source="Reaxys"} xref: Wikipedia:Dimethoxymethane is_a: CHEBI:46786 ! diether is_a: CHEBI:59769 ! acetal relationship: has_functional_parent CHEBI:48397 ! methanediol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NKDDWNXOKDWJAK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.09442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCOC" xsd:string [Term] id: CHEBI:48343 name: disulfide namespace: chebi_ontology def: "Compounds of structure RSSR'." [] subset: 3_STAR synonym: "disulfides" RELATED [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:48347 name: triclocarban namespace: chebi_ontology def: "A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively." [] subset: 3_STAR synonym: "1-(3',4'-dichlorophenyl)-3-(4'-chlorophenyl)urea" RELATED [NIST_Chemistry_WebBook] synonym: "1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea" EXACT IUPAC_NAME [IUPAC] synonym: "3,4,4'-trichloro carbanilide" RELATED [NIST_Chemistry_WebBook] synonym: "3,4,4'-trichlorocarbanilide" RELATED [ChemIDplus] synonym: "3,4,4'-trichlorodiphenylurea" RELATED [ChemIDplus] synonym: "Cutisan" RELATED BRAND_NAME [ChemIDplus] synonym: "N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea" RELATED [ChemIDplus] synonym: "Nobacter" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Solubacter" RELATED BRAND_NAME [ChemIDplus] synonym: "TCC" RELATED [ChemIDplus] synonym: "triclocarban" RELATED INN [ChemIDplus] synonym: "triclocarbanum" RELATED INN [ChemIDplus] xref: Beilstein:2814890 {source="ChemIDplus"} xref: CAS:101-20-2 {source="ChemIDplus"} xref: CAS:101-20-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:3630 {source="DrugCentral"} xref: DrugBank:DB11155 xref: KEGG:D06223 xref: Patent:GB769273 xref: Patent:US2818390 xref: PMID:18048496 {source="Europe PMC"} xref: PMID:24461429 {source="Europe PMC"} xref: PMID:24464075 {source="Europe PMC"} xref: PMID:24562054 {source="Europe PMC"} xref: PMID:30033524 {source="Europe PMC"} xref: Reaxys:2814890 {source="Reaxys"} xref: Wikipedia:Triclocarban is_a: CHEBI:134043 ! phenylureas is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:41320 ! 1,3-diphenylurea relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H9Cl3N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ICUTUKXCWQYESQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "315.58200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "313.97805" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1" xsd:string [Term] id: CHEBI:48353 name: serine proteinase inhibitor namespace: chebi_ontology def: "An exogenous or endogenous compound which inhibits serine endopeptidases." [] subset: 3_STAR synonym: "serine proteinase inhibitors" RELATED [ChEBI] is_a: CHEBI:37670 ! protease inhibitor is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor [Term] id: CHEBI:48354 name: polar solvent namespace: chebi_ontology def: "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds." [] subset: 3_STAR synonym: "polar solvent" EXACT IUPAC_NAME [IUPAC] synonym: "polar solvents" RELATED [ChEBI] is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48355 name: non-polar solvent namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48356 name: protic solvent namespace: chebi_ontology def: "A polar solvent that is capable of acting as a hydron (proton) donor." [] subset: 3_STAR synonym: "protogenic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39141 ! Bronsted acid is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48357 name: aprotic solvent namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:46787 ! solvent [Term] id: CHEBI:48358 name: polar aprotic solvent namespace: chebi_ontology def: "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds." [] subset: 3_STAR synonym: "dipolar aprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48354 ! polar solvent is_a: CHEBI:48357 ! aprotic solvent [Term] id: CHEBI:48359 name: protophilic solvent namespace: chebi_ontology def: "Solvent that is capable of acting as a hydron (proton) acceptor." [] subset: 1_STAR subset: 3_STAR synonym: "HBA solvent" RELATED [ChEBI] synonym: "hydrogen bond acceptor solvent" RELATED [ChEBI] synonym: "protophilic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39142 ! Bronsted base is_a: CHEBI:48354 ! polar solvent [Term] id: CHEBI:48360 name: amphiprotic solvent namespace: chebi_ontology def: "Self-ionizing solvent possessing both characteristics of Bronsted acids and bases." [] subset: 1_STAR subset: 3_STAR synonym: "amphiprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48356 ! protic solvent is_a: CHEBI:48359 ! protophilic solvent [Term] id: CHEBI:48376 name: carbamimidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carbamimic acid" RELATED [ChemIDplus] synonym: "carbamimidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carbonamidimidic acid" RELATED [IUPAC] synonym: "H2N-C(=NH)-OH" RELATED [IUPAC] synonym: "H2N-C(OH)=NH" RELATED [IUPAC] synonym: "HO-C(=NH)-NH2" RELATED [IUPAC] synonym: "Isoharnstoff" RELATED [ChEBI] synonym: "isourea" RELATED [ChemIDplus] synonym: "pseudourea" RELATED [ChemIDplus] xref: Beilstein:773698 {source="Beilstein"} xref: CAS:4744-36-9 {source="ChemIDplus"} is_a: CHEBI:48379 ! isourea is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:16199 ! urea property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=N" xsd:string [Term] id: CHEBI:48377 name: imidic acid namespace: chebi_ontology def: "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH)." [] subset: 3_STAR synonym: "imidic acid" EXACT [ChEBI] synonym: "imidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "imidic acids" RELATED [ChEBI] synonym: "imino acids" RELATED [IUPAC] is_a: CHEBI:33241 ! oxoacid derivative is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:48378 name: carboximidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carboximidic acid" EXACT [ChEBI] synonym: "carboximidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "carboximidic acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:48377 ! imidic acid [Term] id: CHEBI:48379 name: isourea namespace: chebi_ontology def: "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives." [] subset: 3_STAR synonym: "isoureas" EXACT IUPAC_NAME [IUPAC] synonym: "isoureas" RELATED [ChEBI] is_a: CHEBI:48378 ! carboximidic acid [Term] id: CHEBI:48397 name: methanediol namespace: chebi_ontology def: "The simplest member of the class of methanediols that is methane in which two of the hydrogens have been substituted by hydroxy groups." [] subset: 3_STAR synonym: "dihydroxymethane" RELATED [ChEBI] synonym: "formaldehyde hydrate" RELATED [ChEBI] synonym: "Methandiol" RELATED [ChEBI] synonym: "methanediol" EXACT IUPAC_NAME [IUPAC] synonym: "Methylene glycol" RELATED [ChemIDplus] xref: Beilstein:1730798 {source="Beilstein"} xref: CAS:463-57-0 {source="ChemIDplus"} xref: CAS:463-57-0 {source="NIST Chemistry WebBook"} xref: Reaxys:1730798 {source="Reaxys"} xref: Wikipedia:Methanediol is_a: CHEBI:25222 ! methanediols is_a: CHEBI:63733 ! aldehyde hydrate is_a: CHEBI:64708 ! one-carbon compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O2/c2-1-3/h2-3H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CKFGINPQOCXMAZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "48.04126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "48.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCO" xsd:string [Term] id: CHEBI:48407 name: antiparkinson drug namespace: chebi_ontology def: "A drug used in the treatment of Parkinson's disease." [] subset: 3_STAR synonym: "antiparkinson agent" RELATED [ChEBI] xref: Wikipedia:Antiparkinson is_a: CHEBI:66956 ! antidyskinesia agent [Term] id: CHEBI:48420 name: biphenylyltetrazole namespace: chebi_ontology def: "A member of the class of biphenyls that consists of a biphenyl ring system substituted by a tetrazole ring at an unspecified position." [] subset: 3_STAR synonym: "biphenylyltetrazoles" RELATED [ChEBI] is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:35689 ! tetrazoles [Term] id: CHEBI:48422 name: angiogenesis inhibitor namespace: chebi_ontology alt_id: CHEBI:67170 def: "An agent and endogenous substances that antagonize or inhibit the development of new blood vessels." [] subset: 3_STAR synonym: "angiogenesis antagonist" RELATED [ChEBI] synonym: "angiostatic agents" RELATED [ChEBI] synonym: "anti-angiogenic agent" RELATED [ChEBI] xref: Wikipedia:Angiogenesis_inhibitor is_a: CHEBI:23888 ! drug [Term] id: CHEBI:48425 name: topical anaesthetic namespace: chebi_ontology def: "A local anesthetic that is used to numb the surface of a body part." [] subset: 3_STAR synonym: "topical anaesthetics" RELATED [ChEBI] synonym: "topical anesthetic" RELATED [ChEBI] is_a: CHEBI:36333 ! local anaesthetic [Term] id: CHEBI:48430 name: 4-methyl-2-oxopentanoic acid namespace: chebi_ontology alt_id: CHEBI:1891 alt_id: CHEBI:41619 def: "A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease." [] subset: 3_STAR synonym: "2-OXO-4-METHYLPENTANOIC ACID" RELATED [PDBeChem] synonym: "2-Oxoisocaproate" RELATED [KEGG_COMPOUND] synonym: "4-Methyl-2-oxopentanoate" RELATED [KEGG_COMPOUND] synonym: "4-methyl-2-oxopentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-methyl-2-oxovaleric acid" RELATED [ChemIDplus] synonym: "alpha-ketoisocaproic acid" RELATED [ChemIDplus] synonym: "Ketoleucine" RELATED [HMDB] xref: CAS:816-66-0 {source="KEGG COMPOUND"} xref: CAS:816-66-0 {source="ChemIDplus"} xref: DrugBank:DB03229 xref: HMDB:HMDB0000695 xref: KEGG:C00233 xref: KNApSAcK:C00019677 xref: MetaCyc:2K-4CH3-PENTANOATE xref: PDBeChem:COI xref: PMID:14636955 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:1701823 {source="Reaxys"} is_a: CHEBI:191197 ! branched-chain keto acid is_a: CHEBI:35910 ! 2-oxo monocarboxylic acid relationship: has_functional_parent CHEBI:17418 ! valeric acid relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:17865 ! 4-methyl-2-oxopentanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKAJNAXTPSGJCU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.14180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(=O)C(O)=O" xsd:string [Term] id: CHEBI:48431 name: formimidic acid namespace: chebi_ontology def: "A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group." [] subset: 3_STAR synonym: "imidoformic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1918433 {source="Beilstein"} xref: PMID:16331898 {source="Europe PMC"} xref: Reaxys:1918433 {source="Reaxys"} is_a: CHEBI:48378 ! carboximidic acid is_a: CHEBI:64708 ! one-carbon compound relationship: has_functional_parent CHEBI:30751 ! formic acid relationship: is_tautomer_of CHEBI:16397 ! formamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZHNUHDYFZUAESO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.04066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.02146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(O)=N" xsd:string [Term] id: CHEBI:48432 name: angiotensin II namespace: chebi_ontology subset: 3_STAR synonym: "1-8-angiotensin I" RELATED [ChemIDplus] synonym: "ang II" RELATED [IUPHAR] synonym: "angiotensina II" RELATED INN [ChemIDplus] synonym: "angiotensinum II" RELATED INN [ChemIDplus] xref: CAS:11128-99-7 {source="ChemIDplus"} is_a: CHEBI:48433 ! angiotensin relationship: has_role CHEBI:50514 ! vasoconstrictor agent [Term] id: CHEBI:48433 name: angiotensin namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25905 ! peptide hormone [Term] id: CHEBI:48436 name: thiophenecarboxylic acid namespace: chebi_ontology subset: 3_STAR synonym: "thiophenecarboxylic acids" RELATED [ChEBI] is_a: CHEBI:26961 ! thiophenes is_a: CHEBI:33575 ! carboxylic acid [Term] id: CHEBI:48437 name: cyclopentapyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "cyclopentapyrimidines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:48471 name: sulfamoylbenzoate namespace: chebi_ontology subset: 3_STAR synonym: "sulfamoylbenzoates" RELATED [ChEBI] is_a: CHEBI:22718 ! benzoates is_a: CHEBI:35358 ! sulfonamide [Term] id: CHEBI:48498 name: thiophenol namespace: chebi_ontology def: "A thiol in which the sulfanyl group is attached to a phenyl group." [] subset: 3_STAR synonym: "benzenethiol" EXACT IUPAC_NAME [IUPAC] synonym: "mercaptobenzene" RELATED [ChemIDplus] synonym: "phenyl mercaptan" RELATED [ChemIDplus] synonym: "Phenylthiol" RELATED [ChemIDplus] xref: Beilstein:506523 {source="Beilstein"} xref: CAS:108-98-5 {source="ChemIDplus"} xref: HMDB:HMDB0033746 xref: MetaCyc:CPD-8132 xref: PMID:23902004 {source="Europe PMC"} xref: PMID:23961762 {source="Europe PMC"} xref: Reaxys:506523 {source="Reaxys"} xref: Wikipedia:Thiophenol is_a: CHEBI:82711 ! aryl thiol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMVRSNDYEFQCLF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.178" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.01902" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C(=CC=CC1)S" xsd:string [Term] id: CHEBI:48535 name: aryloxypyrimidine namespace: chebi_ontology subset: 3_STAR synonym: "aryloxypyrimidines" RELATED [ChEBI] is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:39447 ! pyrimidines [Term] id: CHEBI:48539 name: alpha-adrenergic drug namespace: chebi_ontology def: "Any drug that acts on an alpha-adrenergic receptor." [] subset: 3_STAR synonym: "alpha-adrenergic drugs" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:48540 name: beta-adrenergic drug namespace: chebi_ontology def: "Any of the drugs that act on beta-adrenergic receptors." [] subset: 3_STAR synonym: "beta-adrenergic drugs" RELATED [ChEBI] is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:48544 name: methanesulfonates namespace: chebi_ontology def: "Esters or salts of methanesulfonic acid." [] subset: 3_STAR is_a: CHEBI:33261 ! organosulfur compound relationship: has_functional_parent CHEBI:27376 ! methanesulfonic acid [Term] id: CHEBI:48550 name: EC 1.1.1.21 (aldehyde reductase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21)." [] subset: 3_STAR synonym: "aldehyde reductase (EC 1.1.1.21) inhibitor" RELATED [ChEBI] synonym: "aldehyde reductase (EC 1.1.1.21) inhibitors" RELATED [ChEBI] synonym: "aldehyde reductase inhibitor" RELATED [ChEBI] synonym: "aldehyde reductase inhibitors" RELATED [ChEBI] synonym: "alditol:NAD(P)(+) 1-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "alditol:NAD(P)(+) 1-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "alditol:NADP oxidoreductase inhibitor" RELATED [ChEBI] synonym: "alditol:NADP oxidoreductase inhibitors" RELATED [ChEBI] synonym: "alditol:NADP(+) 1-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "alditol:NADP(+) 1-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "aldose reductase inhibitor" RELATED [ChEBI] synonym: "aldose reductase inhibitors" RELATED [ChEBI] synonym: "ALR2 inhibitor" RELATED [ChEBI] synonym: "ALR2 inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.21 (aldehyde reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.21 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.21 inhibitors" RELATED [ChEBI] synonym: "NADPH-aldopentose reductase inhibitor" RELATED [ChEBI] synonym: "NADPH-aldopentose reductase inhibitors" RELATED [ChEBI] synonym: "NADPH-aldose reductase inhibitor" RELATED [ChEBI] synonym: "NADPH-aldose reductase inhibitors" RELATED [ChEBI] synonym: "polyol dehydrogenase (NADP(+)) inhibitor" RELATED [ChEBI] synonym: "polyol dehydrogenase (NADP(+)) inhibitors" RELATED [ChEBI] is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:48551 name: guanidino group namespace: chebi_ontology alt_id: CHEBI:30091 alt_id: CHEBI:48091 subset: 3_STAR synonym: "-NH-C(=NH)-NH2" RELATED [ChEBI] synonym: "carbamimidamido" EXACT IUPAC_NAME [IUPAC] synonym: "carbamimidamido group" RELATED [ChEBI] synonym: "carbamimidoylamino" RELATED [IUPAC] synonym: "guanidino" RELATED [JCBN] synonym: "H2N-C(=NH)-NH-" RELATED [IUPAC] is_a: CHEBI:33456 ! organoheteryl group relationship: is_substituent_group_from CHEBI:42820 ! guanidine relationship: is_substituent_group_from CHEBI:616459 ! carbamimidoylazanium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.06268" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.04052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*NC(N)=N" xsd:string [Term] id: CHEBI:48560 name: dopaminergic agent namespace: chebi_ontology def: "A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons." [] subset: 3_STAR synonym: "dopamine agent" RELATED [ChEBI] synonym: "dopamine agents" RELATED [ChEBI] synonym: "dopamine drug" RELATED [ChEBI] synonym: "dopamine drugs" RELATED [ChEBI] synonym: "dopaminergic agents" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:48561 name: dopaminergic antagonist namespace: chebi_ontology def: "A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists." [] subset: 3_STAR synonym: "dopamine antagonist" RELATED [ChEBI] synonym: "dopamine blocker" RELATED [ChEBI] synonym: "dopamine receptor antagonist" RELATED [ChEBI] synonym: "dopaminergic antagonists" RELATED [ChEBI] is_a: CHEBI:48560 ! dopaminergic agent is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:48578 name: radical scavenger namespace: chebi_ontology def: "A role played by a substance that can react readily with, and thereby eliminate, radicals." [] subset: 3_STAR synonym: "free radical scavengers" RELATED [ChEBI] synonym: "free-radical scavenger" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant [Term] id: CHEBI:48585 name: heteroarylpiperidine namespace: chebi_ontology subset: 3_STAR synonym: "heteroarylpiperidines" RELATED [ChEBI] is_a: CHEBI:26151 ! piperidines [Term] id: CHEBI:48589 name: piperidones namespace: chebi_ontology subset: 3_STAR synonym: "piperidone" RELATED [ChEBI] is_a: CHEBI:26151 ! piperidines is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:48590 name: hydroxypiperidine namespace: chebi_ontology subset: 3_STAR synonym: "hydroxypiperidines" RELATED [ChEBI] is_a: CHEBI:26151 ! piperidines [Term] id: CHEBI:48607 name: lithium chloride namespace: chebi_ontology def: "A metal chloride salt with a Li(+) counterion." [] subset: 3_STAR synonym: "chlorure de lithium" RELATED [] synonym: "cloruro de litio" RELATED [] synonym: "LiCl" RELATED [] synonym: "lithii chloridum" RELATED [] synonym: "lithium chloride" EXACT [] synonym: "Lithiumchlorid" RELATED [] xref: CAS:7447-41-8 xref: PMID:21301855 xref: PMID:24398558 is_a: CHEBI:36093 ! inorganic chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClLi" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.39370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+].[Cl-]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:48626 name: pyranoindolizinoquinoline namespace: chebi_ontology subset: 3_STAR synonym: "pyranoindolizinoquinolines" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38164 ! organic heteropentacyclic compound [Term] id: CHEBI:48676 name: fibrin modulating drug namespace: chebi_ontology def: "A drug that affects the function of fibrin in blood coagulation." [] subset: 3_STAR synonym: "fibrin modulating agent" RELATED [ChEBI] synonym: "fibrin modulating agents" RELATED [ChEBI] synonym: "fibrin modulating drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:48684 name: benzothiazepine namespace: chebi_ontology subset: 3_STAR synonym: "benzothiazepines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:48705 name: agonist namespace: chebi_ontology def: "Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own." [] subset: 3_STAR synonym: "agonist" EXACT IUPAC_NAME [IUPAC] synonym: "agonista" RELATED [ChEBI] synonym: "agoniste" RELATED [ChEBI] synonym: "agonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48706 name: antagonist namespace: chebi_ontology def: "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances." [] subset: 3_STAR synonym: "antagonist" EXACT IUPAC_NAME [IUPAC] synonym: "antagonista" RELATED [ChEBI] synonym: "antagoniste" RELATED [ChEBI] synonym: "antagonists" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:48721 name: mononitroanisoles namespace: chebi_ontology alt_id: CHEBI:48971 def: "Any member of the class of nitroanisoles in which a single nitro group is attached to the anisole ring." [] subset: 3_STAR synonym: "substituted nitroanisole" RELATED [ChEBI] synonym: "substituted nitroanisoles" RELATED [ChEBI] is_a: CHEBI:48726 ! nitroanisoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.04259" xsd:string [Term] id: CHEBI:48722 name: 2-nitroanisole namespace: chebi_ontology def: "A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group." [] subset: 3_STAR synonym: "1-methoxy-2-nitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1-Nitro-2-methoxybenzene" RELATED [ChemIDplus] synonym: "o-methoxynitrobenzene" RELATED [ChEBI] synonym: "o-Nitroanisole" RELATED [ChemIDplus] synonym: "o-Nitroanisole" RELATED [KEGG_COMPOUND] synonym: "o-Nitrophenyl methyl ether" RELATED [ChemIDplus] xref: Beilstein:1868032 {source="Beilstein"} xref: CAS:91-23-6 {source="ChemIDplus"} xref: CAS:91-23-6 {source="KEGG COMPOUND"} xref: CAS:91-23-6 {source="NIST Chemistry WebBook"} xref: KEGG:C19270 xref: Patent:CN101643419 xref: PMID:16601807 {source="Europe PMC"} xref: PMID:21187827 {source="Europe PMC"} xref: PMID:21217841 {source="Europe PMC"} xref: PMID:21946300 {source="Europe PMC"} xref: Reaxys:1868032 {source="Reaxys"} is_a: CHEBI:48727 ! 2-nitroanisoles relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CFBYEGUGFPZCNF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.13542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:48726 name: nitroanisoles namespace: chebi_ontology def: "A monomethoxybenzene carrying one or more nitro substituents." [] subset: 3_STAR is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:35716 ! C-nitro compound relationship: has_functional_parent CHEBI:16579 ! anisole [Term] id: CHEBI:48727 name: 2-nitroanisoles namespace: chebi_ontology def: "Any member of the class of mononitroanisoles in which the nitro group is situated ortho to the methoxy group." [] subset: 3_STAR is_a: CHEBI:48721 ! mononitroanisoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H3NO3R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.104" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.01129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c([*])c([*])c([*])c([*])c1[N+]([O-])=O" xsd:string [Term] id: CHEBI:48730 name: aluminosilicate mineral is_a: CHEBI:46663 ! silicate mineral [Term] id: CHEBI:48765 name: dimethylarsinic acid namespace: chebi_ontology alt_id: CHEBI:29839 alt_id: CHEBI:48764 def: "The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups." [] subset: 3_STAR synonym: "[As(CH3)2O(OH)]" RELATED [ChEBI] synonym: "CACODYLIC ACID" RELATED [PDBeChem] synonym: "Dimethylarsinate" RELATED [KEGG_COMPOUND] synonym: "dimethylarsinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Kakodylsaeure" RELATED [ChEBI] synonym: "Me2As(=O)OH" RELATED [IUPAC] xref: Beilstein:1736965 {source="ChemIDplus"} xref: CAS:75-60-5 {source="NIST Chemistry WebBook"} xref: CAS:75-60-5 {source="ChemIDplus"} xref: CAS:75-60-5 {source="KEGG COMPOUND"} xref: Drug_Central:3058 {source="DrugCentral"} xref: Gmelin:130562 {source="Gmelin"} xref: KEGG:C07308 xref: PDBeChem:CAD xref: PMID:11379771 {source="Europe PMC"} xref: PMID:11549254 {source="Europe PMC"} xref: PMID:21342701 {source="Europe PMC"} xref: PMID:21457993 {source="Europe PMC"} xref: PMID:21608259 {source="Europe PMC"} xref: PPDB:2879 xref: Reaxys:1736965 {source="Reaxys"} xref: Wikipedia:Cacodylic_acid is_a: CHEBI:33406 ! organoarsenic compound relationship: has_functional_parent CHEBI:29840 ! arsinic acid relationship: has_role CHEBI:76206 ! xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:16223 ! dimethylarsinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7AsO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGGXGZAMXPVRFZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.99738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.96620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As](C)(O)=O" xsd:string [Term] id: CHEBI:4877 name: ethambutol namespace: chebi_ontology alt_id: CHEBI:133410 alt_id: CHEBI:659237 alt_id: CHEBI:678172 def: "An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone." [] subset: 3_STAR synonym: "(+)-2,2'-(ethylenediimino)di-1-butanol" RELATED [ChemIDplus] synonym: "(+)-ethambutol" RELATED [ChEBI] synonym: "(+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine" RELATED [ChemIDplus] synonym: "(+)-S,S-ethambutol" RELATED [ChemIDplus] synonym: "(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol" RELATED [ChEBI] synonym: "(S,S)-ethambutol" RELATED [ChEBI] synonym: "EMB" RELATED [ChEBI] synonym: "etambutol" RELATED INN [ChemIDplus] synonym: "Ethambutol" EXACT [KEGG_COMPOUND] synonym: "ethambutol" RELATED INN [ChemIDplus] synonym: "ethambutolum" RELATED INN [ChemIDplus] synonym: "S,S-Ethambutol" RELATED [ChEMBL] xref: Beilstein:6312870 {source="Beilstein"} xref: CAS:74-55-5 {source="ChemIDplus"} xref: CAS:74-55-5 {source="KEGG COMPOUND"} xref: Drug_Central:1073 {source="DrugCentral"} xref: DrugBank:DB00330 xref: KEGG:C06984 xref: KEGG:D07925 xref: PMID:10649975 {source="ChEMBL"} xref: PMID:10891117 {source="ChEMBL"} xref: PMID:10966749 {source="ChEMBL"} xref: PMID:12182855 {source="ChEMBL"} xref: PMID:14695841 {source="ChEMBL"} xref: PMID:14698152 {source="ChEMBL"} xref: PMID:15225698 {source="ChEMBL"} xref: PMID:16005211 {source="ChEMBL"} xref: PMID:16759086 {source="ChEMBL"} xref: PMID:16870429 {source="ChEMBL"} xref: PMID:17210775 {source="ChEMBL"} xref: PMID:17239593 {source="ChEMBL"} xref: PMID:17276683 {source="ChEMBL"} xref: PMID:17315960 {source="ChEMBL"} xref: PMID:17331717 {source="ChEMBL"} xref: PMID:17562368 {source="ChEMBL"} xref: PMID:17851083 {source="ChEMBL"} xref: PMID:17888665 {source="ChEMBL"} xref: PMID:19524332 {source="ChEMBL"} xref: PMID:19648006 {source="ChEMBL"} xref: PMID:3934384 {source="ChEMBL"} xref: Reaxys:6312870 {source="Reaxys"} xref: Wikipedia:Ethambutol is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:31577 ! ethylenediamine derivative relationship: has_role CHEBI:33231 ! antitubercular agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H24N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AEUTYOVWOVBAKS-UWVGGRQHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.30980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.18378" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@H](CO)NCCN[C@@H](CC)CO" xsd:string [Term] id: CHEBI:48819 name: cyano group namespace: chebi_ontology alt_id: CHEBI:36824 alt_id: CHEBI:48818 subset: 3_STAR synonym: "-C#N" RELATED [IUPAC] synonym: "-CN" RELATED [IUPAC] synonym: "carbonitrile group" RELATED [ChEBI] synonym: "CYANIDE GROUP" RELATED [PDBeChem] synonym: "cyanido" EXACT IUPAC_NAME [IUPAC] synonym: "cyano" EXACT IUPAC_NAME [IUPAC] synonym: "NC-" RELATED [IUPAC] xref: PDBeChem:CYN is_a: CHEBI:36823 ! pseudohalo group relationship: is_substituent_group_from CHEBI:18407 ! hydrogen cyanide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(#N)*" xsd:string [Term] id: CHEBI:48844 name: roxithromycin namespace: chebi_ontology def: "Semisynthetic derivative of erythromycin A." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin" RELATED [Patent] xref: Beilstein:6951235 {source="Beilstein"} xref: DrugBank:DB00778 xref: LINCS:LSM-20929 xref: Patent:FR2473525 xref: Patent:US4349545 is_a: CHEBI:48924 ! erythromycin derivative is_a: CHEBI:72588 ! semisynthetic derivative relationship: has_functional_parent CHEBI:42355 ! erythromycin A relationship: has_role CHEBI:36047 ! antibacterial drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C41H76N2O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RXZBMPWDPOLZGW-HITVVWEBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "837.04662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "836.52457" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:48847 name: heterocyclic fatty acid namespace: chebi_ontology def: "Any fatty acid containing a ring composed of atoms including at least one heteroatom." [] subset: 3_STAR synonym: "heterocyclic fatty acid" EXACT [ChEBI] synonym: "heterocyclic fatty acids" RELATED [ChEBI] is_a: CHEBI:5686 ! heterocyclic compound is_a: CHEBI:59238 ! cyclic fatty acid [Term] id: CHEBI:48848 name: erythronolide A namespace: chebi_ontology subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4,6,7,12,13-pentahydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Erythronolid A" RELATED [ChEBI] xref: Beilstein:4570921 {source="Beilstein"} xref: CAS:26754-37-0 {source="ChemIDplus"} is_a: CHEBI:23955 ! erythronolide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H38O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H38O8/c1-8-14-21(7,28)18(25)11(3)15(22)10(2)9-20(6,27)17(24)12(4)16(23)13(5)19(26)29-14/h10-14,16-18,23-25,27-28H,8-9H2,1-7H3/t10-,11+,12+,13-,14-,16+,17-,18-,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVTFLQUPRIIRFE-QUMKBVJLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "418.52162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "418.25667" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:48850 name: alkyloxynaphthalene namespace: chebi_ontology def: "Naphthalenes in which one or more alkyloxy groups are bonded to a naphthalene ring system." [] subset: 3_STAR synonym: "alkoxynaphthalenes" RELATED [ChEBI] synonym: "alkyloxynaphthalenes" RELATED [ChEBI] is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:35618 ! aromatic ether [Term] id: CHEBI:48851 name: methoxynaphthalene namespace: chebi_ontology def: "Any alkyloxynaphthalene bearing one or more methoxy substituents." [] subset: 3_STAR is_a: CHEBI:48850 ! alkyloxynaphthalene [Term] id: CHEBI:48853 name: dimethylnaphthalene namespace: chebi_ontology def: "Any member of the class of naphthalenes carrying two methyl groups at unspecified positions." [] subset: 3_STAR is_a: CHEBI:25477 ! naphthalenes relationship: has_parent_hydride CHEBI:16482 ! naphthalene [Term] id: CHEBI:48854 name: sulfurous acid namespace: chebi_ontology alt_id: CHEBI:26837 alt_id: CHEBI:9344 subset: 3_STAR synonym: "[SO(OH)2]" RELATED [IUPAC] synonym: "acide sulfureux" RELATED [ChEBI] synonym: "acido sulfuroso" RELATED [ChEBI] synonym: "dihydrogen trioxosulfate" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxidooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO3" RELATED [IUPAC] synonym: "S(O)(OH)2" RELATED [IUPAC] synonym: "schweflige Saeure" RELATED [ChemIDplus] synonym: "Sulfite" RELATED [KEGG_COMPOUND] synonym: "Sulfurous acid" EXACT [KEGG_COMPOUND] synonym: "sulfurous acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulphurous acid" RELATED [ChemIDplus] synonym: "trioxosulfuric acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:7782-99-2 {source="ChemIDplus"} xref: Gmelin:1458 {source="Gmelin"} xref: KEGG:C00094 xref: KNApSAcK:C00019662 xref: PDBeChem:SO3 xref: UM-BBD_compID:c0348 {source="UM-BBD"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:17137 ! hydrogensulfite relationship: is_tautomer_of CHEBI:29214 ! sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(O)=O" xsd:string [Term] id: CHEBI:48873 name: cholinergic antagonist namespace: chebi_ontology def: "Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists." [] subset: 3_STAR synonym: "acetylcholine antagonists" RELATED [ChEBI] synonym: "acetylcholine receptor antagonist" RELATED [IUPHAR] synonym: "agent anticholinergique" RELATED [ChEBI] synonym: "agente anticolinergico" RELATED [ChEBI] synonym: "agentes anticolinergicos" RELATED [ChEBI] synonym: "anticholinergic agents" RELATED [ChEBI] synonym: "anticholinergics" RELATED [ChEBI] synonym: "Anticholinergika" RELATED [ChEBI] synonym: "Anticholinergikum" RELATED [ChEBI] synonym: "anticholinergiques" RELATED [ChEBI] synonym: "anticolinergicos" RELATED [ChEBI] synonym: "cholinergic-blocking agents" RELATED [ChEBI] is_a: CHEBI:38323 ! cholinergic drug [Term] id: CHEBI:48876 name: muscarinic antagonist namespace: chebi_ontology def: "A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists." [] subset: 3_STAR synonym: "agente antimuscarinico" RELATED [ChEBI] synonym: "agentes antimuscarinicos" RELATED [ChEBI] synonym: "agents antimuscariniques" RELATED [ChEBI] synonym: "antimuscarinic agents" RELATED [ChEBI] synonym: "antimuscarinicos" RELATED [ChEBI] synonym: "Antimuskarinika" RELATED [ChEBI] synonym: "Antimuskarinikum" RELATED [ChEBI] synonym: "muscarinic acetylcholine receptor antagonist" RELATED [ChEBI] synonym: "muscarinic antagonists" RELATED [ChEBI] is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:48878 name: nicotinic antagonist namespace: chebi_ontology def: "An antagonist at the nicotinic cholinergic receptor." [] subset: 3_STAR synonym: "agente antinicotinico" RELATED [ChEBI] synonym: "agentes antinicotinicos" RELATED [ChEBI] synonym: "agents antinicotiniques" RELATED [ChEBI] synonym: "antinicotinicos" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor antagonist" RELATED [ChEBI] synonym: "nicotinic acetylcholine receptor antagonists" RELATED [ChEBI] synonym: "nicotinic antagonists" RELATED [ChEBI] synonym: "nicotinic cholinergic antagonist" RELATED [ChEBI] synonym: "nicotinic cholinergic antagonists" RELATED [ChEBI] xref: Wikipedia:Nicotinic_antagonist is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:48891 name: thiazolidinone namespace: chebi_ontology subset: 3_STAR synonym: "thiazolidinones" RELATED [ChEBI] is_a: CHEBI:35622 ! thiazolidines [Term] id: CHEBI:48898 name: oxadiazane namespace: chebi_ontology subset: 3_STAR synonym: "oxadiazanes" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle [Term] id: CHEBI:48901 name: thiazoles namespace: chebi_ontology def: "An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom." [] subset: 3_STAR synonym: "thiazole" RELATED [ChEBI] is_a: CHEBI:38106 ! organosulfur heterocyclic compound is_a: CHEBI:68452 ! azole property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:48902 name: 1,2-thiazoles namespace: chebi_ontology subset: 3_STAR synonym: "1,2-thiazole" RELATED [ChEBI] synonym: "isothiazoles" RELATED [ChEBI] is_a: CHEBI:48901 ! thiazoles [Term] id: CHEBI:48909 name: imidazothiazole namespace: chebi_ontology subset: 3_STAR synonym: "imidazothiazoles" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:48912 name: benzotriazoles namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:48923 name: erythromycin namespace: chebi_ontology def: "Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus)." [] subset: 3_STAR synonym: "eritromicina" RELATED [ChEBI] synonym: "erthromycin" RELATED [ChEBI] synonym: "erythromycine" RELATED [ChEBI] xref: DrugBank:DB00199 xref: HMDB:HMDB0014344 xref: Patent:US2653899 xref: Wikipedia:Erythromycin is_a: CHEBI:23953 ! erythromycins relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:64290 ! erythromycin cation [Term] id: CHEBI:48924 name: erythromycin derivative namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:23953 ! erythromycins [Term] id: CHEBI:48927 name: N-acyl-L-alpha-amino acid namespace: chebi_ontology alt_id: CHEBI:13240 alt_id: CHEBI:7232 def: "Any L-alpha-amino acid carrying an N-acyl substituent." [] subset: 3_STAR synonym: "N-Acyl-L-amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C02850 is_a: CHEBI:21644 ! N-acyl-L-amino acid relationship: has_functional_parent CHEBI:15705 ! L-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59874 ! N-acyl-L-alpha-amino acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.061" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string [Term] id: CHEBI:48935 name: (E)-roxithromycin namespace: chebi_ontology alt_id: CHEBI:45437 alt_id: CHEBI:48846 def: "A major geometrical isomer of roxithromycin." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "(9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime)" RELATED [ChemIDplus] synonym: "ROXITHROMYCIN" RELATED [PDBeChem] synonym: "roxithromycin" RELATED INN [ChemIDplus] synonym: "roxithromycine" RELATED INN [ChemIDplus] synonym: "roxithromycinum" RELATED INN [ChemIDplus] synonym: "roxitromicina" RELATED INN [ChemIDplus] xref: Beilstein:5900029 {source="Beilstein"} xref: CAS:80214-83-1 {source="ChemIDplus"} xref: Drug_Central:2410 {source="DrugCentral"} xref: HMDB:HMDB0014916 xref: PDBeChem:ROX xref: PMID:12575424 {source="Europe PMC"} xref: PMID:24462419 {source="Europe PMC"} xref: Reaxys:5900029 {source="Reaxys"} is_a: CHEBI:48844 ! roxithromycin relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C41H76N2O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RXZBMPWDPOLZGW-XMRMVWPWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "837.04662" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "836.52457" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\\C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:48942 name: isovalerate namespace: chebi_ontology def: "A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle." [] subset: 3_STAR synonym: "3-methyl-n-butyrate" RELATED [ChEBI] synonym: "3-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "3-methylbutyrate" RELATED [ChEBI] synonym: "beta-methylbutyrate" RELATED [ChEBI] synonym: "delphinate" RELATED [ChEBI] synonym: "isopentanoate" RELATED [ChEBI] synonym: "isopropylacetate" RELATED [ChEBI] synonym: "isovalerate" EXACT [UniProt] synonym: "isovalerianate" RELATED [ChEBI] xref: Beilstein:773692 {source="Beilstein"} xref: PMID:19138353 {source="Europe PMC"} is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion is_a: CHEBI:83972 ! 3-methyl fatty acid anion relationship: has_role CHEBI:75768 ! mammalian metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:28484 ! isovaleric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWYFCOCPABKNJV-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC([O-])=O" xsd:string [Term] id: CHEBI:48943 name: isobutyraldehyde namespace: chebi_ontology def: "A member of the class of propanals that is propanal substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "2-methylpropanal" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropanal" RELATED [UniProt] synonym: "2-methylpropionaldehyde" RELATED [ChemIDplus] synonym: "alpha-methylpropionaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "isobutanal" RELATED [ChemIDplus] synonym: "isobutylaldehyde" RELATED [ChemIDplus] synonym: "isobutyric aldehyde" RELATED [ChemIDplus] xref: Beilstein:605330 {source="Beilstein"} xref: CAS:78-84-2 {source="NIST Chemistry WebBook"} xref: CAS:78-84-2 {source="ChemIDplus"} xref: Gmelin:1658 {source="Gmelin"} xref: HMDB:HMDB0031243 xref: MetaCyc:CPD-7000 xref: Patent:WO2013192237 xref: PMID:22731523 {source="Europe PMC"} xref: PMID:22974724 {source="Europe PMC"} xref: PMID:24397404 {source="Europe PMC"} xref: Reaxys:605330 {source="Reaxys"} xref: Wikipedia:Isobutyraldehyde is_a: CHEBI:26282 ! propanals is_a: CHEBI:49188 ! 2-methyl-branched fatty aldehyde relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMIMRNSIRUDHCM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.10572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C(C)C" xsd:string [Term] id: CHEBI:48946 name: 2-methylbutyrate namespace: chebi_ontology subset: 3_STAR synonym: "2-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylbutanoate" RELATED [UniProt] xref: Beilstein:4127269 {source="Beilstein"} is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58956 ! branched-chain saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:37070 ! 2-methylbutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLAMNBDJUVNPJU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)C([O-])=O" xsd:string [Term] id: CHEBI:48958 name: 1,1'-azobis(N,N-dimethylformamide) namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-azobis(N,N-dimethylformamide)" EXACT [ChemIDplus] synonym: "3-(N,N-dimethylcarbamoylimido)-1,1-dimethylurea" RELATED [ChemIDplus] synonym: "azodicarboxylic acid bis-dimethylamide" RELATED [ChemIDplus] synonym: "Diamide" RELATED [ChemIDplus] synonym: "diazenedicarboxylic acid bis(N,N-dimethylamide)" RELATED [ChemIDplus] synonym: "N,N,N',N'-tetramethylazobisformamide" RELATED [ChemIDplus] synonym: "N,N,N',N'-tetramethylazodicarboxamide" RELATED [ChemIDplus] synonym: "N,N,N',N'-tetramethylazoformamide" RELATED [ChemIDplus] synonym: "N,N,N',N'-tetramethyldiazene-1,2-dicarboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "tetramethyldiazenedicarboxamide" RELATED [ChemIDplus] synonym: "TMAD" RELATED [ChemIDplus] xref: Beilstein:1910409 {source="ChemIDplus"} xref: CAS:10465-78-8 {source="ChemIDplus"} xref: Gmelin:913769 {source="Gmelin"} is_a: CHEBI:48959 ! monoazo compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLSDXINSOMDCBK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.18524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.09603" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)N=NC(=O)N(C)C" xsd:string [Term] id: CHEBI:48959 name: monoazo compound namespace: chebi_ontology def: "Compounds containing single -N=N- group." [] subset: 3_STAR synonym: "monoazo compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37533 ! azo compound [Term] id: CHEBI:48960 name: bis(azo) compound namespace: chebi_ontology def: "Any azo compound containing two -N=N- groups." [] subset: 3_STAR synonym: "bis(azo) compound" EXACT IUPAC_NAME [IUPAC] synonym: "bis(azo) compounds" RELATED [ChEBI] is_a: CHEBI:37533 ! azo compound [Term] id: CHEBI:48975 name: substituted aniline namespace: chebi_ontology subset: 3_STAR synonym: "substituted anilines" RELATED [ChEBI] is_a: CHEBI:22562 ! anilines [Term] id: CHEBI:48976 name: 4-nitroanisoles namespace: chebi_ontology def: "Any member of the class of mononitroanisoles in which the nitro group is situated para to the methoxy group." [] subset: 3_STAR is_a: CHEBI:48721 ! mononitroanisoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H3NO3R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.10360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.01129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c([*])c([*])c(c([*])c1[*])[N+]([O-])=O" xsd:string [Term] id: CHEBI:48977 name: 2-methoxy-5-nitroaniline namespace: chebi_ontology subset: 3_STAR synonym: "2-Amino-1-methoxy-4-nitrobenzene" RELATED [ChemIDplus] synonym: "2-Amino-4-nitroanisole" RELATED [ChemIDplus] synonym: "2-Methoxy-5-nitroaniline" EXACT [KEGG_COMPOUND] synonym: "2-methoxy-5-nitroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methoxy-5-nitrobenzenamine" RELATED [ChemIDplus] synonym: "5-Nitro-2-methoxyaniline" RELATED [ChemIDplus] synonym: "5-Nitro-o-anisidine" RELATED [ChemIDplus] synonym: "Azoamine Scarlet K" RELATED [NIST_Chemistry_WebBook] synonym: "Fast Scarlet R" RELATED [ChemIDplus] xref: Beilstein:879620 {source="Beilstein"} xref: CAS:99-59-2 {source="KEGG COMPOUND"} xref: CAS:99-59-2 {source="ChemIDplus"} xref: CAS:99-59-2 {source="NIST Chemistry WebBook"} xref: KEGG:C19469 is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:48976 ! 4-nitroanisoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIPDVSLAMPAWTP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.15010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.05349" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1N)[N+]([O-])=O" xsd:string [Term] id: CHEBI:49020 name: hormone antagonist namespace: chebi_ontology def: "A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR synonym: "hormone antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:49023 name: prostaglandin antagonist namespace: chebi_ontology def: "A compound that inhibits the action of prostaglandins." [] subset: 3_STAR synonym: "prostaglandin inhibitor" RELATED [ChEBI] xref: Wikipedia:Prostaglandin_antagonist is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:49028 name: acetimidic acid namespace: chebi_ontology def: "A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group." [] subset: 3_STAR synonym: "acetimidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "ethanimidic acid" RELATED [IUPAC] xref: Beilstein:2231425 {source="Beilstein"} xref: PMID:17311153 {source="Europe PMC"} xref: PMID:18767022 {source="Europe PMC"} xref: Reaxys:2231425 {source="Reaxys"} is_a: CHEBI:48378 ! carboximidic acid relationship: has_functional_parent CHEBI:15366 ! acetic acid relationship: is_tautomer_of CHEBI:27856 ! acetamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DLFVBJFMPXGRIB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.06724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.03711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=N" xsd:string [Term] id: CHEBI:4903 name: 17alpha-ethynylestradiol namespace: chebi_ontology def: "A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration." [] subset: 3_STAR synonym: "17-ethinyl-3,17-estradiol" RELATED [ChemIDplus] synonym: "17-ethinyl-3,17-oestradiol" RELATED [ChemIDplus] synonym: "17-ethinylestradiol" RELATED [ChemIDplus] synonym: "17alpha-Ethinyl estradiol" RELATED [KEGG_COMPOUND] synonym: "17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol" EXACT IUPAC_NAME [IUPAC] synonym: "17alpha-ethynylestradiol" EXACT [UniProt] synonym: "Ethinyl estradiol" RELATED [KEGG_COMPOUND] synonym: "Ethinylestradiol" RELATED [KEGG_COMPOUND] synonym: "ethinyloestradiol" RELATED [ChemIDplus] synonym: "Ethynyl estradiol" RELATED [KEGG_COMPOUND] xref: Beilstein:2419975 {source="ChemIDplus"} xref: CAS:57-63-6 {source="ChemIDplus"} xref: CAS:57-63-6 {source="KEGG COMPOUND"} xref: Drug_Central:1082 {source="DrugCentral"} xref: DrugBank:DB00977 xref: HMDB:HMDB0001926 xref: KEGG:C07534 xref: KEGG:D00554 xref: LINCS:LSM-5593 xref: LIPID_MAPS_instance:LMST02010036 {source="LIPID MAPS"} xref: PMID:20189629 {source="Europe PMC"} xref: Reaxys:2419975 {source="Reaxys"} xref: VSDB:1887 is_a: CHEBI:36834 ! 3-hydroxy steroid is_a: CHEBI:36838 ! 17-hydroxy steroid is_a: CHEBI:73477 ! terminal acetylenic compound relationship: has_functional_parent CHEBI:16469 ! 17beta-estradiol relationship: has_role CHEBI:76988 ! xenoestrogen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFPYWIDHMRZLRN-SLHNCBLASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.40336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(O)ccc21" xsd:string [Term] id: CHEBI:49043 name: beta-lactone namespace: chebi_ontology subset: 3_STAR synonym: "1,3-lactone" RELATED [ChEBI] synonym: "1,3-lactones" RELATED [ChEBI] synonym: "beta-lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone [Term] id: CHEBI:49073 name: beta-propiolactone namespace: chebi_ontology subset: 3_STAR synonym: "1,3-propiolactone" RELATED [ChemIDplus] synonym: "2-oxetanone" RELATED [ChemIDplus] synonym: "3-hydroxypropionic acid beta-lactone" RELATED [NIST_Chemistry_WebBook] synonym: "3-propanolide" RELATED [ChemIDplus] synonym: "beta-lactone hydracrylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "beta-propanoic acid lactone" RELATED [NIST_Chemistry_WebBook] synonym: "beta-Propiolactone" EXACT [KEGG_COMPOUND] synonym: "beta-propiolactone" EXACT [NIST_Chemistry_WebBook] synonym: "beta-Propiolakton" RELATED [NIST_Chemistry_WebBook] synonym: "beta-propionolactone" RELATED [NIST_Chemistry_WebBook] synonym: "betapron" RELATED [ChEBI] synonym: "betaprone" RELATED [ChEBI] synonym: "hydracrylic acid beta-lactone" RELATED [NIST_Chemistry_WebBook] synonym: "oxetan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "propanolide" RELATED [ChemIDplus] synonym: "propiolactona" RELATED INN [ChemIDplus] synonym: "propiolactone" RELATED INN [ChemIDplus] synonym: "propiolactonum" RELATED INN [ChemIDplus] xref: Beilstein:1360 {source="Beilstein"} xref: CAS:57-57-8 {source="KEGG COMPOUND"} xref: CAS:57-57-8 {source="NIST Chemistry WebBook"} xref: CAS:57-57-8 {source="ChemIDplus"} xref: Drug_Central:3495 {source="DrugCentral"} xref: Gmelin:141556 {source="Gmelin"} xref: KEGG:C19297 xref: KEGG:D05630 is_a: CHEBI:49074 ! propan-3-olide relationship: has_functional_parent CHEBI:33404 ! 3-hydroxypropionic acid relationship: has_parent_hydride CHEBI:30965 ! oxetane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEZXCJBBBCKRPI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.06266" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CCO1" xsd:string [Term] id: CHEBI:49074 name: propan-3-olide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:49043 ! beta-lactone [Term] id: CHEBI:49095 name: beta-amino-acid anion namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37022 ! amino-acid anion [Term] id: CHEBI:49103 name: drug metabolite namespace: chebi_ontology subset: 3_STAR synonym: "drug metabolites" RELATED [ChEBI] is_a: CHEBI:76967 ! human xenobiotic metabolite [Term] id: CHEBI:49105 name: thiamine hydrochloride namespace: chebi_ontology def: "A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid." [] subset: 3_STAR synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride" EXACT [] synonym: "3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride" EXACT [] synonym: "thiamin dichloride" RELATED [] synonym: "thiamin hydrochloride" RELATED [] synonym: "thiamine chloride hydrochloride" RELATED [] synonym: "thiamine dichloride" RELATED [] synonym: "thiamine HCl" RELATED [] synonym: "thiamine(2+) dichloride" RELATED [] synonym: "thiaminium chloride hydrochloride" RELATED [] synonym: "vitamin B1 hydrochloride" RELATED [] xref: AGR:IND605711145 xref: AGR:IND606057536 xref: Beilstein:3642937 xref: Beilstein:3851771 xref: CAS:67-03-8 xref: Chemspider:5967 xref: DrugBank:DBSALT000205 xref: FooDB:FDB008416 xref: Gmelin:31154 xref: Gmelin:691133 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3777 xref: KEGG:D02094 xref: PMID:11548854 xref: PMID:12224421 xref: PMID:21212548 xref: PMID:22305197 xref: PMID:24399744 xref: PMID:25977858 xref: PMID:26616989 xref: PMID:27163892 xref: PMID:28763984 xref: PMID:28784494 xref: PMID:30131156 xref: PMID:31270735 xref: PMID:31664290 xref: PMID:32009117 xref: PMID:32562525 xref: PMID:32824791 xref: Reaxys:17124533 is_a: CHEBI:26948 ! vitamin B1 is_a: CHEBI:36807 ! hydrochloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17N4OS.HCl.Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18Cl2N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPJRMOMPQZCRJU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "337.270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "336.05784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl" xsd:string property_value: IAO:0000118 "thiamin hydrochloride" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:49107 name: thiamine(2+) namespace: chebi_ontology def: "A primary ammonium ion that is the conjugate acid of thiamine(1+) resulting from the protonation of the primary amino group." [] subset: 3_STAR synonym: "3-[(4-ammonio-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" EXACT IUPAC_NAME [IUPAC] synonym: "3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" EXACT IUPAC_NAME [IUPAC] synonym: "thiamine dication" RELATED [ChEBI] xref: Beilstein:3627364 {source="Beilstein"} xref: Chemspider:2620140 xref: Gmelin:677220 {source="Gmelin"} is_a: CHEBI:26948 ! vitamin B1 is_a: CHEBI:65296 ! primary ammonium ion relationship: is_conjugate_acid_of CHEBI:18385 ! thiamine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JZRWCGZRTZMZEH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.36368" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.11904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ncc(C[n+]2csc(CCO)c2C)c([NH3+])n1" xsd:string [Term] id: CHEBI:4911 name: etoposide namespace: chebi_ontology subset: 3_STAR synonym: "(-)-etoposide" RELATED [DrugBank] synonym: "(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)" RELATED [ChemIDplus] synonym: "4-demethylepipodophyllotoxin beta-D-ethylideneglucoside" RELATED [ChemIDplus] synonym: "9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one" RELATED [ChemIDplus] synonym: "Eposin" RELATED BRAND_NAME [DrugBank] synonym: "Etopophos" RELATED BRAND_NAME [DrugBank] synonym: "Etoposide" EXACT [KEGG_COMPOUND] synonym: "etoposide" RELATED INN [ChemIDplus] synonym: "Etoposido" RELATED INN [ChemIDplus] synonym: "etoposidum" RELATED INN [ChemIDplus] synonym: "Lastet" RELATED BRAND_NAME [DrugBank] synonym: "Toposar" RELATED BRAND_NAME [DrugBank] synonym: "trans-Etoposide" RELATED [DrugBank] synonym: "Vepesid" RELATED BRAND_NAME [DrugBank] synonym: "VP-16" RELATED [KEGG_COMPOUND] xref: CAS:33419-42-0 {source="KEGG COMPOUND"} xref: CAS:33419-42-0 {source="ChemIDplus"} xref: Drug_Central:1112 {source="DrugCentral"} xref: DrugBank:DB00773 xref: KEGG:C01576 xref: KEGG:D00125 xref: LINCS:LSM-6348 xref: Patent:US3524844 xref: Wikipedia:Etoposide is_a: CHEBI:22798 ! beta-D-glucoside is_a: CHEBI:50307 ! furonaphthodioxole relationship: has_functional_parent CHEBI:50305 ! podophyllotoxin relationship: has_functional_parent CHEBI:74422 ! 4'-demethylepipodophyllotoxin relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H32O13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VJJPUSNTGOMMGY-MRVIYFEKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "588.55660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "588.18429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O[C@@H]1O[C@@H]2CO[C@@H](C)O[C@H]2[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:49110 name: peripheral nervous system drug namespace: chebi_ontology def: "A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system." [] subset: 3_STAR synonym: "peripheral nervous system agent" RELATED [ChEBI] synonym: "peripheral nervous system drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:49167 name: anti-asthmatic drug namespace: chebi_ontology def: "A drug used to treat asthma." [] subset: 3_STAR synonym: "anti-asthmatic agent" RELATED [ChEBI] synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "anti-asthmatic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:65023 ! anti-asthmatic agent [Term] id: CHEBI:49168 name: dopa namespace: chebi_ontology def: "A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring." [] subset: 3_STAR synonym: "(+-)-3-(3,4-dihydroxyphenyl)alanine" RELATED [ChemIDplus] synonym: "(+-)-dopa" RELATED [ChemIDplus] synonym: "(R,S)-dopa" RELATED [ChemIDplus] synonym: "2-amino-3-(3,4-dihydroxyphenyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3',4'-dihydroxyphenylalanine" RELATED [NIST_Chemistry_WebBook] synonym: "3-hydroxy-DL-tyrosine" RELATED [ChemIDplus] synonym: "3-hydroxytyrosine" RELATED [IUPAC] synonym: "beta-(3,4-dihydroxyphenyl)-DL-alpha-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "DL-3,4-dopa" RELATED [ChemIDplus] synonym: "dl-beta-(3,4-dihydroxyphenyl)-alpha-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "DL-beta-(3,4-dihydroxyphenyl)alanine" RELATED [NIST_Chemistry_WebBook] synonym: "DL-dihydroxyphenylalanine" RELATED [ChemIDplus] synonym: "DL-dioxyphenylalanine" RELATED [ChemIDplus] synonym: "dopa" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1462084 {source="Beilstein"} xref: CAS:63-84-3 {source="NIST Chemistry WebBook"} xref: CAS:63-84-3 {source="ChemIDplus"} xref: Gmelin:51382 {source="Gmelin"} xref: HMDB:HMDB0000609 xref: PMID:24117106 {source="Europe PMC"} xref: Reaxys:1462084 {source="Reaxys"} is_a: CHEBI:24734 ! hydroxyphenylalanine is_a: CHEBI:62761 ! tyrosine derivative relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.18798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.06881" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)c(O)c1)C(O)=O" xsd:string [Term] id: CHEBI:49169 name: D-dopa namespace: chebi_ontology def: "The D-enantiomer of dopa." [] subset: 3_STAR synonym: "(+)-3,4-dihydroxyphenylalanine" RELATED [ChemIDplus] synonym: "(+)-3-(3,4-dihydroxyphenyl)alanine" RELATED [ChemIDplus] synonym: "(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-dihydroxy-D-phenylalanine" RELATED [ChemIDplus] synonym: "3-hydroxy-D-tyrosine" RELATED [ChemIDplus] synonym: "D-3,4-dihydroxyphenylalanine" RELATED [ChemIDplus] synonym: "D-3-(3,4-dihydroxyphenyl)alanine" RELATED [ChemIDplus] synonym: "D-dopa" EXACT IUPAC_NAME [IUPAC] synonym: "dopa D-form" RELATED [ChemIDplus] xref: Beilstein:2417637 {source="Beilstein"} xref: CAS:5796-17-8 {source="ChemIDplus"} xref: Gmelin:1862048 {source="Gmelin"} xref: PMID:21210766 {source="Europe PMC"} xref: PMID:22454242 {source="Europe PMC"} xref: PMID:24190293 {source="Europe PMC"} xref: PMID:3129126 {source="Europe PMC"} xref: Reaxys:2417637 {source="Reaxys"} xref: Wikipedia:D-DOPA is_a: CHEBI:49168 ! dopa is_a: CHEBI:84124 ! D-tyrosine derivative relationship: is_enantiomer_of CHEBI:15765 ! L-dopa relationship: is_tautomer_of CHEBI:149689 ! D-dopa zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-ZCFIWIBFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.18798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.06881" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccc(O)c(O)c1)C(O)=O" xsd:string [Term] id: CHEBI:4917 name: eugenol namespace: chebi_ontology def: "A phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, analgesic and antioxidant properties. It has been widely used in dentistry to treat toothache and pulpitis." [] subset: 3_STAR synonym: "1,3,4-Eugenol" RELATED [NIST_Chemistry_WebBook] synonym: "1-allyl-3-methoxy-4-hydroxybenzene" RELATED [ChEBI] synonym: "1-allyl-4-hydroxy-3-methoxybenzene" RELATED [ChEBI] synonym: "1-Hydroxy-2-methoxy-4-allylbenzene" RELATED [ChemIDplus] synonym: "1-Hydroxy-2-methoxy-4-prop-2-enylbenzene" RELATED [ChemIDplus] synonym: "1-Hydroxy-2-methoxy-4-propenylbenzene" RELATED [ChemIDplus] synonym: "2-Hydroxy-5-allylanisole" RELATED [NIST_Chemistry_WebBook] synonym: "2-Methoxy-1-hydroxy-4-allylbenzene" RELATED [ChemIDplus] synonym: "2-Methoxy-4-(2-propen-1-yl)phenol" RELATED [ChemIDplus] synonym: "2-methoxy-4-(2-propen-1-yl)phenol" RELATED [ChEBI] synonym: "2-Methoxy-4-(2-propenyl)phenol" RELATED [HMDB] synonym: "2-methoxy-4-(prop-2-en-1-yl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methoxy-4-allylphenol" RELATED [ChemIDplus] synonym: "2-methoxy-4-prop-2-enyl-phenol" RELATED [PDBeChem] synonym: "2-Methoxy-4-prop-2-enylphenol" RELATED [ChemIDplus] synonym: "4-Allyl-1-hydroxy-2-methoxybenzene" RELATED [ChemIDplus] synonym: "4-Allyl-2-methoxyphenol" RELATED [HMDB] synonym: "4-allyl-2-methoxyphenol" RELATED [IUPAC] synonym: "4-Allylcatechol-2-methyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "4-Allylguaiacol" RELATED [ChemIDplus] synonym: "4-Hydroxy-3-methoxy-1-allylbenzene" RELATED [ChemIDplus] synonym: "Allylguaiacol" RELATED [ChemIDplus] synonym: "Caryophyllic acid" RELATED [ChemIDplus] synonym: "Eugenic acid" RELATED [ChemIDplus] synonym: "Eugenol" EXACT [KEGG_COMPOUND] synonym: "eugenol" EXACT [UniProt] synonym: "p-Allylguaiacol" RELATED [ChemIDplus] synonym: "p-Eugenol" RELATED [ChemIDplus] xref: Beilstein:1366759 {source="Beilstein"} xref: BPDB:2008 xref: CAS:97-53-0 {source="ChemIDplus"} xref: CAS:97-53-0 {source="NIST Chemistry WebBook"} xref: Chemspider:13876103 xref: Drug_Central:4648 {source="DrugCentral"} xref: FooDB:FDB012171 xref: HMDB:HMDB0005809 xref: KEGG:C10453 xref: KEGG:D04117 xref: KNApSAcK:C00000619 xref: LINCS:LSM-2720 xref: MetaCyc:CPD-6481 xref: PDBeChem:EOL xref: PMID:11033063 {source="Europe PMC"} xref: PMID:11806158 {source="Europe PMC"} xref: PMID:14745850 {source="Europe PMC"} xref: PMID:15574415 {source="Europe PMC"} xref: PMID:18218839 {source="Europe PMC"} xref: PMID:20809147 {source="Europe PMC"} xref: PMID:22075131 {source="Europe PMC"} xref: PMID:22923067 {source="Europe PMC"} xref: PMID:23181601 {source="Europe PMC"} xref: PMID:23261812 {source="Europe PMC"} xref: PMID:23264268 {source="Europe PMC"} xref: PMID:2329164 {source="Europe PMC"} xref: PMID:23313798 {source="Europe PMC"} xref: PMID:23325490 {source="Europe PMC"} xref: PMID:23422484 {source="Europe PMC"} xref: PMID:23422489 {source="Europe PMC"} xref: PMID:23444040 {source="Europe PMC"} xref: PMID:23594212 {source="Europe PMC"} xref: PMID:23666640 {source="Europe PMC"} xref: PMID:23677922 {source="Europe PMC"} xref: PMID:23707945 {source="Europe PMC"} xref: PMID:23768603 {source="Europe PMC"} xref: PMID:23768604 {source="Europe PMC"} xref: PMID:23791894 {source="Europe PMC"} xref: PMID:23837051 {source="Europe PMC"} xref: PMID:23841789 {source="Europe PMC"} xref: PMID:23852671 {source="Europe PMC"} xref: PMID:28044068 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:32737935 {source="Europe PMC"} xref: PMID:33291666 {source="Europe PMC"} xref: PMID:33916044 {source="Europe PMC"} xref: PMID:8596779 {source="Europe PMC"} xref: PMID:9084914 {source="Europe PMC"} xref: Reaxys:1366759 {source="Reaxys"} xref: Wikipedia:Eugenol is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:26004 ! phenylpropanoid relationship: has_functional_parent CHEBI:28591 ! guaiacol relationship: has_role CHEBI:139492 ! sensitiser relationship: has_role CHEBI:27311 ! volatile oil component relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35617 ! flavouring agent relationship: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor relationship: has_role CHEBI:38634 ! voltage-gated sodium channel blocker relationship: has_role CHEBI:38867 ! anaesthetic relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:67079 ! anti-inflammatory agent relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:73240 ! NF-kappaB inhibitor relationship: has_role CHEBI:85234 ! human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRAFCDWBNXTKKO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC1=CC(CC=C)=CC=C1O" xsd:string [Term] id: CHEBI:4918 name: O-methyleugenol namespace: chebi_ontology subset: 3_STAR synonym: "1,2-Dimethoxy-4-(2-propenyl)benzene" RELATED [ChemIDplus] synonym: "1,2-dimethoxy-4-(prop-2-en-1-yl)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "Eugenol methyl ether" RELATED [KEGG_COMPOUND] synonym: "Methyl eugenol" RELATED [ChemIDplus] synonym: "Methyleugenol" RELATED [ChemIDplus] synonym: "O-Methyleugenol" EXACT [KEGG_COMPOUND] xref: BPDB:2504 xref: CAS:93-15-2 {source="KEGG COMPOUND"} xref: CAS:93-15-2 {source="ChemIDplus"} xref: KEGG:C10454 xref: KNApSAcK:C00002741 is_a: CHEBI:26004 ! phenylpropanoid relationship: has_functional_parent CHEBI:4917 ! eugenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZYEMGPIYFIJGTP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.22766" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CC=C)cc1OC" xsd:string [Term] id: CHEBI:49188 name: 2-methyl-branched fatty aldehyde namespace: chebi_ontology subset: 3_STAR synonym: "2-methyl-branched fatty aldehyde" EXACT [ChEBI] synonym: "2-methyl-branched fatty aldehydes" RELATED [ChEBI] synonym: "a 2-methyl-branched fatty aldehyde" RELATED [UniProt] synonym: "alpha-methyl fatty aldehyde" RELATED [ChEBI] synonym: "alpha-methyl fatty aldehydes" RELATED [ChEBI] is_a: CHEBI:35746 ! fatty aldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.07120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.03404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C(C)[*]" xsd:string [Term] id: CHEBI:49200 name: EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor namespace: chebi_ontology def: "An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H(+)/K(+)-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors." [] subset: 3_STAR synonym: "(K(+) + H(+))-ATPase inhibitor" RELATED [ChEBI] synonym: "(K(+) + H(+))-ATPase inhibitors" RELATED [ChEBI] synonym: "ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (H(+)/K(+)-exchanging) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.10 inhibitor" RELATED [ChEBI] synonym: "EC 3.6.3.10 inhibitors" RELATED [ChEBI] synonym: "H(+)-K(+)-ATPase inhibitor" RELATED [ChEBI] synonym: "H(+)-K(+)-ATPase inhibitors" RELATED [ChEBI] synonym: "H(+)/K(+)-ATPase inhibitor" RELATED [ChEBI] synonym: "H(+)/K(+)-ATPase inhibitors" RELATED [ChEBI] synonym: "H(+)/K(+)-exchanging ATPase inhibitor" RELATED [ChEBI] synonym: "H(+)/K(+)-exchanging ATPase inhibitors" RELATED [ChEBI] synonym: "H,K-ATPase inhibitor" RELATED [ChEBI] synonym: "H,K-ATPase inhibitors" RELATED [ChEBI] synonym: "proton pump inhibitor" RELATED [ChEBI] synonym: "proton pump inhibitors" RELATED [ChEBI] xref: Wikipedia:Proton_pump_inhibitor is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor [Term] id: CHEBI:49201 name: anti-ulcer drug namespace: chebi_ontology def: "One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract." [] subset: 3_STAR synonym: "anti-ulcer agent" RELATED [ChEBI] synonym: "anti-ulcer agents" RELATED [ChEBI] synonym: "anti-ulcer drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:49202 name: elemental platinum namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33749 ! platinum molecular entity [Term] id: CHEBI:49205 name: CETP inhibitor namespace: chebi_ontology def: "Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis)." [] subset: 3_STAR synonym: "CETP inhibitors" RELATED [ChEBI] synonym: "cholesteryl ester transfer protein inhibitor" RELATED [ChEBI] xref: Wikipedia:CETP_inhibitor is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:49302 name: 2-hydroxy monocarboxylic acid namespace: chebi_ontology alt_id: CHEBI:19626 alt_id: CHEBI:35967 subset: 3_STAR synonym: "2-hydroxy acid" RELATED [ChEBI] synonym: "2-hydroxy monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35868 ! hydroxy monocarboxylic acid [Term] id: CHEBI:49318 name: piperidine antibiotic namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:26151 ! piperidines [Term] id: CHEBI:49319 name: carbocyclic antibiotic namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33598 ! carbocyclic compound relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:49322 name: anthracycline antibiotic namespace: chebi_ontology alt_id: CHEBI:22573 alt_id: CHEBI:22574 def: "An organic compound that has a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine and which exhibits antibiotic activity." [] subset: 3_STAR synonym: "anthracycline antibiotics" RELATED [ChEBI] synonym: "anthracyclines" RELATED [ChEBI] is_a: CHEBI:48120 ! anthracycline relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:49323 name: contraceptive drug namespace: chebi_ontology def: "A chemical substance that prevents or reduces the probability of conception." [] subset: 3_STAR synonym: "contraceptive agent" RELATED [ChEBI] synonym: "contraceptive drugs" RELATED [ChEBI] is_a: CHEBI:50689 ! reproductive control drug [Term] id: CHEBI:49324 name: female contraceptive drug namespace: chebi_ontology def: "A chemical substance or agent with contraceptive activity in females." [] subset: 3_STAR synonym: "female contraceptive agent" RELATED [ChEBI] synonym: "female contraceptive drugs" RELATED [ChEBI] is_a: CHEBI:49323 ! contraceptive drug [Term] id: CHEBI:49325 name: oral contraceptive namespace: chebi_ontology def: "A compound, usually hormonal, taken orally in order to block ovulation and prevent the occurrence of pregnancy." [] subset: 3_STAR synonym: "oral contraceptives" RELATED [ChEBI] is_a: CHEBI:49324 ! female contraceptive drug [Term] id: CHEBI:49382 name: bromic acid namespace: chebi_ontology alt_id: CHEBI:22924 alt_id: CHEBI:49377 subset: 3_STAR synonym: "[BrO2(OH)]" RELATED [IUPAC] synonym: "acide bromique" RELATED [ChEBI] synonym: "acido bromico" RELATED [ChEBI] synonym: "acidum bromicum" RELATED [ChEBI] synonym: "bromic acid" EXACT [PDBeChem] synonym: "bromic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Bromsaeure" RELATED [ChEBI] synonym: "HBrO3" RELATED [IUPAC] synonym: "hydroxidodioxidobromine" EXACT IUPAC_NAME [IUPAC] xref: CAS:7789-31-3 {source="ChemIDplus"} xref: Chemspider:22853 xref: Gmelin:25861 {source="Gmelin"} xref: PDBeChem:202 xref: PMID:18568897 {source="Europe PMC"} xref: PMID:24090308 {source="Europe PMC"} xref: PMID:26699274 {source="Europe PMC"} xref: Wikipedia:Bromic_acid is_a: CHEBI:33427 ! bromine oxoacid relationship: is_conjugate_acid_of CHEBI:29223 ! bromate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrHO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SXDBWCPKPHAZSM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "128.91014" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "127.91091" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OBr(=O)=O" xsd:string [Term] id: CHEBI:49496 name: gold(3+) namespace: chebi_ontology alt_id: CHEBI:30026 alt_id: CHEBI:49495 subset: 3_STAR synonym: "Au(3+)" RELATED [IUPAC] synonym: "GOLD 3+ ION" RELATED [PDBeChem] synonym: "gold(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "gold(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "gold(3+), ion" RELATED [ChemIDplus] synonym: "gold(III) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:16065-91-1 {source="ChemIDplus"} xref: Gmelin:15991 {source="Gmelin"} xref: PDBeChem:AU3 is_a: CHEBI:27153 ! monoatomic trication is_a: CHEBI:33970 ! elemental gold property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Au" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Au/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CBMIPXHVOVTTTL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.96655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.96492" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Au+3]" xsd:string [Term] id: CHEBI:4953 name: exemestane namespace: chebi_ontology def: "A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer." [] subset: 3_STAR synonym: "6-methyleneandrosta-1,4-diene-3,17-dione" RELATED [ChemIDplus] synonym: "6-methylideneandrosta-1,4-diene-3,17-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Exemestane" EXACT [KEGG_COMPOUND] synonym: "exemestane" RELATED INN [ChemIDplus] synonym: "exemestano" RELATED INN [ChemIDplus] synonym: "exemestanum" RELATED INN [ChemIDplus] xref: CAS:107868-30-4 {source="ChemIDplus"} xref: CAS:107868-30-4 {source="KEGG COMPOUND"} xref: Drug_Central:1122 {source="DrugCentral"} xref: DrugBank:DB00990 xref: KEGG:C08162 xref: KEGG:D00963 xref: PMID:10882163 {source="Europe PMC"} xref: Reaxys:6609645 {source="Reaxys"} xref: Wikipedia:Exemestane is_a: CHEBI:19168 ! 17-oxo steroid is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid relationship: has_parent_hydride CHEBI:35509 ! androstane relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50790 ! EC 1.14.14.14 (aromatase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFYIZQONLCFLEV-DAELLWKTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.40340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]" xsd:string [Term] id: CHEBI:49575 name: diazepam namespace: chebi_ontology alt_id: CHEBI:4494 alt_id: CHEBI:49574 def: "A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5." [] subset: 3_STAR synonym: "7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one" RELATED [NIST_Chemistry_WebBook] synonym: "7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Diazepam" EXACT [KEGG_COMPOUND] synonym: "methyl diazepinone" RELATED [ChemIDplus] synonym: "Valium" RELATED [ChemIDplus] xref: Beilstein:754371 {source="Beilstein"} xref: CAS:439-14-5 {source="NIST Chemistry WebBook"} xref: CAS:439-14-5 {source="ChemIDplus"} xref: CAS:439-14-5 {source="KEGG COMPOUND"} xref: Drug_Central:852 {source="DrugCentral"} xref: DrugBank:DB00829 xref: Gmelin:124061 {source="Gmelin"} xref: HMDB:HMDB0014967 xref: KEGG:C06948 xref: KEGG:D00293 xref: LINCS:LSM-2359 xref: PDBeChem:DZP xref: PMID:11925051 {source="Europe PMC"} xref: PMID:16365514 {source="Europe PMC"} xref: PMID:16780966 {source="Europe PMC"} xref: Reaxys:754371 {source="Reaxys"} xref: VSDB:2972 xref: Wikipedia:Diazepam is_a: CHEBI:35500 ! 1,4-benzodiazepinone is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:35474 ! anxiolytic drug relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35717 ! sedative relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H13ClN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AAOVKJBEBIDNHE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.74000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.07164" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc12" xsd:string [Term] id: CHEBI:49603 name: lapatinib namespace: chebi_ontology alt_id: CHEBI:38636 alt_id: CHEBI:49602 subset: 3_STAR synonym: "GW 572016" RELATED [ChemIDplus] synonym: "N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine" RELATED [ChemIDplus] synonym: "N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine" EXACT IUPAC_NAME [IUPAC] synonym: "N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE" RELATED [PDBeChem] synonym: "Tykerb" RELATED [ChemIDplus] xref: Beilstein:10502247 {source="Beilstein"} xref: CAS:231277-92-2 {source="ChemIDplus"} xref: Drug_Central:1548 {source="DrugCentral"} xref: DrugBank:DB01259 xref: LINCS:LSM-1051 xref: PDBeChem:FMM xref: Wikipedia:Lapatinib is_a: CHEBI:24129 ! furans is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:38530 ! quinazolines relationship: has_functional_parent CHEBI:5115 ! monofluorobenzene relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:38637 ! tyrosine kinase inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H26ClFN4O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BCFGMOOMADDAQU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "581.05840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "580.13473" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1" xsd:string [Term] id: CHEBI:49637 name: hydrogen atom namespace: chebi_ontology alt_id: CHEBI:24634 alt_id: CHEBI:49636 subset: 3_STAR synonym: "1H" RELATED [IUPAC] synonym: "H" RELATED [IUPAC] synonym: "hidrogeno" RELATED [ChEBI] synonym: "hydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen" RELATED [ChEBI] synonym: "hydrogene" RELATED [ChEBI] synonym: "Wasserstoff" RELATED [ChEBI] xref: WebElements:H is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33559 ! s-block element atom relationship: has_role CHEBI:33937 ! macronutrient property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1.00794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]" xsd:string [Term] id: CHEBI:49662 name: indometacin namespace: chebi_ontology alt_id: CHEBI:49660 alt_id: CHEBI:5918 def: "A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis." [] subset: 3_STAR synonym: "1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid" RELATED [ChemIDplus] synonym: "[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Aconip" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Indocin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Indocin" RELATED [ChemIDplus] synonym: "indometacin" RELATED INN [ChemIDplus] synonym: "indometacina" RELATED INN [ChemIDplus] synonym: "indometacine" RELATED INN [ChemIDplus] synonym: "indometacinum" RELATED INN [ChemIDplus] synonym: "Indomethacin" RELATED [KEGG_COMPOUND] synonym: "{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid" RELATED [PDBeChem] xref: Beilstein:497341 {source="Beilstein"} xref: CAS:53-86-1 {source="KEGG COMPOUND"} xref: CAS:53-86-1 {source="ChemIDplus"} xref: CAS:53-86-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:1440 {source="DrugCentral"} xref: DrugBank:DB00328 xref: Gmelin:1446006 {source="Gmelin"} xref: HMDB:HMDB0014473 xref: KEGG:C01926 xref: KEGG:D00141 xref: KNApSAcK:C00030512 xref: LINCS:LSM-3275 xref: MetaCyc:CPD-10545 xref: Patent:BE379378 xref: Patent:US3161654 xref: PDBeChem:IMN xref: PMID:22931205 {source="Europe PMC"} xref: PMID:23992308 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:5952296 {source="Europe PMC"} xref: PMID:6039425 {source="Europe PMC"} xref: Reaxys:497341 {source="Reaxys"} xref: Wikipedia:Indometacin is_a: CHEBI:24803 ! indole-3-acetic acids is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:75884 ! N-acylindole is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35845 ! gout suppressant relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H16ClNO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CGIGDMFJXJATDK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "357.78800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.07679" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1" xsd:string [Term] id: CHEBI:49703 name: latrunculin B namespace: chebi_ontology def: "A macrolide consisting of a 14-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica." [] subset: 3_STAR synonym: "(+)-latrunculin B" RELATED [ChEBI] synonym: "(4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Lat B" RELATED [ChEBI] synonym: "LAT-B" RELATED [ChemIDplus] synonym: "LATRUNCULIN B" EXACT [PDBeChem] xref: CAS:76343-94-7 {source="ChemIDplus"} xref: PDBeChem:LAB xref: PMID:14613176 {source="Europe PMC"} xref: PMID:16499319 {source="Europe PMC"} xref: PMID:18342638 {source="Europe PMC"} xref: PMID:21831923 {source="Europe PMC"} xref: PMID:22138731 {source="Europe PMC"} xref: PMID:22175603 {source="Europe PMC"} xref: PMID:22247475 {source="Europe PMC"} xref: PMID:23341780 {source="Europe PMC"} xref: PMID:23483897 {source="Europe PMC"} xref: PMID:23541521 {source="Europe PMC"} xref: PMID:23727052 {source="Europe PMC"} xref: PMID:23935614 {source="Europe PMC"} xref: Reaxys:5456050 {source="Reaxys"} is_a: CHEBI:25106 ! macrolide is_a: CHEBI:46733 ! oxabicycloalkane is_a: CHEBI:48891 ! thiazolidinone is_a: CHEBI:59780 ! cyclic hemiketal relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H29NO5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSHPHXHGRHSMIK-JRIKCGFMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "395.51300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "395.17664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\\C=C/CC\\C(C)=C/C(=O)O2)O1" xsd:string [Term] id: CHEBI:49706 name: perchlorate namespace: chebi_ontology alt_id: CHEBI:29220 alt_id: CHEBI:49705 def: "A monovalent inorganic anion obtained by deprotonation of perchloric acid." [] subset: 3_STAR synonym: "[ClO4](-)" RELATED [MolBase] synonym: "Chlorat(VII)" RELATED [ChEBI] synonym: "ClO4(-)" RELATED [IUPAC] synonym: "Perchlorat" RELATED [ChEBI] synonym: "perchlorate" EXACT IUPAC_NAME [IUPAC] synonym: "PERCHLORATE ION" RELATED [PDBeChem] synonym: "tetraoxidochlorate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "tetraoxochlorate" RELATED [UniProt] synonym: "tetraoxochlorate(1-)" RELATED [IUPAC] synonym: "tetraoxochlorate(VII)" RELATED [IUPAC] xref: CAS:14797-73-0 {source="NIST Chemistry WebBook"} xref: CAS:14797-73-0 {source="ChemIDplus"} xref: DrugBank:DB03138 xref: Gmelin:2136 {source="Gmelin"} xref: MolBase:1883 xref: PDBeChem:LCP is_a: CHEBI:33437 ! chlorine oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:29221 ! perchloric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLTRZXGMWDSKGL-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "99.45030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.94906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]Cl(=O)(=O)=O" xsd:string [Term] id: CHEBI:49709 name: chlorate namespace: chebi_ontology alt_id: CHEBI:13967 alt_id: CHEBI:49708 def: "A monovalent inorganic anion obtained by deprotonation of chloric acid." [] subset: 3_STAR synonym: "[ClO3](-)" RELATED [ChEBI] synonym: "chlorate" EXACT IUPAC_NAME [IUPAC] synonym: "chlorate" EXACT [UniProt] synonym: "CHLORATE ION" RELATED [PDBeChem] synonym: "ClO3(-)" RELATED [IUPAC] synonym: "trioxidochlorate(1-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14866-68-3 {source="ChemIDplus"} xref: Gmelin:1491 {source="Gmelin"} xref: PDBeChem:LCO is_a: CHEBI:33437 ! chlorine oxoanion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_base_of CHEBI:17322 ! chloric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XTEGARKTQYYJKE-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "83.45090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "82.95415" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]Cl(=O)=O" xsd:string [Term] id: CHEBI:49713 name: lithium(1+) namespace: chebi_ontology alt_id: CHEBI:30143 alt_id: CHEBI:49711 subset: 3_STAR synonym: "Li(+)" RELATED [UniProt] synonym: "Li(+)" RELATED [IUPAC] synonym: "lithium cation" RELATED [NIST_Chemistry_WebBook] synonym: "LITHIUM ION" RELATED [PDBeChem] synonym: "lithium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "lithium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "lithium(I) cation" EXACT IUPAC_NAME [IUPAC] synonym: "lithium, ion" RELATED [NIST_Chemistry_WebBook] synonym: "Lithium, ion (Li1+)" RELATED [ChemIDplus] xref: CAS:17341-24-1 {source="NIST Chemistry WebBook"} xref: CAS:17341-24-1 {source="ChemIDplus"} xref: DrugBank:DB01356 xref: Gmelin:15205 {source="Gmelin"} xref: PDBeChem:LI is_a: CDNO:0000012 ! trace element is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33504 ! alkali metal cation is_a: CHEBI:60242 ! monovalent inorganic cation property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Li" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HBBGRARXTFLTSG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "6.94100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "7.01545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:49747 name: methylmercury(1+) namespace: chebi_ontology alt_id: CHEBI:30784 alt_id: CHEBI:49745 subset: 3_STAR synonym: "[HgCH3](+)" RELATED [IUPAC] synonym: "[HgMe](+)" RELATED [IUPAC] synonym: "CH3Hg(+)" RELATED [IUPAC] synonym: "CH3Hg+" RELATED [KEGG_COMPOUND] synonym: "METHYL MERCURY ION" RELATED [PDBeChem] synonym: "Methylmercury II" RELATED [ChemIDplus] synonym: "Methylmercury ion" RELATED [KEGG_COMPOUND] synonym: "methylmercury ion(1+)" RELATED [ChemIDplus] synonym: "methylmercury(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "methylmercury(II)" RELATED [IUPAC] synonym: "methylmercury(II) cation" RELATED [ChemIDplus] synonym: "monomethylmercury cation" RELATED [ChemIDplus] xref: Beilstein:3902999 {source="Beilstein"} xref: CAS:22967-92-6 {source="ChemIDplus"} xref: DrugBank:DB03674 xref: Gmelin:1406 {source="Gmelin"} xref: KEGG:C18672 xref: PDBeChem:MMC is_a: CHEBI:25322 ! methylmercury compound property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3Hg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3.Hg/h1H3;/q;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DBUXSCUEGJMZAE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.62452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "216.99357" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Hg+]" xsd:string [Term] id: CHEBI:497734 name: L-thialysine namespace: chebi_ontology alt_id: CHEBI:45515 def: "A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects." [] subset: 3_STAR synonym: "(2R)-2-amino-3-(2-aminoethylsulfanyl)propanoic acid" RELATED [PDB] synonym: "(R)-2-amino-3-(2-aminoethylthio)propanoic acid" RELATED [ChEMBL] synonym: "2-Aminoethylcysteine" RELATED [HMDB] synonym: "4-Thia-L-lysine" RELATED [HMDB] synonym: "4-Thialysine" RELATED [HMDB] synonym: "Aminoethylcysteine" RELATED [ChemIDplus] synonym: "gamma-Thia-lys" RELATED [ChemIDplus] synonym: "gamma-Thialysine" RELATED [ChemIDplus] synonym: "S-(2-aminoethyl)-L-cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "S-2-Aminoethyl cysteine" RELATED [ChemIDplus] synonym: "S-beta-Aminoethyl cysteine" RELATED [ChemIDplus] synonym: "Thiosine" RELATED [ChemIDplus] xref: Beilstein:1705488 {source="Beilstein"} xref: CAS:2936-69-8 {source="ChemIDplus"} xref: Gmelin:1006349 {source="Gmelin"} xref: HMDB:HMDB0033518 xref: PMID:11370852 {source="Europe PMC"} xref: PMID:17165731 {source="Europe PMC"} xref: PMID:17524640 {source="ChEMBL"} xref: PMID:19634897 {source="Europe PMC"} xref: PMID:19685884 {source="Europe PMC"} xref: PMID:7654708 {source="Europe PMC"} xref: Reaxys:1705488 {source="Reaxys"} xref: Wikipedia:S-Aminoethyl-L-cysteine is_a: CHEBI:27532 ! L-cysteine thioether is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: has_role CHEBI:75190 ! EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor relationship: is_conjugate_base_of CHEBI:156132 ! L-thialysinium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHSJKUNUIHUPDF-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.22600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.06195" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCSC[C@H](N)C(O)=O" xsd:string [Term] id: CHEBI:4986 name: fatty acid methyl ester namespace: chebi_ontology alt_id: CHEBI:13635 alt_id: CHEBI:24023 def: "A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol." [] subset: 3_STAR synonym: "a fatty acid methyl ester" RELATED [UniProt] synonym: "FAME" RELATED [ChEBI] synonym: "Fatty acid methyl ester" EXACT [KEGG_COMPOUND] synonym: "fatty acid methyl esters" RELATED [ChEBI] xref: KEGG:C03395 xref: MetaCyc:Fatty-acid-methyl-esters xref: Wikipedia:Fatty_acid_methyl_ester is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:35748 ! fatty acid ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC([*])=O" xsd:string [Term] id: CHEBI:49900 name: arsenous acid namespace: chebi_ontology alt_id: CHEBI:22635 alt_id: CHEBI:49899 def: "An arsenic oxoacid consisting of three hydroxy groups attached to a central arsenic atom." [] subset: 3_STAR synonym: "[As(OH)3]" RELATED [IUPAC] synonym: "Arsenic trioxide" RELATED [KEGG_COMPOUND] synonym: "arsenous acid" EXACT [ChEBI] synonym: "arsenous acid" EXACT [IUPAC] synonym: "arsorous acid" RELATED [IUPAC] synonym: "As(OH)3" RELATED [IUPAC] synonym: "H3AsO3" RELATED [IUPAC] synonym: "trihydrogen trioxoarsenate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidoarsenic" EXACT IUPAC_NAME [IUPAC] synonym: "TRIHYDROXYARSENITE(III)" RELATED [PDBeChem] synonym: "trioxoarsenic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:1327-53-3 {source="KEGG COMPOUND"} xref: CAS:13464-58-9 {source="ChemIDplus"} xref: DrugBank:DB04456 xref: Gmelin:1397624 {source="Gmelin"} xref: KEGG:C06697 xref: KEGG:C13619 xref: KEGG:D02106 xref: PDBeChem:TAS xref: UM-BBD_compID:c0532 {source="UM-BBD"} is_a: CHEBI:33407 ! arsenic oxoacid relationship: is_conjugate_acid_of CHEBI:29242 ! arsenite(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O3/c2-1(3)4/h2-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GCPXMJHSNVMWNM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "125.94362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.92981" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[As](O)O" xsd:string [Term] id: CHEBI:49976 name: zinc dichloride is_a: CHEBI:27364 ! zinc molecular entity is_a: CHEBI:36093 ! inorganic chloride [Term] id: CHEBI:4998 name: fenarimol namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-fenarimol. A sterol demethylation inhibitor, it is used as a fungicide for the treatment of blackspot, mildew and rust in tomatoes, peppers and melons, but is not approved for use within the European Union." [] subset: 3_STAR synonym: "(+-)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol" RELATED [ChemIDplus] synonym: "(+-)-fenarimol" RELATED [HMDB] synonym: "(2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol" RELATED [NIST_Chemistry_WebBook] synonym: "(RS)-2,4'-dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol" RELATED [Alan_Wood's_Pesticides] synonym: "2,4'-dichloro-alpha(pyrimidin-5-yl)benzhydryl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol" RELATED [Alan_Wood's_Pesticides] synonym: "EL 222" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "fenarimol" EXACT [ChEBI] synonym: "rac-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol" EXACT IUPAC_NAME [IUPAC] synonym: "rac-(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol" RELATED [Alan_Wood's_Pesticides] synonym: "rac-fenarimol" RELATED [ChEBI] synonym: "Rimidin" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Rubigan" RELATED BRAND_NAME [NIST_Chemistry_WebBook] xref: CAS:60168-88-9 {source="ChemIDplus"} xref: CAS:60168-88-9 {source="NIST Chemistry WebBook"} xref: CAS:60168-88-9 {source="KEGG COMPOUND"} xref: CAS:60168-88-9 {source="Alan Wood's Pesticides"} xref: HMDB:HMDB0040599 xref: KEGG:C11226 xref: Patent:US3818009 xref: Patent:US3869456 xref: Patent:US3887708 xref: Pesticides:fenarimol {source="Alan Wood's Pesticides"} xref: PMID:12146625 {source="Europe PMC"} xref: PMID:14700530 {source="Europe PMC"} xref: PMID:15866470 {source="Europe PMC"} xref: PMID:18372651 {source="Europe PMC"} xref: PMID:22955670 {source="Europe PMC"} xref: PMID:23664474 {source="Europe PMC"} xref: PMID:8637508 {source="Europe PMC"} xref: Reaxys:5972869 {source="Reaxys"} xref: Wikipedia:Fenarimol is_a: CHEBI:60911 ! racemate is_a: CHEBI:87207 ! pyrimidine fungicide relationship: has_part CHEBI:83688 ! (R)-fenarimol relationship: has_part CHEBI:83689 ! (S)-fenarimol relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H12Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.19600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03267" xsd:string [Term] id: CHEBI:5001 name: fenofibrate namespace: chebi_ontology def: "A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring." [] subset: 3_STAR synonym: "2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester" RELATED [ChemIDplus] synonym: "Antara" RELATED BRAND_NAME [DrugBank] synonym: "Fenofibrate" EXACT [KEGG_COMPOUND] synonym: "Finofibrate" RELATED [DrugBank] synonym: "FNF" RELATED [DrugBank] synonym: "Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate" RELATED [ChemIDplus] synonym: "Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate" RELATED [ChemIDplus] synonym: "Lipantil" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Lipofen" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Procetofen" RELATED [ChemIDplus] synonym: "propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Tricor" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Triglide" RELATED BRAND_NAME [KEGG_DRUG] xref: CAS:49562-28-9 {source="ChemIDplus"} xref: CAS:49562-28-9 {source="NIST Chemistry WebBook"} xref: Chemspider:3222 xref: Drug_Central:1152 {source="DrugCentral"} xref: DrugBank:DB01039 xref: HMDB:HMDB0015173 xref: KEGG:C07586 xref: KEGG:D00565 xref: LINCS:LSM-3107 xref: Patent:DE2250327 xref: Patent:US4058552 xref: PMID:17449930 {source="Europe PMC"} xref: PMID:18212815 {source="Europe PMC"} xref: PMID:23603800 {source="Europe PMC"} xref: PMID:32675219 {source="Europe PMC"} xref: PMID:33704429 {source="Europe PMC"} xref: PMID:34244236 {source="Europe PMC"} xref: PMID:34515330 {source="Europe PMC"} xref: Reaxys:2062462 {source="Reaxys"} xref: Wikipedia:Fenofibrate is_a: CHEBI:23135 ! chlorobenzophenone is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:35725 ! isopropyl ester is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:41308 ! benzophenone relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35679 ! antilipemic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21ClO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMTINGFKWWXKFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.83100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.11284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:50025 name: beta-pinene namespace: chebi_ontology alt_id: CHEBI:10438 alt_id: CHEBI:22853 def: "An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants." [] subset: 3_STAR synonym: "2(10)-pinene" RELATED [ChemIDplus] synonym: "6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane" RELATED [NIST_Chemistry_WebBook] synonym: "6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Pinene" EXACT [KEGG_COMPOUND] synonym: "beta-pinene" EXACT [UniProt] synonym: "nopinene" RELATED [NIST_Chemistry_WebBook] synonym: "pin-2(10)-ene" EXACT IUPAC_NAME [IUPAC] synonym: "pseudopinene" RELATED [NIST_Chemistry_WebBook] xref: CAS:127-91-3 {source="ChemIDplus"} xref: CAS:127-91-3 {source="KEGG COMPOUND"} xref: CAS:127-91-3 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0036560 xref: KEGG:C09882 xref: KNApSAcK:C00000816 xref: LIPID_MAPS_instance:LMPR0102120018 {source="LIPID MAPS"} xref: MetaCyc:CPD-3221 xref: PMID:23472478 {source="Europe PMC"} xref: PMID:23513734 {source="Europe PMC"} xref: PMID:23738469 {source="Europe PMC"} xref: PMID:24555296 {source="Europe PMC"} xref: Reaxys:1362266 {source="Reaxys"} xref: Wikipedia:Beta-pinene is_a: CHEBI:17187 ! pinene relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTARULDDTDQWMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.23404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC(=C)C1C2" xsd:string [Term] id: CHEBI:50047 name: organic amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "organic amino compounds" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_parent_hydride CHEBI:16134 ! ammonia relationship: has_role CHEBI:39142 ! Bronsted base property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50075 name: dihydropyridine namespace: chebi_ontology subset: 3_STAR synonym: "dihydropyridine" EXACT [ChEBI] synonym: "dihydropyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines [Term] id: CHEBI:5008 name: Fenoxaprop ethyl namespace: chebi_ontology subset: 2_STAR synonym: "Fenoxaprop ethyl" EXACT [KEGG_COMPOUND] xref: CAS:66441-23-4 {source="KEGG COMPOUND"} xref: KEGG:C11024 xref: PPDB:302 is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16ClNO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PQKBPHSEKWERTG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "361.777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.07170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1" xsd:string [Term] id: CHEBI:50081 name: oxygen halide namespace: chebi_ontology subset: 3_STAR synonym: "oxygen halide" EXACT [ChEBI] synonym: "oxygen halides" RELATED [ChEBI] is_a: CHEBI:25806 ! oxygen molecular entity [Term] id: CHEBI:5009 name: fenoxycarb namespace: chebi_ontology def: "A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine." [] subset: 3_STAR synonym: "(2-(4-phenoxyphenoxy)ethyl)carbamic acid ethyl ester" RELATED [ChemIDplus] synonym: "ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate" RELATED [ChemIDplus] synonym: "ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Fenoxycarb" EXACT [KEGG_COMPOUND] synonym: "Insegar" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid" RELATED [ChemIDplus] synonym: "O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate" RELATED [ChEBI] xref: Beilstein:6932817 {source="Beilstein"} xref: CAS:72490-01-8 {source="ChemIDplus"} xref: CAS:72490-01-8 {source="KEGG COMPOUND"} xref: CAS:79127-80-3 {source="NIST Chemistry WebBook"} xref: KEGG:C11078 xref: Patent:CN103651557 xref: Patent:US4215135 xref: Pesticides:fenoxycarb {source="Alan Wood's Pesticides"} xref: PMID:19898762 {source="Europe PMC"} xref: PMID:2098484 {source="Europe PMC"} xref: PMID:2904969 {source="Europe PMC"} xref: PPDB:304 xref: Reaxys:6932817 {source="Reaxys"} xref: Wikipedia:Fenoxycarb is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:35618 ! aromatic ether relationship: has_functional_parent CHEBI:39264 ! 4-phenoxyphenol relationship: has_role CHEBI:24942 ! juvenile hormone mimic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HJUFTIJOISQSKQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "301.33710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "301.13141" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1" xsd:string [Term] id: CHEBI:50093 name: selenium coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "selenium coordination compounds" RELATED [ChEBI] synonym: "selenium coordination entities" RELATED [ChEBI] synonym: "selenium coordination entity" EXACT [ChEBI] is_a: CHEBI:26628 ! selenium molecular entity [Term] id: CHEBI:50094 name: sulfur coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "sulfur coordination compounds" RELATED [ChEBI] synonym: "sulfur coordination entities" RELATED [ChEBI] synonym: "sulfur coordination entity" EXACT [ChEBI] is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:50096 name: sulfinyl halide namespace: chebi_ontology subset: 3_STAR synonym: "sulfinyl halide" EXACT [ChEBI] synonym: "sulfinyl halides" RELATED [ChEBI] is_a: CHEBI:37578 ! halide is_a: CHEBI:37784 ! sulfinic acid derivative relationship: has_part CHEBI:29822 ! sulfinyl group [Term] id: CHEBI:50099 name: (4-chloro-2-methylphenoxy)acetic acid namespace: chebi_ontology def: "A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2." [] subset: 3_STAR synonym: "((4-chloro-o-tolyl)oxy)acetic acid" RELATED [ChemIDplus] synonym: "(2-Methyl-4-chlorophenoxy)acetic acid" RELATED [KEGG_COMPOUND] synonym: "(4-chloro-2-methylphenoxy)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-MCPA" RELATED [ChemIDplus] synonym: "2-Methyl-4-chlorophenoxyacetic acid" RELATED [ChemIDplus] synonym: "2-Methyl-4-chlorphenoxyessigsaeure" RELATED [ChemIDplus] synonym: "[(4-Chloro-o-tolyl)oxy]acetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Agroxone" RELATED BRAND_NAME [ChemIDplus] synonym: "MCP" RELATED [ChemIDplus] synonym: "MCPA" RELATED [ChemIDplus] xref: Beilstein:2051752 {source="Beilstein"} xref: CAS:94-74-6 {source="ChemIDplus"} xref: CAS:94-74-6 {source="NIST Chemistry WebBook"} xref: CAS:94-74-6 {source="KEGG COMPOUND"} xref: KEGG:C18528 xref: Patent:GB573479 xref: Patent:GB573510 xref: Patent:US274810 xref: Pesticides:mcpa {source="Alan Wood's Pesticides"} xref: PMID:15669026 {source="Europe PMC"} xref: PPDB:427 xref: Reaxys:2051752 {source="Reaxys"} xref: Wikipedia:MCPA is_a: CHEBI:23152 ! chlorophenoxyacetic acid is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHKUVVPPKQRRBV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.61866" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "200.02402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(Cl)ccc1OCC(O)=O" xsd:string [Term] id: CHEBI:50102 name: N-methyl-N-nitrosourea namespace: chebi_ontology alt_id: CHEBI:25565 alt_id: CHEBI:34843 alt_id: CHEBI:50101 def: "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups." [] subset: 3_STAR synonym: "1-(aminocarbonyl)-1-methyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "1-methyl-1-nitrosourea" EXACT IUPAC_NAME [IUPAC] synonym: "1-nitroso-1-methylurea" RELATED [ChemIDplus] synonym: "Methylnitrosoharnstoff" RELATED [ChEBI] synonym: "Methylnitrosourea" RELATED [KEGG_COMPOUND] synonym: "methylnitrosouree" RELATED [ChemIDplus] synonym: "MNU" RELATED [ChemIDplus] synonym: "N-methyl-N-nitrosocarbamide" RELATED [ChemIDplus] synonym: "N-Methyl-N-nitrosoharnstoff" RELATED [ChEBI] synonym: "N-Methyl-N-nitrosourea" EXACT [KEGG_COMPOUND] synonym: "N-methyl-N-nitrosouree" RELATED [ChEBI] synonym: "N-nitroso-N-methylcarbamide" RELATED [NIST_Chemistry_WebBook] synonym: "N-Nitroso-N-methylharnstoff" RELATED [ChEBI] synonym: "N-nitroso-N-methylurea" RELATED [ChemIDplus] synonym: "N-nitroso-N-methyluree" RELATED [ChEBI] synonym: "N-nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "NMH" RELATED [ChemIDplus] synonym: "NMU" RELATED [ChemIDplus] xref: Beilstein:1756040 {source="Beilstein"} xref: CAS:684-93-5 {source="KEGG COMPOUND"} xref: CAS:684-93-5 {source="NIST Chemistry WebBook"} xref: CAS:684-93-5 {source="ChemIDplus"} xref: KEGG:C14595 xref: PMID:11479921 {source="Europe PMC"} xref: PMID:12767522 {source="Europe PMC"} xref: PMID:15990165 {source="Europe PMC"} xref: PMID:19181008 {source="Europe PMC"} xref: PMID:24441676 {source="Europe PMC"} xref: PMID:6243984 {source="Europe PMC"} xref: PMID:8098217 {source="Europe PMC"} xref: PMID:8603364 {source="Europe PMC"} xref: Wikipedia:N-Methyl-N-nitrosourea is_a: CHEBI:76551 ! N-nitrosoureas relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50905 ! teratogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRKWMRDKSOPRRS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.08012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.03818" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(N=O)C(N)=O" xsd:string [Term] id: CHEBI:50103 name: excitatory amino acid agonist namespace: chebi_ontology def: "An agent that binds to and activates excitatory amino acid receptors." [] subset: 3_STAR synonym: "excitatory amino acid agonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:50112 name: sex hormone namespace: chebi_ontology def: "Any hormone that is responsible for controlling sexual characteristics and reproductive function." [] subset: 3_STAR synonym: "Geschlechtshormon" RELATED [ChEBI] synonym: "Geschlechtshormone" RELATED [ChEBI] synonym: "hormone sexuelle" RELATED [ChEBI] synonym: "hormones sexuelles" RELATED [ChEBI] synonym: "sex hormones" RELATED [ChEBI] synonym: "Sexualhormon" RELATED [ChEBI] synonym: "Sexualhormone" RELATED [ChEBI] is_a: CHEBI:24621 ! hormone [Term] id: CHEBI:50113 name: androgen namespace: chebi_ontology def: "A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors." [] subset: 3_STAR synonym: "Androgen" EXACT [ChEBI] synonym: "Androgene" RELATED [ChEBI] synonym: "androgene" RELATED [ChEBI] synonym: "androgenes" RELATED [ChEBI] synonym: "androgeno" RELATED [ChEBI] synonym: "androgenos" RELATED [ChEBI] synonym: "androgens" RELATED [ChEBI] is_a: CHEBI:50112 ! sex hormone [Term] id: CHEBI:50114 name: estrogen namespace: chebi_ontology def: "A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens." [] subset: 3_STAR synonym: "Estrogene" RELATED [ChEBI] synonym: "estrogene" RELATED [ChEBI] synonym: "estrogenes" RELATED [ChEBI] synonym: "estrogenes Hormon" RELATED [ChEBI] synonym: "estrogeno" RELATED [ChEBI] synonym: "estrogenos" RELATED [ChEBI] synonym: "estrogens" RELATED [ChEBI] synonym: "Oestrogen" RELATED [ChEBI] synonym: "oestrogen" RELATED [ChEBI] synonym: "Oestrogene" RELATED [ChEBI] synonym: "oestrogene" RELATED [ChEBI] synonym: "oestrogenes" RELATED [ChEBI] synonym: "oestrogens" RELATED [ChEBI] xref: Wikipedia:Estrogen is_a: CHEBI:50112 ! sex hormone [Term] id: CHEBI:50127 name: trifluoromethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CF3" RELATED [IUPAC] synonym: "trifluoromethyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50491 ! haloalkyl group relationship: is_substituent_group_from CHEBI:38825 ! tetrafluoromethane relationship: is_substituent_group_from CHEBI:41550 ! fluoroform property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CF3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.00591" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "68.99521" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(F)(*)(F)F" xsd:string [Term] id: CHEBI:50137 name: mu-opioid receptor antagonist namespace: chebi_ontology def: "Any compound that exhibits antagonist activity at the mu-opioid receptor" [] subset: 3_STAR synonym: "mu-opioid antagonist" RELATED [ChEBI] synonym: "mu-opioid antagonists" RELATED [ChEBI] synonym: "mu-opioid receptor antagonists" RELATED [ChEBI] is_a: CHEBI:60599 ! mu-opioid agent is_a: CHEBI:60605 ! opioid receptor antagonist [Term] id: CHEBI:50139 name: heptan-3-one namespace: chebi_ontology def: "A dialkyl ketone with butyl and ethyl as the two alkyl groups." [] subset: 3_STAR synonym: "3-Heptanone" RELATED [ChemIDplus] synonym: "Aethylbutylketon" RELATED [ChemIDplus] synonym: "Butyl ethyl ketone" RELATED [ChemIDplus] synonym: "Ethyl n-butyl ketone" RELATED [ChemIDplus] synonym: "Ethyl-n-butyl ketone" RELATED [ChemIDplus] synonym: "Ethylbutylcetone" RELATED [ChemIDplus] synonym: "heptan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "n-Butyl ethyl ketone" RELATED [ChemIDplus] xref: Beilstein:506161 {source="Beilstein"} xref: CAS:106-35-4 {source="ChemIDplus"} xref: CAS:106-35-4 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0031482 xref: PMID:22284503 {source="Europe PMC"} xref: PMID:23870484 {source="Europe PMC"} xref: Reaxys:506161 {source="Reaxys"} xref: Wikipedia:3-Heptanone is_a: CHEBI:18044 ! dialkyl ketone relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:59163 ! biomarker property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGAZZOYFWWSOGK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.18546" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(=O)CC" xsd:string [Term] id: CHEBI:5014 name: fenvalerate namespace: chebi_ontology def: "A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol." [] subset: 3_STAR synonym: "alpha-cyano-(3-phenoxyphenyl)methyl-4-chloro-alpha-(1-methylethyl)benzeneacetate" RELATED [ChemIDplus] synonym: "alpha-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate" RELATED [ChEBI] synonym: "alpha-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrate" RELATED [ChEBI] synonym: "cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "Fenvalerate" EXACT [KEGG_COMPOUND] synonym: "phenvalerate" RELATED [ChEBI] synonym: "Pydrin" RELATED [KEGG_COMPOUND] xref: Beilstein:2025982 {source="Beilstein"} xref: CAS:51630-58-1 {source="ChemIDplus"} xref: CAS:51630-58-1 {source="KEGG COMPOUND"} xref: KEGG:C10988 xref: KEGG:D07952 xref: PPDB:314 xref: Reaxys:2025982 {source="Reaxys"} xref: VSDB:314 is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:39345 ! 2-(4-chlorophenyl)-3-methylbutyric acid relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H22ClNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NYPJDWWKZLNGGM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "419.89982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "419.12882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:50141 name: bronchoconstrictor agent namespace: chebi_ontology def: "A drug which causes a narrowing of the lumen of a bronchus or bronchiole." [] subset: 3_STAR synonym: "bronchoconstrictor agents" RELATED [ChEBI] synonym: "bronchoconstrictor drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50145 name: fenpropimorph namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-fenpropimorph. It is a systemic fungicide, used to control a variety of fungal diseases in cereal crops." [] subset: 3_STAR synonym: "(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine" RELATED [ChemIDplus] synonym: "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" EXACT IUPAC_NAME [IUPAC] synonym: "BAS 42100F" RELATED [ChemIDplus] synonym: "BAS 421F" RELATED [ChemIDplus] synonym: "cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine" RELATED [ChemIDplus] synonym: "cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine" RELATED [ChemIDplus] synonym: "cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine" RELATED [ChemIDplus] synonym: "fenpropimorph" EXACT [ChemIDplus] synonym: "fenpropimorph cis-form" RELATED [ChemIDplus] synonym: "fenpropimorphe" RELATED [ChemIDplus] synonym: "Forbel 750" RELATED BRAND_NAME [ChemIDplus] synonym: "Funbas" RELATED BRAND_NAME [ChemIDplus] synonym: "Mildofix" RELATED BRAND_NAME [ChemIDplus] synonym: "Mistral" RELATED BRAND_NAME [ChemIDplus] synonym: "Ro 14-3169/000" RELATED [ChemIDplus] xref: Beilstein:884767 {source="Beilstein"} xref: CAS:67564-91-4 {source="ChemIDplus"} xref: CAS:67564-91-4 {source="KEGG COMPOUND"} xref: KEGG:C18787 xref: Patent:EP0645458 xref: Pesticides:fenpropimorph {source="Alan Wood's Pesticides"} xref: PMID:1929324 {source="Europe PMC"} xref: PMID:21085999 {source="Europe PMC"} xref: PMID:22015243 {source="Europe PMC"} xref: PMID:3223956 {source="Europe PMC"} xref: PMID:3771458 {source="Europe PMC"} xref: PMID:8067730 {source="Europe PMC"} xref: Reaxys:8703752 {source="Reaxys"} xref: Reaxys:884767 {source="Reaxys"} xref: Wikipedia:Fenpropimorph is_a: CHEBI:60911 ! racemate is_a: CHEBI:87134 ! morpholine fungicide relationship: has_part CHEBI:50146 ! (S)-fenpropimorph relationship: has_part CHEBI:50147 ! (R)-fenpropimorph relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:83317 ! sterol biosynthesis inhibitor relationship: has_role CHEBI:83319 ! EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H33NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.48210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.25621" xsd:string [Term] id: CHEBI:50146 name: (S)-fenpropimorph namespace: chebi_ontology def: "A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has S configuration." [] subset: 3_STAR synonym: "(2R,6S)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-fenpropimorph" RELATED [ChEBI] synonym: "(S)-cis-fenpropimorph" RELATED [ChEBI] xref: Beilstein:5340026 {source="Beilstein"} xref: Reaxys:5340026 {source="Reaxys"} is_a: CHEBI:50148 ! 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine relationship: is_enantiomer_of CHEBI:50147 ! (R)-fenpropimorph property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H33NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYAUSSKQMZRMAI-YESZJQIVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.48210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.25621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:50147 name: (R)-fenpropimorph namespace: chebi_ontology def: "A 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in which the methyl substituents on the morpholine ring are in a cis relationship to each other and in which the remaining stereocentre has R configuration." [] subset: 3_STAR synonym: "(2R,6S)-4-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-cis-fenpropimorph" RELATED [ChEBI] xref: Beilstein:8152974 {source="Beilstein"} is_a: CHEBI:50148 ! 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine relationship: is_enantiomer_of CHEBI:50146 ! (S)-fenpropimorph property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H33NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYAUSSKQMZRMAI-ZACQAIPSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.48210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.25621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:50148 name: 4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine namespace: chebi_ontology def: "A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a 3-(p-tert-butylphenyl)-2-methylpropyl group." [] subset: 3_STAR synonym: "4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine" EXACT IUPAC_NAME [IUPAC] synonym: "4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:884766 {source="Beilstein"} xref: CAS:67306-03-0 {source="ChemIDplus"} xref: CAS:67306-03-0 {source="NIST Chemistry WebBook"} xref: Patent:DE2656747 is_a: CHEBI:38785 ! morpholines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H33NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYAUSSKQMZRMAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.48210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.25621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CN1CC(C)OC(C)C1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:5015 name: ferbam namespace: chebi_ontology def: "A dithiocarbamate salt that is the iron(III) salt of dimethyldithiocarbamic acid. Formerly used as a fungicide." [] subset: 3_STAR synonym: "Carbamate" RELATED BRAND_NAME [ChEBI] synonym: "Cormate" RELATED BRAND_NAME [ChemIDplus] synonym: "Eisendimethyldithiocarbamat" RELATED [ChemIDplus] synonym: "Ferbeck" RELATED BRAND_NAME [ChEBI] synonym: "Fermacide" RELATED BRAND_NAME [ChemIDplus] synonym: "Fermate" RELATED BRAND_NAME [ChemIDplus] synonym: "Ferradow" RELATED BRAND_NAME [ChemIDplus] synonym: "Ferric dimethyldithiocarbamate" RELATED [KEGG_COMPOUND] synonym: "Fuklasin" RELATED BRAND_NAME [ChemIDplus] synonym: "Hexaferb" RELATED BRAND_NAME [ChemIDplus] synonym: "Hokmate" RELATED BRAND_NAME [ChemIDplus] synonym: "iron(3+) dimethyldithiocarbamate" RELATED [ChEBI] synonym: "iron(3+) tris(dimethylcarbamodithioate)" EXACT IUPAC_NAME [IUPAC] synonym: "iron(III) dimethyldithiocarbamate" RELATED [ChEBI] synonym: "Karbam Black" RELATED BRAND_NAME [ChemIDplus] synonym: "Trifungol" RELATED BRAND_NAME [ChemIDplus] synonym: "Trimanzone" RELATED BRAND_NAME [ChemIDplus] synonym: "tris(N,N-dimethyldithiocarbamato)iron(III)" RELATED [ChemIDplus] xref: CAS:14484-64-1 {source="KEGG COMPOUND"} xref: CAS:14484-64-1 {source="NIST Chemistry WebBook"} xref: CAS:14484-64-1 {source="ChemIDplus"} xref: KEGG:C11223 xref: Patent:US1972961 xref: Pesticides:ferbam {source="Alan Wood's Pesticides"} xref: PMID:10536858 {source="Europe PMC"} xref: PMID:1237951 {source="Europe PMC"} xref: PMID:12395406 {source="Europe PMC"} xref: PMID:1258062 {source="Europe PMC"} xref: PMID:1270688 {source="Europe PMC"} xref: PMID:13022424 {source="Europe PMC"} xref: PMID:13368055 {source="Europe PMC"} xref: PMID:18966732 {source="Europe PMC"} xref: Reaxys:13243337 {source="Reaxys"} xref: Reaxys:3706105 {source="Reaxys"} is_a: CHEBI:33892 ! iron coordination entity is_a: CHEBI:83060 ! dithiocarbamate salt relationship: has_functional_parent CHEBI:83061 ! dimethyldithiocarbamic acid relationship: has_part CHEBI:29034 ! iron(3+) relationship: has_part CHEBI:84293 ! dimethyldithiocarbamate relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18FeN3S6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "416.49400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "415.91744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C" xsd:string [Term] id: CHEBI:50160 name: steroid acid anion namespace: chebi_ontology def: "Any anion formed by loss of a proton from a steroid acid." [] subset: 3_STAR synonym: "steroid acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:47891 ! steroid acid [Term] id: CHEBI:50176 name: keratolytic drug namespace: chebi_ontology def: "A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases." [] subset: 3_STAR synonym: "desquamating agent" RELATED [ChEBI] synonym: "keratolytic agent" RELATED [ChEBI] synonym: "keratolytic drugs" RELATED [ChEBI] synonym: "skin-peeling agent" RELATED [ChEBI] is_a: CHEBI:50177 ! dermatologic drug [Term] id: CHEBI:50177 name: dermatologic drug namespace: chebi_ontology def: "A drug used to treat or prevent skin disorders or for the routine care of skin." [] subset: 3_STAR synonym: "dermatologic agent" RELATED [ChEBI] synonym: "dermatologic drugs" RELATED [ChEBI] synonym: "dermatological agent" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50183 name: P450 inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances." [] subset: 3_STAR synonym: "CYP2D6 inhibitor" RELATED [ChEBI] synonym: "CYP2D6 inhibitors" RELATED [ChEBI] synonym: "cytochrome P450 inhibitor" RELATED [ChEBI] synonym: "cytochrome P450 inhibitors" RELATED [ChEBI] synonym: "P450 inhibitors" RELATED [ChEBI] is_a: CHEBI:76898 ! EC 1.14.14.1 (unspecific monooxygenase) inhibitor [Term] id: CHEBI:50188 name: provitamin namespace: chebi_ontology def: "A substance that can be converted into a vitamin by animal tissues." [] subset: 3_STAR synonym: "provitamins" RELATED [ChEBI] xref: Wikipedia:Provitamin is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50202 name: naringenin namespace: chebi_ontology def: "A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'." [] subset: 3_STAR synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT [] xref: Beilstein:280888 xref: LINCS:LSM-1927 xref: MetaCyc:Naringenin is_a: CHEBI:24697 ! hydroxyflavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FTVWIRXFELQLPI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.25278" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:50211 name: retinol namespace: chebi_ontology alt_id: CHEBI:15037 alt_id: CHEBI:26538 def: "A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified)." [] subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "retinol" EXACT [UniProt] xref: LINCS:LSM-5317 xref: MetaCyc:Retinols is_a: CHEBI:134394 ! primary allylic alcohol is_a: CHEBI:26537 ! retinoid relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H30O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPIPGXGPPPQFEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.45160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.22967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO" xsd:string [Term] id: CHEBI:50218 name: EC 3.1.4.* (phosphoric diester hydrolase) inhibitor namespace: chebi_ontology alt_id: CHEBI:76774 def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*)." [] subset: 3_STAR synonym: "EC 3.1.4.* (phosphoric diester hydrolase) inhibitors" RELATED [ChEBI] synonym: "phosphodiesterase inhibitor" RELATED [ChEBI] synonym: "phosphodiesterase inhibitors" RELATED [ChEBI] synonym: "phosphoric diester hydrolase (EC 3.1.4.*) inhibitor" RELATED [ChEBI] synonym: "phosphoric diester hydrolase (EC 3.1.4.*) inhibitors" RELATED [ChEBI] synonym: "phosphoric diester hydrolase inhibitor" RELATED [ChEBI] synonym: "phosphoric diester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:50247 name: antidote namespace: chebi_ontology def: "Any protective agent counteracting or neutralizing the action of poisons." [] subset: 3_STAR synonym: "antidotes" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:50248 name: hematologic agent namespace: chebi_ontology def: "Drug that acts on blood and blood-forming organs and those that affect the hemostatic system." [] subset: 3_STAR synonym: "hematologic agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50249 name: anticoagulant namespace: chebi_ontology def: "An agent that prevents blood clotting." [] subset: 3_STAR synonym: "anticoagulante" RELATED [ChEBI] synonym: "anticoagulants" RELATED [ChEBI] is_a: CHEBI:50248 ! hematologic agent [Term] id: CHEBI:50264 name: thiazide namespace: chebi_ontology def: "Heterocyclic compound with sulfur and nitrogen in the ring." [] subset: 3_STAR synonym: "Thiazides" RELATED [ChEBI] synonym: "tiazidas" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38106 ! organosulfur heterocyclic compound [Term] id: CHEBI:50265 name: benzothiadiazine namespace: chebi_ontology def: "Heterocyclic compound of a ring with sulfur and two nitrogen atoms fused to a benzene ring. Members inhibit sodium-potassium-chloride symporters and are used as diuretics." [] subset: 3_STAR synonym: "Benzothiadiazines" RELATED [ChEBI] synonym: "benzothiadiazines" RELATED [ChEBI] is_a: CHEBI:50264 ! thiazide [Term] id: CHEBI:50266 name: prodrug namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug." [] subset: 3_STAR synonym: "Prodrugs" RELATED [ChEBI] xref: PMID:23993918 {source="Europe PMC"} xref: PMID:23998799 {source="Europe PMC"} xref: PMID:24329110 {source="Europe PMC"} xref: PMID:24628402 {source="Europe PMC"} xref: PMID:24709544 {source="Europe PMC"} xref: PMID:25144792 {source="Europe PMC"} xref: PMID:25157234 {source="Europe PMC"} xref: PMID:25269430 {source="Europe PMC"} xref: PMID:25391982 {source="Europe PMC"} xref: PMID:25591121 {source="Europe PMC"} xref: PMID:25620096 {source="Europe PMC"} xref: PMID:25795057 {source="Europe PMC"} xref: PMID:26028253 {source="Europe PMC"} xref: PMID:26184144 {source="Europe PMC"} xref: PMID:28070577 {source="Europe PMC"} xref: PMID:28215138 {source="Europe PMC"} xref: PMID:28219047 {source="Europe PMC"} xref: PMID:28259775 {source="Europe PMC"} xref: PMID:28319647 {source="Europe PMC"} xref: PMID:28329729 {source="Europe PMC"} xref: PMID:28334528 {source="Europe PMC"} xref: Wikipedia:Prodrug is_a: CHEBI:136859 ! pro-agent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50267 name: protective agent namespace: chebi_ontology def: "Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent." [] subset: 3_STAR synonym: "chemoprotectant" RELATED [ChEBI] synonym: "chemoprotectants" RELATED [ChEBI] synonym: "chemoprotective agent" RELATED [ChEBI] synonym: "chemoprotective agents" RELATED [ChEBI] synonym: "protective agents" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50268 name: GABA modulator namespace: chebi_ontology def: "A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act." [] subset: 3_STAR synonym: "GABA modulators" RELATED [ChEBI] is_a: CHEBI:38632 ! membrane transport modulator is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:50276 name: EC 5.99.1.2 (DNA topoisomerase) inhibitor namespace: chebi_ontology def: "A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA." [] subset: 3_STAR synonym: "DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 (DNA topoisomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 (topoisomerase I) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.2 (topoisomerase I) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.2 inhibitors" RELATED [ChEBI] synonym: "topoisomerase I (EC 5.99.1.2) inhibitor" RELATED [ChEBI] synonym: "topoisomerase I (EC 5.99.1.2) inhibitors" RELATED [ChEBI] synonym: "topoisomerase I inhibitor" RELATED [ChEBI] synonym: "topoisomerase I inhibitors" RELATED [ChEBI] synonym: "type I DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "type I DNA topoisomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:50297 name: canonical nucleotide residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical nucleotide residues" RELATED [ChEBI] is_a: CHEBI:50319 ! nucleotide residue [Term] id: CHEBI:50298 name: canonical deoxyribonucleotide residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical deoxyribonucleotide residues" RELATED [ChEBI] is_a: CHEBI:50297 ! canonical nucleotide residue [Term] id: CHEBI:50299 name: canonical ribonucleotide residue namespace: chebi_ontology subset: 3_STAR synonym: "canonical ribonucleotide residues" RELATED [ChEBI] is_a: CHEBI:50297 ! canonical nucleotide residue [Term] id: CHEBI:50305 name: podophyllotoxin namespace: chebi_ontology alt_id: CHEBI:45070 alt_id: CHEBI:8280 def: "An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts." [] subset: 3_STAR synonym: "(-)-podophyllotoxin" RELATED [ChEBI] synonym: "(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one" EXACT IUPAC_NAME [IUPAC] synonym: "9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE" RELATED [PDBeChem] synonym: "Condylox" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Podofilox" RELATED [ChemIDplus] synonym: "Podophyllinic acid lactone" RELATED [ChemIDplus] synonym: "Podophyllotoxin" EXACT [KEGG_COMPOUND] synonym: "Podophyllotoxin 7" RELATED BRAND_NAME [DrugBank] synonym: "PPT" RELATED [ChEBI] xref: CAS:518-28-5 {source="KEGG COMPOUND"} xref: CAS:518-28-5 {source="ChemIDplus"} xref: Drug_Central:3481 {source="DrugCentral"} xref: DrugBank:DB01179 xref: HMDB:HMDB0031452 xref: KEGG:C10874 xref: KEGG:D05529 xref: KNApSAcK:C00000610 xref: LINCS:LSM-3055 xref: PDBeChem:POD xref: PMID:15803102 {source="Europe PMC"} xref: PMID:22621772 {source="Europe PMC"} xref: PMID:23161544 {source="Europe PMC"} xref: PMID:23798883 {source="Europe PMC"} xref: PMID:8112825 {source="Europe PMC"} xref: Reaxys:99163 {source="Reaxys"} xref: Wikipedia:Podophyllotoxin is_a: CHEBI:25036 ! lignan is_a: CHEBI:50307 ! furonaphthodioxole relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:61951 ! microtubule-destabilising agent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H22O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YJGVMLPVUAXIQN-XVVDYKMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.40530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.13147" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O" xsd:string [Term] id: CHEBI:50307 name: furonaphthodioxole namespace: chebi_ontology subset: 3_STAR synonym: "furonaphthodioxole" EXACT [ChEBI] synonym: "furonaphthodioxoles" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:38163 ! organic heterotetracyclic compound [Term] id: CHEBI:50312 name: onium compound namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] id: CHEBI:50313 name: onium cation namespace: chebi_ontology def: "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families." [] subset: 3_STAR synonym: "onium cations" EXACT IUPAC_NAME [IUPAC] synonym: "onium cations" RELATED [ChEBI] synonym: "onium ion" RELATED [ChEBI] synonym: "onium ions" RELATED [ChEBI] is_a: CHEBI:50312 ! onium compound [Term] id: CHEBI:50314 name: fluoronium namespace: chebi_ontology subset: 3_STAR synonym: "[FH2](+)" RELATED [ChEBI] synonym: "fluoranium" EXACT IUPAC_NAME [IUPAC] synonym: "fluoronium" EXACT IUPAC_NAME [IUPAC] synonym: "H2F(+)" RELATED [IUPAC] is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:29228 ! hydrogen fluoride property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH2/h1H2/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNESUKSMQODWNS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "21.01428" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "21.01350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][F+][H]" xsd:string [Term] id: CHEBI:50315 name: chloronium namespace: chebi_ontology subset: 3_STAR synonym: "[ClH2](+)" RELATED [IUPAC] synonym: "chloranium" EXACT IUPAC_NAME [IUPAC] synonym: "chloronium" EXACT IUPAC_NAME [IUPAC] synonym: "H2Cl(+)" RELATED [IUPAC] xref: Gmelin:331 {source="Gmelin"} is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:17883 ! hydrogen chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH2/h1H2/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGJWHVUMEJASKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "37.46858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "36.98395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Cl+][H]" xsd:string [Term] id: CHEBI:50316 name: bromonium namespace: chebi_ontology subset: 3_STAR synonym: "[BrH2](+)" RELATED [ChEBI] synonym: "bromanium" EXACT IUPAC_NAME [IUPAC] synonym: "bromonium" EXACT IUPAC_NAME [IUPAC] synonym: "H2Br(+)" RELATED [IUPAC] xref: Gmelin:719134 {source="Gmelin"} is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:47266 ! hydrogen bromide property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BrH2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH2/h1H2/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IWNNBBVLEFUBNE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.91988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.93344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Br+][H]" xsd:string [Term] id: CHEBI:50319 name: nucleotide residue namespace: chebi_ontology subset: 3_STAR synonym: "nucleotide residues" RELATED [ChEBI] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:50320 name: nucleoside residue namespace: chebi_ontology subset: 3_STAR synonym: "nucleoside residues" RELATED [ChEBI] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:50325 name: proteinogenic amino-acid side-chain group namespace: chebi_ontology def: "A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid." [] subset: 3_STAR synonym: "canonical amino-acid side-chain" RELATED [ChEBI] synonym: "canonical amino-acid side-chains" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chain groups" RELATED [ChEBI] synonym: "proteinogenic amino-acid side-chains" RELATED [ChEBI] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:50326 name: sulfanylmethyl group namespace: chebi_ontology subset: 3_STAR synonym: "-CH2-SH" RELATED [IUPAC] synonym: "cysteine side-chain" RELATED [ChEBI] synonym: "HS-CH2-" RELATED [IUPAC] synonym: "sulfanylmethyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.10052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.99555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC*" xsd:string [Term] id: CHEBI:50329 name: 2-carboxyethyl group namespace: chebi_ontology subset: 3_STAR synonym: "2-carboxyethyl" EXACT IUPAC_NAME [IUPAC] synonym: "glutamic acid side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CC(=O)O)*" xsd:string [Term] id: CHEBI:50331 name: 3-amino-3-oxopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "3-amino-3-oxopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "glutamine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.08588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.04494" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CC(=O)N)*" xsd:string [Term] id: CHEBI:50335 name: organic nitrogen anion namespace: chebi_ontology subset: 3_STAR synonym: "organic nitrogen anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35352 ! organonitrogen compound [Term] id: CHEBI:50336 name: 4-hydroxybenzyl group namespace: chebi_ontology subset: 3_STAR synonym: "4-hydroxybenzyl" EXACT IUPAC_NAME [IUPAC] synonym: "tyrosine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.12988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.04969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C*)C=CC(=C1)O" xsd:string [Term] id: CHEBI:50338 name: 1H-imidazol-4-ylmethyl group namespace: chebi_ontology subset: 3_STAR synonym: "1H-imidazol-4-ylmethyl" EXACT IUPAC_NAME [IUPAC] synonym: "histidine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "81.09598" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.04527" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*CC=1N=CNC1" xsd:string [Term] id: CHEBI:50339 name: 4-aminobutyl group namespace: chebi_ontology subset: 3_STAR synonym: "4-aminobutyl" EXACT IUPAC_NAME [IUPAC] synonym: "lysine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:43799 ! butan-1-amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.12894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.08132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC*" xsd:string [Term] id: CHEBI:50340 name: 3-carbamimidamidopropyl group namespace: chebi_ontology subset: 3_STAR synonym: "3-(carbamimidoylamino)propyl" RELATED [IUPAC] synonym: "3-carbamimidamidopropyl" EXACT IUPAC_NAME [IUPAC] synonym: "3-guanidinopropyl" RELATED [ChEBI] synonym: "arginine side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.14242" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.08747" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NCCC*" xsd:string [Term] id: CHEBI:50344 name: avermectin namespace: chebi_ontology def: "Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties." [] subset: 3_STAR synonym: "avermectin" EXACT [ChEBI] synonym: "avermectins" RELATED [ChEBI] xref: PMID:22039784 {source="Europe PMC"} xref: PMID:22039799 {source="Europe PMC"} xref: PMID:22542398 {source="Europe PMC"} xref: PMID:23165468 {source="Europe PMC"} xref: PMID:8688633 {source="Europe PMC"} xref: Wikipedia:Avermectin is_a: CHEBI:25106 ! macrolide is_a: CHEBI:59779 ! cyclic ketal relationship: has_role CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:50351 name: cyclopropanecarboxylate ester namespace: chebi_ontology def: "A carboxylic ester resulting from the formal condensation of the hydroxy group of an alcohol or phenol with the carboxy group of cyclopropanecarboxylic acid or its substituted derivatives." [] subset: 3_STAR synonym: "cyclopropanecarboxylate ester" EXACT [ChEBI] synonym: "cyclopropanecarboxylate esters" RELATED [ChEBI] synonym: "cyclopropanecarboxylic ester" RELATED [ChEBI] synonym: "cyclopropanecarboxylic esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:51454 ! cyclopropanes relationship: has_functional_parent CHEBI:23500 ! cyclopropanecarboxylic acid [Term] id: CHEBI:50358 name: pantoprazole(1-) namespace: chebi_ontology subset: 3_STAR synonym: "5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5363425 {source="Beilstein"} is_a: CHEBI:22715 ! benzimidazoles relationship: is_conjugate_base_of CHEBI:7915 ! pantoprazole property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14F2N3O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEYBXKVTQOEUTP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "382.36299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "382.06786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC" xsd:string [Term] id: CHEBI:50366 name: 6-methylprednisolone namespace: chebi_ontology subset: 3_STAR synonym: "(11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione" RELATED [ChEBI] synonym: "11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:7113955 {source="Beilstein"} is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid relationship: has_functional_parent CHEBI:8378 ! prednisolone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H30O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHRSUDSXCMQTMA-UWKORSIYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "374.47060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "374.20932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12" xsd:string [Term] id: CHEBI:50367 name: taxane diterpenoid namespace: chebi_ontology subset: 3_STAR synonym: "taxane diterpenoid" EXACT [ChEBI] synonym: "taxane diterpenoids" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid relationship: has_parent_hydride CHEBI:36064 ! taxane [Term] id: CHEBI:50370 name: parasympatholytic namespace: chebi_ontology def: "Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists." [] subset: 3_STAR synonym: "parasympatholytics" RELATED [ChEBI] is_a: CHEBI:48873 ! cholinergic antagonist [Term] id: CHEBI:50390 name: EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor namespace: chebi_ontology def: "An EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor that interferes with the action of NAD(P)H dehydrogenase (quinone), EC 1.6.5.2." [] subset: 3_STAR synonym: "dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitor" RELATED [ChEBI] synonym: "dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate, quinone) inhibitors" RELATED [ChEBI] synonym: "diaphorase inhibitor" RELATED [ChEBI] synonym: "diaphorase inhibitors" RELATED [ChEBI] synonym: "DT diaphorase inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.2 (NAD(P)H dehydrogenase (quinone)) inhibitors" RELATED [ChEBI] synonym: "EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitors" RELATED [ChEBI] synonym: "EC 1.6.5.2 inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.2 inhibitors" RELATED [ChEBI] synonym: "flavoprotein NAD(P)H-quinone reductase inhibitor" RELATED [ChEBI] synonym: "flavoprotein NAD(P)H-quinone reductase inhibitors" RELATED [ChEBI] synonym: "menadione oxidoreductase inhibitor" RELATED [ChEBI] synonym: "menadione oxidoreductase inhibitors" RELATED [ChEBI] synonym: "menadione reductase inhibitor" RELATED [ChEBI] synonym: "menadione reductase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitor" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase (quinone) (EC 1.6.5.2) inhibitors" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase (quinone) inhibitor" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase (quinone) inhibitors" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H menadione reductase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H menadione reductase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H-quinone dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H-quinone dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H-quinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H-quinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H2 dehydrogenase (quinone) inhibitor" RELATED [ChEBI] synonym: "NAD(P)H2 dehydrogenase (quinone) inhibitors" RELATED [ChEBI] synonym: "NAD(P)H: menadione oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H: menadione oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:(quinone-acceptor)oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:(quinone-acceptor)oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADH-menadione reductase inhibitor" RELATED [ChEBI] synonym: "NADH-menadione reductase inhibitors" RELATED [ChEBI] synonym: "naphthoquinone reductase inhibitor" RELATED [ChEBI] synonym: "naphthoquinone reductase inhibitors" RELATED [ChEBI] synonym: "NQO1 inhibitor" RELATED [ChEBI] synonym: "NQO1 inhibitors" RELATED [ChEBI] synonym: "p-benzoquinone reductase inhibitor" RELATED [ChEBI] synonym: "p-benzoquinone reductase inhibitors" RELATED [ChEBI] synonym: "phylloquinone reductase inhibitor" RELATED [ChEBI] synonym: "phylloquinone reductase inhibitors" RELATED [ChEBI] synonym: "QR1 inhibitor" RELATED [ChEBI] synonym: "QR1 inhibitors" RELATED [ChEBI] synonym: "quinone reductase inhibitor" RELATED [ChEBI] synonym: "quinone reductase inhibitors" RELATED [ChEBI] synonym: "reduced NAD(P)H dehydrogenase inhibitor" RELATED [ChEBI] synonym: "reduced NAD(P)H dehydrogenase inhibitors" RELATED [ChEBI] synonym: "reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitor" RELATED [ChEBI] synonym: "reduced nicotinamide-adenine dinucleotide (phosphate) dehydrogenase inhibitors" RELATED [ChEBI] synonym: "viologen accepting pyridine nucleotide oxidoreductase inhibitor" RELATED [ChEBI] synonym: "viologen accepting pyridine nucleotide oxidoreductase inhibitors" RELATED [ChEBI] synonym: "vitamin K reductase inhibitor" RELATED [ChEBI] synonym: "vitamin K reductase inhibitors" RELATED [ChEBI] synonym: "vitamin-K reductase inhibitor" RELATED [ChEBI] synonym: "vitamin-K reductase inhibitors" RELATED [ChEBI] is_a: CHEBI:76866 ! EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor [Term] id: CHEBI:50393 name: warfarin(1-) namespace: chebi_ontology def: "A racemate comprising equal amounts of (R)- and (S)-warfarin(1-)." [] subset: 3_STAR synonym: "2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:87743 ! (R)-warfarin(1-) relationship: has_part CHEBI:87744 ! (S)-warfarin(1-) relationship: is_conjugate_base_of CHEBI:10033 ! warfarin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H15O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.09703" xsd:string [Term] id: CHEBI:50401 name: cholestanoid namespace: chebi_ontology def: "Any steroid based on a cholestane skeleton and its derivatives." [] subset: 3_STAR synonym: "cholestanoids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35516 ! cholestane [Term] id: CHEBI:50402 name: androstanoid namespace: chebi_ontology def: "Any steroid based on an androstane skeleton and its derivatives." [] subset: 3_STAR synonym: "androstanoids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid relationship: has_parent_hydride CHEBI:35509 ! androstane [Term] id: CHEBI:50404 name: lipoprotein cholesterol namespace: chebi_ontology def: "Cholesterol esters and free cholesterol which are contained in or bound to lipoproteins." [] subset: 3_STAR is_a: CHEBI:50401 ! cholestanoid [Term] id: CHEBI:50406 name: probe namespace: chebi_ontology def: "A role played by a molecular entity used to study the microscopic environment." [] subset: 3_STAR is_a: CHEBI:33232 ! application [Term] id: CHEBI:50407 name: acid-base indicator namespace: chebi_ontology def: "An acid or base which exhibits a colour change on neutralization by the basic or acidic titrant at or near the equivalence point of a titration." [] subset: 3_STAR synonym: "acid-base indicator" EXACT IUPAC_NAME [IUPAC] synonym: "indicador acido-base" RELATED [IUPAC] synonym: "indicateur acide-base" RELATED [IUPAC] synonym: "Saeure-Base-Indikator" RELATED [ChEBI] synonym: "Saeure-Base-Indikatoren" RELATED [ChEBI] is_a: CHEBI:50410 ! colour indicator [Term] id: CHEBI:50408 name: visual indicator namespace: chebi_ontology def: "Anything used in a scientific experiment that gives a visual change to indicate the presence of a substance or quality, change in a body, etc." [] subset: 3_STAR synonym: "indicador visual" RELATED [IUPAC] synonym: "indicateur visuel" RELATED [IUPAC] synonym: "visual indicator" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:47867 ! indicator [Term] id: CHEBI:50410 name: colour indicator namespace: chebi_ontology subset: 3_STAR synonym: "colour indicator" EXACT IUPAC_NAME [IUPAC] synonym: "indicador de color" RELATED [IUPAC] synonym: "indicateur colore" RELATED [IUPAC] synonym: "indicateurs colores" RELATED [ChEBI] is_a: CHEBI:50408 ! visual indicator [Term] id: CHEBI:50411 name: one-colour indicator namespace: chebi_ontology def: "A colour indicator that is colourless on one side of the transition interval." [] subset: 3_STAR synonym: "indicador monocolor" RELATED [IUPAC] synonym: "indicador monocromico" RELATED [IUPAC] synonym: "indicateur monocolore" RELATED [IUPAC] synonym: "one-colour indicator" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50410 ! colour indicator [Term] id: CHEBI:50414 name: methylpyridine namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26421 ! pyridines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.05785" xsd:string [Term] id: CHEBI:50415 name: 2-methylpyridine namespace: chebi_ontology alt_id: CHEBI:32545 alt_id: CHEBI:34297 def: "A methylpyridine carrying a methyl substituent at position 2." [] subset: 3_STAR synonym: "2-Mepy" RELATED [IUPAC] synonym: "2-Methylpyridine" EXACT [KEGG_COMPOUND] synonym: "2-methylpyridine" EXACT IUPAC_NAME [IUPAC] synonym: "2-picoline" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-picoline" RELATED [NIST_Chemistry_WebBook] synonym: "o-methylpyridine" RELATED [NIST_Chemistry_WebBook] synonym: "o-picoline" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:104581 {source="Beilstein"} xref: CAS:109-06-8 {source="ChemIDplus"} xref: CAS:109-06-8 {source="NIST Chemistry WebBook"} xref: CAS:109-06-8 {source="KEGG COMPOUND"} xref: Gmelin:2639 {source="Gmelin"} xref: KEGG:C14447 xref: PMID:21359348 {source="Europe PMC"} xref: PMID:23290448 {source="Europe PMC"} xref: Reaxys:104581 {source="Reaxys"} xref: Wikipedia:2-methylpyridine is_a: CHEBI:50414 ! methylpyridine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSKHPKMHTQYZBB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.12650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccn1" xsd:string [Term] id: CHEBI:50424 name: acrylate ester namespace: chebi_ontology subset: 3_STAR synonym: "2-propenoate ester" RELATED [ChEBI] synonym: "2-propenoate esters" RELATED [ChEBI] synonym: "acrylate esters" RELATED [ChEBI] synonym: "prop-2-enoate ester" RELATED [ChEBI] synonym: "prop-2-enoate esters" RELATED [ChEBI] is_a: CHEBI:51702 ! enoate ester [Term] id: CHEBI:50427 name: platelet aggregation inhibitor namespace: chebi_ontology def: "A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system." [] subset: 3_STAR synonym: "platelet aggregation inhibitors" RELATED [ChEBI] is_a: CHEBI:50248 ! hematologic agent [Term] id: CHEBI:50448 name: naphthylamine namespace: chebi_ontology def: "A primary arylamine that is naphthalene substituted by an amino group at unspecified position." [] subset: 3_STAR synonym: "Aminonaphthalin" RELATED [ChEBI] synonym: "naftilamina" RELATED [ChEBI] synonym: "naphthalenamine" EXACT IUPAC_NAME [IUPAC] synonym: "Naphthylamin" RELATED [ChEBI] is_a: CHEBI:38034 ! aminonaphthalene is_a: CHEBI:50471 ! primary arylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.07350" xsd:string [Term] id: CHEBI:50450 name: 1-naphthylamine namespace: chebi_ontology alt_id: CHEBI:34098 alt_id: CHEBI:50449 def: "A naphthylamine that is naphthalene substituted by an amino group at position 1." [] subset: 3_STAR synonym: "1-aminonaphthalene" RELATED [ChemIDplus] synonym: "1-naftilamina" RELATED [ChemIDplus] synonym: "1-naphthalamine" RELATED [ChemIDplus] synonym: "1-naphthalenamine" RELATED [NIST_Chemistry_WebBook] synonym: "1-Naphthylamin" RELATED [ChemIDplus] synonym: "1-Naphthylamine" EXACT [KEGG_COMPOUND] synonym: "alpha-aminonaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-naphthylamine" RELATED [NIST_Chemistry_WebBook] synonym: "naphthalen-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "naphthalen-1-ylamine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:386133 {source="Beilstein"} xref: CAS:134-32-7 {source="ChemIDplus"} xref: CAS:134-32-7 {source="NIST Chemistry WebBook"} xref: CAS:134-32-7 {source="KEGG COMPOUND"} xref: Gmelin:165496 {source="Gmelin"} xref: KEGG:C14790 xref: PMID:23706116 {source="Europe PMC"} xref: PMID:24735928 {source="Europe PMC"} xref: Reaxys:386133 {source="Reaxys"} xref: Wikipedia:1-Naphthylamine is_a: CHEBI:50448 ! naphthylamine relationship: has_role CHEBI:76967 ! human xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RUFPHBVGCFYCNW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.18520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1cccc2ccccc12" xsd:string [Term] id: CHEBI:50462 name: citronellol namespace: chebi_ontology def: "A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7." [] subset: 3_STAR synonym: "2,3-Dihydrogeraniol" RELATED [NIST_Chemistry_WebBook] synonym: "2,6-Dimethyl-2-octen-8-ol" RELATED [ChemIDplus] synonym: "3,7-Dimethyl-6-octen-1-ol" RELATED [ChemIDplus] synonym: "3,7-dimethyloct-6-en-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Citronellol" RELATED [NIST_Chemistry_WebBook] synonym: "Cephrol" RELATED [NIST_Chemistry_WebBook] synonym: "Elenol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1362474 {source="Beilstein"} xref: CAS:106-22-9 {source="ChemIDplus"} xref: CAS:106-22-9 {source="NIST Chemistry WebBook"} xref: PMID:20964319 {source="Europe PMC"} xref: Reaxys:1362474 {source="Reaxys"} xref: Wikipedia:Citronellol is_a: CHEBI:25409 ! monoterpenoid relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H20O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QMVPMAAFGQKVCJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "156.26520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "156.15142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CCO)CCC=C(C)C" xsd:string [Term] id: CHEBI:50471 name: primary arylamine namespace: chebi_ontology def: "A primary amine formally derived from ammonia by replacing one hydrogen atom by an aryl group. R-NH2 where R is an aryl group." [] subset: 3_STAR synonym: "an arylamine" RELATED [UniProt] synonym: "primary arylamine" EXACT [ChEBI] is_a: CHEBI:32877 ! primary amine is_a: CHEBI:33860 ! aromatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "16.023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N(*)[H]" xsd:string [Term] id: CHEBI:50477 name: butyrate ester namespace: chebi_ontology alt_id: CHEBI:87655 def: "Any carboxylic ester where the carboxylic acid component is butyric acid." [] subset: 3_STAR synonym: "a butanoate ester" RELATED [UniProt] synonym: "butanoate ester" RELATED [ChEBI] synonym: "butanoate esters" RELATED [ChEBI] synonym: "butyrate ester" EXACT [ChEBI] synonym: "butyrate esters" RELATED [ChEBI] synonym: "n-butanoate ester" RELATED [ChEBI] synonym: "n-butyrate ester" RELATED [ChEBI] xref: PMID:23383323 {source="SUBMITTER"} is_a: CHEBI:35748 ! fatty acid ester relationship: has_functional_parent CHEBI:30772 ! butyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.097" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(=O)O[*]" xsd:string [Term] id: CHEBI:50491 name: haloalkyl group namespace: chebi_ontology def: "A group derived from a haloalkane by removal of a hydrogen atom." [] subset: 3_STAR synonym: "haloalkyl groups" RELATED [ChEBI] is_a: CHEBI:33249 ! organyl group [Term] id: CHEBI:50492 name: thiocarbonyl compound namespace: chebi_ontology def: "Any compound containing the thiocarbonyl group, C=S." [] subset: 3_STAR synonym: "thiocarbonyl compounds" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound relationship: has_part CHEBI:30256 ! thiocarbonyl group [Term] id: CHEBI:50502 name: EC 2.5.1.15 (dihydropteroate synthase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dihydropteroate synthase (EC 2.5.1.15), an enzyme that catalyzes the formation of dihydropteroate from p-aminobenzoic acid and dihydropteridine-hydroxymethyl-pyrophosphate." [] subset: 3_STAR synonym: "(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor" RELATED [ChEBI] synonym: "(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors" RELATED [ChEBI] synonym: "2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitor" RELATED [ChEBI] synonym: "2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine-diphosphate:4-aminobenzoate 2-amino-4-hydroxydihydropteridine-6-methenyltransferase inhibitors" RELATED [ChEBI] synonym: "7,8-dihydropteroate synthase inhibitor" RELATED [ChEBI] synonym: "7,8-dihydropteroate synthase inhibitors" RELATED [ChEBI] synonym: "7,8-dihydropteroate synthetase inhibitor" RELATED [ChEBI] synonym: "7,8-dihydropteroate synthetase inhibitors" RELATED [ChEBI] synonym: "7,8-dihydropteroic acid synthetase inhibitor" RELATED [ChEBI] synonym: "7,8-dihydropteroic acid synthetase inhibitors" RELATED [ChEBI] synonym: "DHPS inhibitor" RELATED [ChEBI] synonym: "DHPS inhibitors" RELATED [ChEBI] synonym: "dihydropteroate diphosphorylase inhibitor" RELATED [ChEBI] synonym: "dihydropteroate diphosphorylase inhibitors" RELATED [ChEBI] synonym: "dihydropteroate pyrophosphorylase inhibitor" RELATED [ChEBI] synonym: "dihydropteroate pyrophosphorylase inhibitors" RELATED [ChEBI] synonym: "dihydropteroate synthase (EC 2.5.1.15) inhibitor" RELATED [ChEBI] synonym: "dihydropteroate synthase (EC 2.5.1.15) inhibitors" RELATED [ChEBI] synonym: "dihydropteroate synthase inhibitor" RELATED [ChEBI] synonym: "dihydropteroate synthase inhibitors" RELATED [ChEBI] synonym: "dihydropteroate synthetase inhibitor" RELATED [ChEBI] synonym: "dihydropteroate synthetase inhibitors" RELATED [ChEBI] synonym: "dihydropteroic synthetase inhibitor" RELATED [ChEBI] synonym: "dihydropteroic synthetase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.15 (dihydropteroate synthase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.15 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.15 inhibitors" RELATED [ChEBI] xref: Wikipedia:Dihydropteroate_synthase_inhibitor is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:50503 name: laxative namespace: chebi_ontology def: "An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic." [] subset: 3_STAR synonym: "aperient" RELATED [ChEBI] synonym: "aperients" RELATED [ChEBI] synonym: "laxante" RELATED [ChEBI] synonym: "laxatives" RELATED [ChEBI] synonym: "purgative" RELATED [ChEBI] synonym: "purgatives" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50505 name: sweetening agent namespace: chebi_ontology def: "Substance that sweeten food, beverages, medications, etc." [] subset: 3_STAR synonym: "sweetener" RELATED [ChEBI] synonym: "sweeteners" RELATED [ChEBI] is_a: CHEBI:35617 ! flavouring agent [Term] id: CHEBI:50509 name: potassium channel blocker namespace: chebi_ontology def: "An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions." [] subset: 3_STAR is_a: CHEBI:50510 ! potassium channel modulator [Term] id: CHEBI:50510 name: potassium channel modulator namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:50511 name: bipyridines namespace: chebi_ontology def: "Compounds containing a bipyridine group." [] subset: 3_STAR synonym: "bipyridyls" RELATED [ChEBI] is_a: CHEBI:36820 ! ring assembly is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:64459 ! biaryl [Term] id: CHEBI:50513 name: mydriatic agent namespace: chebi_ontology def: "Agent that dilates the pupil. Used in eye diseases and to facilitate eye examination. It may be either a sympathomimetic or parasympatholytic. The latter cause cycloplegia or paralysis of accommodation at high doses and may precipitate glaucoma." [] subset: 3_STAR synonym: "mydriatics" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50514 name: vasoconstrictor agent namespace: chebi_ontology def: "Drug used to cause constriction of the blood vessels." [] subset: 3_STAR is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:50523 name: butenolide namespace: chebi_ontology alt_id: CHEBI:22960 alt_id: CHEBI:38121 def: "A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "2-furanone" RELATED [ChEBI] synonym: "butenolides" RELATED [ChEBI] synonym: "furan-2-one" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Butenolide is_a: CHEBI:24129 ! furans is_a: CHEBI:37581 ! gamma-lactone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.02113" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50524 name: catecholate(1-) namespace: chebi_ontology def: "A phenolate anion that is the conjugate base of catechol." [] subset: 3_STAR synonym: "2-hydroxyphenolate" EXACT IUPAC_NAME [IUPAC] synonym: "pyrocatechol monoanion" RELATED [ChEBI] xref: Beilstein:3904355 {source="Beilstein"} xref: Gmelin:142204 {source="Gmelin"} xref: Reaxys:3904355 {source="Reaxys"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:32402 ! catecholate(2-) relationship: is_conjugate_base_of CHEBI:18135 ! catechol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCIMNLLNPGFGHC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "109.10270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1[O-]" xsd:string [Term] id: CHEBI:50525 name: phenolate anion namespace: chebi_ontology def: "An organic anion arising from deprotonation of the OH function of a phenol compound." [] subset: 3_STAR synonym: "phenolate anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:50526 name: phenolate namespace: chebi_ontology def: "A phenolate anion that is the conjugate base of phenol obtained by deprotonation of the OH group." [] subset: 3_STAR synonym: "Phenol ion" RELATED [ChemIDplus] synonym: "phenolate" EXACT IUPAC_NAME [IUPAC] synonym: "phenoxide anion" RELATED [NIST_Chemistry_WebBook] synonym: "Phenoxy ion" RELATED [ChemIDplus] xref: Beilstein:3587965 {source="Beilstein"} xref: CAS:3229-70-7 {source="NIST Chemistry WebBook"} xref: CAS:3229-70-7 {source="ChemIDplus"} xref: Gmelin:2793 {source="Gmelin"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:15882 ! phenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISWSIDIOOBJBQZ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.10330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.03459" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1ccccc1" xsd:string [Term] id: CHEBI:50533 name: protein denaturant namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33232 ! application [Term] id: CHEBI:50536 name: phosphorus coordination entity namespace: chebi_ontology subset: 3_STAR synonym: "phosphorus coordination compounds" RELATED [ChEBI] synonym: "phosphorus coordination entities" RELATED [ChEBI] synonym: "phosphorus coordination entity" EXACT [ChEBI] is_a: CHEBI:26082 ! phosphorus molecular entity is_a: CHEBI:36562 ! main-group coordination entity [Term] id: CHEBI:50539 name: thiolate anion namespace: chebi_ontology alt_id: CHEBI:58617 subset: 3_STAR synonym: "thiolate" RELATED [ChEBI] synonym: "thiolate anion" EXACT [ChEBI] synonym: "thiolate anions" RELATED [ChEBI] synonym: "thiolates" RELATED [ChEBI] is_a: CHEBI:84291 ! organic sulfur anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S-][*]" xsd:string [Term] id: CHEBI:50562 name: tartrate salt namespace: chebi_ontology def: "A salt of the organic compound tartaric acid." [] subset: 3_STAR synonym: "tartrate" RELATED [ChEBI] synonym: "tartrate salts" RELATED [ChEBI] synonym: "tartrates" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt [Term] id: CHEBI:50566 name: nitric oxide donor namespace: chebi_ontology alt_id: CHEBI:77704 def: "An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide." [] subset: 3_STAR synonym: "nitric oxide donors" RELATED [ChEBI] synonym: "nitric oxide generators" RELATED [ChEBI] synonym: "nitric oxide releasing agent" RELATED [ChEBI] synonym: "nitric oxide releasing agents" RELATED [ChEBI] synonym: "NO donor" RELATED [ChEBI] synonym: "NO donors" RELATED [ChEBI] synonym: "NO generator" RELATED [ChEBI] synonym: "NO generators" RELATED [ChEBI] synonym: "NO releasing agent" RELATED [ChEBI] synonym: "NO releasing agents" RELATED [ChEBI] is_a: CHEBI:17891 ! donor [Term] id: CHEBI:50569 name: isobutyl acetate namespace: chebi_ontology def: "The acetate ester of isobutanol." [] subset: 3_STAR synonym: "2-methyl-1-propyl acetate" RELATED [ChemIDplus] synonym: "2-methylpropyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylpropyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "acetate d'isobutyle" RELATED [ChemIDplus] synonym: "acetic acid, 2-methylpropyl ester" RELATED [ChemIDplus] synonym: "acetic acid, isobutyl ester" RELATED [ChemIDplus] synonym: "beta-methylpropyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Essigsaeureisobutylester" RELATED [ChEBI] synonym: "i-butyl acetate" RELATED [NIST_Chemistry_WebBook] synonym: "isobutyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "isobutyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Isobutylacetat" RELATED [ChEBI] synonym: "Isobutylazetat" RELATED [ChEBI] xref: Beilstein:1741909 {source="Beilstein"} xref: CAS:110-19-0 {source="NIST Chemistry WebBook"} xref: CAS:110-19-0 {source="ChemIDplus"} xref: Gmelin:101394 {source="Gmelin"} xref: Reaxys:1741909 {source="Reaxys"} xref: Wikipedia:Isobutyl_acetate is_a: CHEBI:47622 ! acetate ester relationship: has_functional_parent CHEBI:46645 ! isobutanol relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GJRQTCIYDGXPES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)COC(C)=O" xsd:string [Term] id: CHEBI:50584 name: alkyl alcohol namespace: chebi_ontology alt_id: CHEBI:22937 alt_id: CHEBI:50581 def: "An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position." [] subset: 3_STAR synonym: "alkyl alcohols" RELATED [ChEBI] synonym: "hydroxyalkane" RELATED [ChEBI] synonym: "hydroxyalkanes" RELATED [ChEBI] is_a: CHEBI:2571 ! aliphatic alcohol property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:506227 name: N-acetyl-D-glucosamine namespace: chebi_ontology def: "The D isomer of N-acetylglucosamine." [] subset: 3_STAR synonym: "2-acetamido-2-deoxy-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "2-Acetamido-2-deoxy-D-glucose" RELATED [DrugBank] synonym: "2-Acetamido-2-deoxy-D-glucose" RELATED [KEGG_COMPOUND] synonym: "GlcNAc" RELATED [DrugBank] synonym: "GlcNAc" RELATED [KEGG_COMPOUND] synonym: "N-Acetyl-D-glucosamine" EXACT [KEGG_COMPOUND] synonym: "N-acetyl-D-glucosamine" EXACT [UniProt] synonym: "N-Acetylchitosamine" RELATED [DrugBank] synonym: "N-Acetylchitosamine" RELATED [KEGG_COMPOUND] synonym: "WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*NCC/3=O]/1/" RELATED [GlyTouCan] xref: Beilstein:1913592 {source="Beilstein"} xref: CAS:7512-17-6 {source="KEGG COMPOUND"} xref: DrugBank:DB00141 xref: GlyGen:G64581RP xref: GlyTouCan:G64581RP xref: KEGG:C00140 xref: PDBeChem:NAG xref: PMID:11950472 {source="Europe PMC"} xref: PMID:21487204 {source="Europe PMC"} xref: PMID:6174502 {source="Europe PMC"} xref: PMID:7688662 {source="Europe PMC"} is_a: CHEBI:21601 ! N-acetyl-D-hexosamine is_a: CHEBI:59640 ! N-acetylglucosamine relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVRNDRQMDRJTHS-RTRLPJTCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.20780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.08994" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:50629 name: cyclooxygenase 2 inhibitor namespace: chebi_ontology def: "A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2." [] subset: 3_STAR synonym: "COX-2 inhibitor" RELATED [ChEBI] synonym: "COX-2 inhibitors" RELATED [ChEBI] synonym: "cyclo-oxygenase 2 inhibitor" RELATED [ChEBI] synonym: "cyclo-oxygenase 2 inhibitors" RELATED [ChEBI] synonym: "cyclo-oxygenase-2 inhibitor" RELATED [ChEBI] synonym: "cyclo-oxygenase-2 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase 2 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase-2 inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase-2 inhibitors" RELATED [ChEBI] synonym: "PGHS-2 inhibitor" RELATED [ChEBI] synonym: "PGHS-2 inhibitors" RELATED [ChEBI] synonym: "prostaglandin H synthase-2 inhibitor" RELATED [ChEBI] synonym: "prostaglandin H synthase-2 inhibitors" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 2 inhibitor" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 2 inhibitors" RELATED [ChEBI] xref: Wikipedia:Prostaglandin-endoperoxide_synthase_2 is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] id: CHEBI:5063 name: fipronil namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-fipronil." [] subset: 3_STAR synonym: "(+-)-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile" RELATED [IUPAC] synonym: "5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-[(trifluoromethyl)sulfinyl]pyrazole-3-carbonitrile" RELATED [Alan_Wood's_Pesticides] synonym: "Fipronil" EXACT [KEGG_COMPOUND] synonym: "rac-5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "rac-fipronil" RELATED [ChEBI] xref: Beilstein:8090115 {source="Beilstein"} xref: CAS:120068-37-3 {source="NIST Chemistry WebBook"} xref: CAS:120068-37-3 {source="ChemIDplus"} xref: CAS:120068-37-3 {source="KEGG COMPOUND"} xref: KEGG:C11099 xref: KEGG:D01042 xref: Patent:EP295117 xref: Patent:US5232940 xref: Pesticides:fipronil {source="Alan Wood's Pesticides"} xref: PMID:14667049 {source="Europe PMC"} xref: PMID:17562454 {source="Europe PMC"} xref: PMID:17687584 {source="Europe PMC"} xref: PMID:18155147 {source="Europe PMC"} xref: PMID:18835630 {source="Europe PMC"} xref: PMID:19215184 {source="Europe PMC"} xref: PMID:19355792 {source="Europe PMC"} xref: PMID:20821427 {source="Europe PMC"} xref: PMID:22502899 {source="Europe PMC"} xref: PMID:23109279 {source="Europe PMC"} xref: PMID:23576335 {source="Europe PMC"} xref: PMID:23618775 {source="Europe PMC"} xref: PMID:24742550 {source="Europe PMC"} xref: PMID:24899256 {source="Europe PMC"} xref: PMID:24938819 {source="Europe PMC"} xref: PMID:25077813 {source="Europe PMC"} xref: PMID:25096486 {source="Europe PMC"} xref: PMID:25131894 {source="Europe PMC"} xref: Reaxys:8090115 {source="Reaxys"} xref: Wikipedia:Fipronil is_a: CHEBI:39090 ! phenylpyrazole insecticide is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83395 ! (R)-fipronil relationship: has_part CHEBI:83396 ! (S)-fipronil relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38999 ! GABA-gated chloride channel antagonist relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:50630 name: cyclooxygenase 1 inhibitor namespace: chebi_ontology def: "A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1." [] subset: 3_STAR synonym: "COX-1 inhibitor" RELATED [ChEBI] synonym: "COX-1 inhibitors" RELATED [ChEBI] synonym: "cyclo-oxygenase 1 inhibitor" RELATED [ChEBI] synonym: "cyclo-oxygenase 1 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase 1 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase-1 inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase-1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin G/H synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin G/H synthase 1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin H2 synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin H2 synthase 1 inhibitors" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 1 inhibitor" RELATED [ChEBI] synonym: "prostaglandin-endoperoxide synthase 1 inhibitors" RELATED [ChEBI] synonym: "PTGS1 inhibitor" RELATED [ChEBI] synonym: "PTGS1 inhibitors" RELATED [ChEBI] xref: Wikipedia:PTGS1 is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] id: CHEBI:50631 name: nitronaphthalene namespace: chebi_ontology def: "A nitroarene that is naphthalene substituted by at least one nitro group." [] subset: 3_STAR synonym: "nitronaphthalenes" RELATED [ChEBI] is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:51132 ! nitroarene relationship: has_parent_hydride CHEBI:16482 ! naphthalene [Term] id: CHEBI:50632 name: mononitronaphthalene namespace: chebi_ontology def: "A nitronaphthalene carrying a single nitro group at unspecified position." [] subset: 3_STAR is_a: CHEBI:50631 ! nitronaphthalene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.04768" xsd:string [Term] id: CHEBI:50637 name: 2-nitronaphthalene namespace: chebi_ontology def: "A mononitronaphthalene carrying a nitro group at position 2." [] subset: 3_STAR synonym: "2-nitronaphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "beta-nitronaphthalene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2046354 {source="Beilstein"} xref: CAS:581-89-5 {source="ChemIDplus"} xref: CAS:581-89-5 {source="NIST Chemistry WebBook"} xref: CAS:581-89-5 {source="KEGG COMPOUND"} xref: KEGG:C19474 xref: PMID:13778003 {source="Europe PMC"} xref: PMID:4986249 {source="Europe PMC"} xref: PMID:7026224 {source="Europe PMC"} xref: Reaxys:2046354 {source="Reaxys"} is_a: CHEBI:50632 ! mononitronaphthalene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJYJZEAJZXVAMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.16812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:50643 name: EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of dimethylallyltranstransferase (EC 2.5.1.1)." [] subset: 3_STAR synonym: "(2E,6E)-farnesyl diphosphate synthetase inhibitor" RELATED [ChEBI] synonym: "(2E,6E)-farnesyl diphosphate synthetase inhibitors" RELATED [ChEBI] synonym: "dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitor" RELATED [ChEBI] synonym: "dimethylallyl-diphosphate:isopentenyl-diphosphate dimethylallyltranstransferase inhibitors" RELATED [ChEBI] synonym: "dimethylallyltransferase inhibitor" RELATED [ChEBI] synonym: "dimethylallyltransferase inhibitors" RELATED [ChEBI] synonym: "dimethylallyltranstransferase (EC 2.5.1.1) inhibitor" RELATED [ChEBI] synonym: "dimethylallyltranstransferase (EC 2.5.1.1) inhibitors" RELATED [ChEBI] synonym: "dimethylallyltranstransferase inhibitor" RELATED [ChEBI] synonym: "dimethylallyltranstransferase inhibitors" RELATED [ChEBI] synonym: "diprenyltransferase inhibitor" RELATED [ChEBI] synonym: "diprenyltransferase inhibitors" RELATED [ChEBI] synonym: "DMAPP:IPP-dimethylallyltransferase inhibitor" RELATED [ChEBI] synonym: "DMAPP:IPP-dimethylallyltransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.1 (dimethylallyltranstransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.1 inhibitors" RELATED [ChEBI] synonym: "geranyl pyrophosphate synthase inhibitor" RELATED [ChEBI] synonym: "geranyl pyrophosphate synthase inhibitors" RELATED [ChEBI] synonym: "geranyl pyrophosphate synthetase inhibitor" RELATED [ChEBI] synonym: "geranyl pyrophosphate synthetase inhibitors" RELATED [ChEBI] synonym: "geranyl-diphosphate synthase inhibitor" RELATED [ChEBI] synonym: "geranyl-diphosphate synthase inhibitors" RELATED [ChEBI] synonym: "prenyltransferase inhibitor" RELATED [ChEBI] synonym: "prenyltransferase inhibitors" RELATED [ChEBI] synonym: "trans-farnesyl pyrophosphate synthetase inhibitor" RELATED [ChEBI] synonym: "trans-farnesyl pyrophosphate synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Dimethylallyltranstransferase is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:50646 name: bone density conservation agent namespace: chebi_ontology alt_id: CHEBI:72497 def: "An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis." [] subset: 3_STAR synonym: "anti-osteopenia agent" RELATED [ChEBI] synonym: "anti-osteopenia agents" RELATED [ChEBI] synonym: "anti-osteopenia drug" RELATED [ChEBI] synonym: "anti-osteopenia drugs" RELATED [ChEBI] synonym: "anti-osteoporosis agent" RELATED [ChEBI] synonym: "anti-osteoporosis agents" RELATED [ChEBI] synonym: "anti-osteoporosis drug" RELATED [ChEBI] synonym: "anti-osteoporosis drugs" RELATED [ChEBI] synonym: "anti-osteoporotic" RELATED [ChEBI] synonym: "anti-osteoporotic agent" RELATED [ChEBI] synonym: "anti-osteoporotic agents" RELATED [ChEBI] synonym: "anti-osteoporotic drug" RELATED [ChEBI] synonym: "anti-osteoporotic drugs" RELATED [ChEBI] synonym: "anti-osteoporotics" RELATED [ChEBI] synonym: "antiosteoporotic" RELATED [ChEBI] synonym: "antiosteoporotics" RELATED [ChEBI] synonym: "bone density conservation agents" RELATED [ChEBI] synonym: "bone density conservation drug" RELATED [ChEBI] synonym: "bone density conservation drugs" RELATED [ChEBI] xref: Wikipedia:Osteoporosis is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50647 name: alendronate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-36378 is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:2567 ! alendronic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12NO7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGSPWJRAVKPPFI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "248.08870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "248.00945" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(O)(P(O)(O)=O)P(O)([O-])=O" xsd:string [Term] id: CHEBI:50648 name: 9-cis-retinoic acid namespace: chebi_ontology alt_id: CHEBI:63793 def: "A retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry." [] subset: 3_STAR synonym: "(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid" RELATED [IUPAC] synonym: "(7E,9Z,11E,13E)-retinoic acid" RELATED [ChEBI] synonym: "(9cis)-retinoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "9(Z)-Retinoic acid" RELATED [ChemIDplus] synonym: "9-cis-Tretinoin" RELATED [ChemIDplus] synonym: "Alitretinoin" RELATED [KEGG_DRUG] synonym: "alitretinoina" RELATED INN [ChEBI] synonym: "alitretinoine" RELATED INN [ChEBI] synonym: "alitretinoinum" RELATED INN [ChEBI] synonym: "Panretin" RELATED BRAND_NAME [DrugBank] xref: CAS:5300-03-8 {source="KEGG COMPOUND"} xref: CAS:5300-03-8 {source="ChemIDplus"} xref: Drug_Central:3862 {source="DrugCentral"} xref: DrugBank:DB00523 xref: HMDB:HMDB0002369 xref: KEGG:C15493 xref: KEGG:D02815 xref: LIPID_MAPS_instance:LMPR01090022 {source="LIPID MAPS"} xref: PMID:10684759 {source="Europe PMC"} xref: PMID:11978340 {source="Europe PMC"} xref: PMID:12611604 {source="Europe PMC"} xref: PMID:12882648 {source="Europe PMC"} xref: PMID:15217968 {source="Europe PMC"} xref: PMID:15292987 {source="Europe PMC"} xref: PMID:15519497 {source="Europe PMC"} xref: PMID:16144296 {source="Europe PMC"} xref: PMID:17019405 {source="Europe PMC"} xref: PMID:18400206 {source="Europe PMC"} xref: PMID:18404486 {source="Europe PMC"} xref: PMID:19678713 {source="Europe PMC"} xref: PMID:7670094 {source="Europe PMC"} xref: Reaxys:2057222 {source="Reaxys"} xref: Wikipedia:Alitretinoin is_a: CHEBI:26536 ! retinoic acid relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:63794 ! retinoid X receptor agonist relationship: is_conjugate_acid_of CHEBI:78630 ! 9-cis-retinoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-ZVCIMWCZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.43512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1=C(C)CCCC1(C)C)=C\\C=C\\C(C)=C\\C(O)=O" xsd:string [Term] id: CHEBI:50659 name: dronedarone namespace: chebi_ontology def: "A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias." [] subset: 3_STAR synonym: "dronedarone" RELATED INN [KEGG_DRUG] synonym: "Multaq" RELATED BRAND_NAME [ChemIDplus] synonym: "N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-methanesulfonamide" RELATED [ChemIDplus] synonym: "N-(2-butyl-3-(p-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamide" RELATED [ChemIDplus] synonym: "N-[2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "SR 33589" RELATED [ChemIDplus] synonym: "SR 33589B" RELATED [ChemIDplus] xref: CAS:141626-36-0 {source="ChemIDplus"} xref: Drug_Central:4112 {source="DrugCentral"} xref: KEGG:D02537 xref: Patent:EP2684564 xref: Patent:MX2013006564 xref: PMID:23338943 {source="Europe PMC"} xref: PMID:24084222 {source="Europe PMC"} xref: PMID:24486334 {source="Europe PMC"} xref: Reaxys:8176529 {source="Reaxys"} xref: Wikipedia:Dronedarone is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38830 ! 1-benzofurans is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C31H44N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQTNQVWKHCQYLQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "556.75754" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "556.29709" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2ccc(NS(C)(=O)=O)cc12" xsd:string [Term] id: CHEBI:50671 name: antithyroid drug namespace: chebi_ontology def: "A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones." [] subset: 3_STAR synonym: "antithyroid agent" RELATED [ChEBI] synonym: "antithyroid agents" RELATED [ChEBI] synonym: "antithyroid drugs" RELATED [ChEBI] xref: Wikipedia:Antithyroid_agent is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:50680 name: methotrexate(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-4-carboxy-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)butanoate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:5197927 {source="Beilstein"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_acid_of CHEBI:50681 ! methotrexate(2-) relationship: is_conjugate_base_of CHEBI:44185 ! methotrexate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21N8O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p-1/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBOZXECLQNJBKD-ZDUSSCGKSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "453.43166" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "453.16404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O" xsd:string [Term] id: CHEBI:50681 name: methotrexate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "(2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "methotrexate" RELATED [UniProt] xref: Beilstein:6081035 {source="Beilstein"} is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:50680 ! methotrexate(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20N8O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p-2/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBOZXECLQNJBKD-ZDUSSCGKSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "452.42372" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "452.15676" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:50683 name: EC 1.5.1.3 (dihydrofolate reductase) inhibitor namespace: chebi_ontology def: "An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3)." [] subset: 3_STAR synonym: "7,8-dihydrofolate reductase inhibitor" RELATED [ChEBI] synonym: "7,8-dihydrofolate reductase inhibitors" RELATED [ChEBI] synonym: "DHFR inhibitor" RELATED [ChEBI] synonym: "DHFR inhibitors" RELATED [ChEBI] synonym: "dihydrofolate reductase (EC 1.5.1.3) inhibitor" RELATED [ChEBI] synonym: "dihydrofolate reductase (EC 1.5.1.3) inhibitors" RELATED [ChEBI] synonym: "dihydrofolate reductase inhibitor" RELATED [ChEBI] synonym: "dihydrofolate reductase inhibitors" RELATED [ChEBI] synonym: "dihydrofolic acid reductase inhibitor" RELATED [ChEBI] synonym: "dihydrofolic acid reductase inhibitors" RELATED [ChEBI] synonym: "dihydrofolic reductase inhibitor" RELATED [ChEBI] synonym: "dihydrofolic reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.5.1.3 (dihydrofolate reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.5.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 1.5.1.3 inhibitors" RELATED [ChEBI] synonym: "folic acid reductase inhibitor" RELATED [ChEBI] synonym: "folic acid reductase inhibitors" RELATED [ChEBI] synonym: "folic reductase inhibitor" RELATED [ChEBI] synonym: "folic reductase inhibitors" RELATED [ChEBI] synonym: "NADPH-dihydrofolate reductase inhibitor" RELATED [ChEBI] synonym: "NADPH-dihydrofolate reductase inhibitors" RELATED [ChEBI] synonym: "tetrahydrofolate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "tetrahydrofolate dehydrogenase inhibitors" RELATED [ChEBI] xref: Wikipedia:Dihydrofolate_reductase_inhibitor is_a: CHEBI:73913 ! antifolate is_a: CHEBI:76863 ! EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:50684 name: cross-linking reagent namespace: chebi_ontology def: "A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified." [] subset: 3_STAR synonym: "cross-linking reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent [Term] id: CHEBI:50685 name: antitrichomonal drug namespace: chebi_ontology def: "A drug used to treat trichomonas infections." [] subset: 3_STAR synonym: "antitrichomonal agent" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:50686 name: atorvastatin calcium namespace: chebi_ontology def: "An organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio." [] subset: 3_STAR synonym: "Atorvastan" RELATED BRAND_NAME [DrugBank] synonym: "Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)" RELATED [ChemIDplus] synonym: "calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}" EXACT IUPAC_NAME [IUPAC] synonym: "Lipitor" RELATED BRAND_NAME [DrugBank] synonym: "Liprimar" RELATED BRAND_NAME [DrugBank] xref: CAS:134523-03-8 {source="ChemIDplus"} xref: DrugBank:DB01076 xref: KEGG:D00887 xref: Reaxys:5373842 {source="Reaxys"} is_a: CHEBI:51031 ! organic calcium salt relationship: has_part CHEBI:50690 ! atorvastatin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C33H34FN2O5)2.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C66H68CaF2N4O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FQCKMBLVYCEXJB-MNSAWQCASA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1155.34189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1154.45294" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O" xsd:string [Term] id: CHEBI:50689 name: reproductive control drug namespace: chebi_ontology def: "A substance used either in the prevention or facilitation of pregnancy." [] subset: 3_STAR synonym: "reproductive control agent" RELATED [ChEBI] synonym: "reproductive control drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50690 name: atorvastatin(1-) namespace: chebi_ontology subset: 3_STAR synonym: "(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:39548 ! atorvastatin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H34FN2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUKUURHRXDUEBC-KAYWLYCHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "557.63194" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "557.24572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O" xsd:string [Term] id: CHEBI:50691 name: abortifacient namespace: chebi_ontology def: "A chemical substance that interrupts pregnancy after implantation." [] subset: 3_STAR synonym: "abortifacient agent" RELATED [ChEBI] synonym: "abortifacient agents" RELATED [ChEBI] synonym: "abortifacient drug" RELATED [ChEBI] synonym: "abortifacient drugs" RELATED [ChEBI] synonym: "abortifacients" RELATED [ChEBI] xref: Wikipedia:Abortifacient is_a: CHEBI:50689 ! reproductive control drug [Term] id: CHEBI:50699 name: oligosaccharide namespace: chebi_ontology alt_id: CHEBI:25679 alt_id: CHEBI:35319 alt_id: CHEBI:7758 def: "A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues." [] comment: LanguaL term definition: Complex carbohydrate with molecules composed of three to ten saccharide units (specifically dextrin). May be slightly sweet to the taste. subset: 3_STAR synonym: "O-glycosylglycoside" RELATED [ChEBI] synonym: "O-glycosylglycosides" RELATED [ChEBI] synonym: "oligosacarido" RELATED [ChEBI] synonym: "oligosacaridos" RELATED [IUPAC] synonym: "Oligosaccharide" EXACT [KEGG_COMPOUND] synonym: "oligosaccharides" EXACT IUPAC_NAME [IUPAC] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0226 xref: KEGG:C00930 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:167559 ! glycan property_value: IAO:0000118 "oligosaccharide" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:5070 name: flavanone namespace: chebi_ontology def: "The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4." [] subset: 3_STAR synonym: "2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one" RELATED [] synonym: "2,3-Dihydroflavone" RELATED [] synonym: "2-phenyl-2,3-dihydro-4H-chromen-4-one" EXACT [] synonym: "2-phenyl-4-chromanone" RELATED [] synonym: "2-phenylchroman-4-one" RELATED [] synonym: "Flavanone" EXACT [] synonym: "flavanone" EXACT [] xref: Beilstein:183227 xref: Beilstein:85290 xref: CAS:487-26-3 xref: KEGG:C00766 xref: LINCS:LSM-1283 xref: MetaCyc:FLAVANONES xref: Reaxys:85290 is_a: CHEBI:38672 ! flavans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZONYXWQDUYMKFB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "224.25458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "224.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CC(Oc2ccccc12)c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:50733 name: nutraceutical namespace: chebi_ontology def: "A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance." [] subset: 3_STAR synonym: "Dietary Supplement" RELATED [ChEBI] synonym: "Food Supplementation" RELATED [ChEBI] synonym: "Nutritional supplement" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50745 name: progestogen namespace: chebi_ontology def: "A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone." [] subset: 3_STAR synonym: "gestagen" RELATED [ChEBI] synonym: "gestagens" RELATED [ChEBI] synonym: "progestagen" RELATED [ChEBI] synonym: "progestagens" RELATED [ChEBI] synonym: "progestogens" RELATED [ChEBI] is_a: CHEBI:50112 ! sex hormone [Term] id: CHEBI:50748 name: antipsoriatic namespace: chebi_ontology def: "A drug used to treat psoriasis." [] subset: 3_STAR synonym: "antipsoriatic agent" RELATED [ChEBI] synonym: "antipsoriatic drug" RELATED [ChEBI] is_a: CHEBI:50177 ! dermatologic drug [Term] id: CHEBI:50750 name: EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor namespace: chebi_ontology alt_id: CHEBI:132229 alt_id: CHEBI:50234 def: "A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands." [] subset: 3_STAR synonym: "DNA gyrase inhibitor" RELATED [ChEBI] synonym: "DNA gyrase inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase (ATP-hydrolysing) inhibitors" RELATED [ChEBI] synonym: "DNA topoisomerase II inhibitor" RELATED [ChEBI] synonym: "DNA topoisomerase II inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.3 inhibitors" RELATED [ChEBI] synonym: "inhibitor of type II topoisomerase" RELATED [ChEBI] synonym: "inhibitors of type II topoisomerase" RELATED [ChEBI] synonym: "topoisomerase II inhibitor" RELATED [ChEBI] synonym: "topoisomerase II inhibitors" RELATED [ChEBI] synonym: "topoisomerase-II inhibitor" RELATED [ChEBI] synonym: "topoisomerase-II inhibitors" RELATED [ChEBI] synonym: "type II DNA topoisomerase inhibitor" RELATED [ChEBI] synonym: "type II DNA topoisomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:50753 name: isoflavonoid namespace: chebi_ontology def: "Any 1-benzopyran with an aryl substituent at position 3. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "3-aryl-1-benzopyran" RELATED [] synonym: "3-aryl-1-benzopyrans" RELATED [] synonym: "isoflavonoids" RELATED [] xref: MetaCyc:Isoflavonoids xref: Wikipedia:Isoflavonoid is_a: CHEBI:72544 ! flavonoids property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:50779 name: appetite enhancer namespace: chebi_ontology def: "A drug which increases appetite." [] subset: 3_STAR synonym: "appetite enhancing drug" RELATED [ChEBI] synonym: "appetite stimulant" RELATED [ChEBI] synonym: "orexigenic" RELATED [ChEBI] xref: Wikipedia:Appetite_stimulants is_a: CHEBI:50780 ! appetite regulator [Term] id: CHEBI:50780 name: appetite regulator namespace: chebi_ontology def: "An agent which regulates the physiologic mechanisms that control the appetite and food intake." [] subset: 3_STAR synonym: "appetite regulators" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50784 name: pivalate ester namespace: chebi_ontology def: "A carboxylic ester of pivalic acid." [] subset: 3_STAR synonym: "2,2-dimethylpropanoate ester" RELATED [ChEBI] synonym: "2,2-dimethylpropanoate esters" RELATED [ChEBI] synonym: "2,2-dimethylpropionate ester" RELATED [ChEBI] synonym: "2,2-dimethylpropionate esters" RELATED [ChEBI] synonym: "pivalate ester" EXACT [ChEBI] synonym: "pivalate esters" RELATED [ChEBI] synonym: "trimethylacetate ester" RELATED [ChEBI] synonym: "trimethylacetate esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:45133 ! pivalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.124" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C)(C)C)(=O)O*" xsd:string [Term] id: CHEBI:50790 name: EC 1.14.14.14 (aromatase) inhibitor namespace: chebi_ontology def: "An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones." [] subset: 3_STAR synonym: "aromatase (EC 1.14.14.14) inhibitor" RELATED [ChEBI] synonym: "aromatase (EC 1.14.14.14) inhibitors" RELATED [ChEBI] synonym: "aromatase inhibitor" RELATED [ChEBI] synonym: "aromatase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.14 (aromatase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.14 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.14 inhibitors" RELATED [ChEBI] synonym: "estrogen synthase inhibitor" RELATED [ChEBI] synonym: "estrogen synthase inhibitors" RELATED [ChEBI] synonym: "estrogen synthetase inhibitor" RELATED [ChEBI] synonym: "estrogen synthetase inhibitors" RELATED [ChEBI] synonym: "oestrogen synthase inhibitor" RELATED [ChEBI] synonym: "oestrogen synthase inhibitors" RELATED [ChEBI] synonym: "oestrogen synthetase inhibitor" RELATED [ChEBI] synonym: "oestrogen synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:Aromatase_inhibitor is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor [Term] id: CHEBI:50795 name: nanostructure namespace: chebi_ontology def: "A nanometre sized object." [] subset: 3_STAR synonym: "nanoestructura" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity [Term] id: CHEBI:50803 name: nanoparticle namespace: chebi_ontology def: "A nanosized spherical or capsule-shaped structure." [] subset: 3_STAR synonym: "nanoparticles" RELATED [ChEBI] synonym: "nanoparticula" RELATED [ChEBI] synonym: "nanoparticule" RELATED [ChEBI] synonym: "Nanoteilchen" RELATED [ChEBI] synonym: "NP" RELATED [ChEBI] is_a: CHEBI:50795 ! nanostructure [Term] id: CHEBI:50816 name: iron oxide namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24873 ! iron molecular entity [Term] id: CHEBI:50817 name: iron oxide mineral namespace: chebi_ontology subset: 3_STAR synonym: "iron oxide minerals" RELATED [ChEBI] is_a: CHEBI:46725 ! oxide mineral is_a: CHEBI:50816 ! iron oxide [Term] id: CHEBI:50818 name: hematite namespace: chebi_ontology subset: 3_STAR synonym: "blood stone" RELATED [ChemIDplus] synonym: "Blutstein" RELATED [ChEBI] synonym: "Haematit" RELATED [ChEBI] synonym: "haematite" RELATED [ChEBI] synonym: "hematita" RELATED [ChEBI] synonym: "hematite" EXACT [ChEBI] synonym: "oligist" RELATED [ChemIDplus] synonym: "oligiste" RELATED [ChEBI] xref: CAS:1317-60-8 {source="ChemIDplus"} xref: CAS:1317-60-8 {source="KEGG COMPOUND"} xref: KEGG:C19555 is_a: CHEBI:50817 ! iron oxide mineral is_a: CHEBI:50819 ! ferric oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "159.689" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "159.85462" xsd:string [Term] id: CHEBI:50819 name: ferric oxide namespace: chebi_ontology subset: 3_STAR synonym: "diiron trioxide" EXACT IUPAC_NAME [IUPAC] synonym: "Eisen(III)-oxid" RELATED [ChEBI] synonym: "Eisentrioxid" RELATED [ChEBI] synonym: "iron trioxide" RELATED [ChemIDplus] synonym: "iron(3+) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "iron(III) oxide" EXACT IUPAC_NAME [IUPAC] xref: CAS:1309-37-1 {source="ChemIDplus"} xref: CAS:1309-37-1 {source="KEGG COMPOUND"} xref: CAS:1309-37-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:4443 {source="DrugCentral"} xref: Gmelin:11092 {source="Gmelin"} xref: KEGG:C19424 xref: KEGG:D04168 is_a: CHEBI:50816 ! iron oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Fe.3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JEIPFZHSYJVQDO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "159.68820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "159.85462" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Fe]O[Fe]=O" xsd:string [Term] id: CHEBI:50830 name: fluorinated steroid namespace: chebi_ontology def: "A steroid which is substituted with one or more fluorine atoms in any position." [] subset: 3_STAR synonym: "fluorinated steroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:50842 name: norflurazon namespace: chebi_ontology def: "A pyridazinone that is pyridazin-3(2H)-one which is substituted at positions 2, 4, and 5 by m-(trifluoromethyl)phenyl, chloro, and methylamino groups, respectively. A pre-emergence herbicide used to control grasses and broad-leafed weeds in a variety of crops. Not approved for use within the European Union." [] subset: 3_STAR synonym: "4-chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone" RELATED [NIST_Chemistry_WebBook] synonym: "4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone" RELATED [NIST_Chemistry_WebBook] synonym: "4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "SAN 9789" RELATED [ChemIDplus] synonym: "Solicam" RELATED BRAND_NAME [ChemIDplus] synonym: "Zorial" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:757115 {source="Beilstein"} xref: CAS:27314-13-2 {source="ChemIDplus"} xref: CAS:27314-13-2 {source="NIST Chemistry WebBook"} xref: CAS:27314-13-2 {source="Alan Wood's Pesticides"} xref: CAS:27314-13-2 {source="KEGG COMPOUND"} xref: KEGG:C18874 xref: Patent:BE712832 xref: Patent:US3644355 xref: PDBeChem:NRF xref: Pesticides:norflurazon {source="Alan Wood's Pesticides"} xref: PMID:16659463 {source="Europe PMC"} xref: PMID:24936791 {source="Europe PMC"} xref: PMID:26735720 {source="Europe PMC"} xref: PPDB:486 is_a: CHEBI:26414 ! pyridazinone is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9ClF3N3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NVGOPFQZYCNLDU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.668" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.03862" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C1=CC(=CC=C1)N2C(C(=C(C=N2)NC)Cl)=O)(F)(F)F" xsd:string [Term] id: CHEBI:50843 name: antimineralocorticoid namespace: chebi_ontology def: "A compound which inhibits or antagonizes the biosynthesis or actions of mineralocorticoids, a class of steroid hormones characterised by their similarity to aldosterone and their influence on salt and water balance." [] subset: 3_STAR is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:50844 name: aldosterone antagonist namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:50843 ! antimineralocorticoid [Term] id: CHEBI:50846 name: immunomodulator namespace: chebi_ontology def: "Biologically active substance whose activity affects or plays a role in the functioning of the immune system." [] subset: 3_STAR synonym: "Biomodulator" RELATED [ChEBI] synonym: "Immune factor" RELATED [ChEBI] synonym: "Immunologic factor" RELATED [ChEBI] synonym: "Immunological factor" RELATED [ChEBI] synonym: "immunomodulators" RELATED [ChEBI] xref: Wikipedia:Immunotherapy is_a: CHEBI:23888 ! drug is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50847 name: immunological adjuvant namespace: chebi_ontology def: "A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity." [] subset: 3_STAR synonym: "Immunoactivator" RELATED [ChEBI] synonym: "Immunoadjuvant" RELATED [ChEBI] synonym: "Immunologic adjuvant" RELATED [ChEBI] synonym: "Immunopotentiator" RELATED [ChEBI] synonym: "Immunostimulant" RELATED [ChEBI] xref: Wikipedia:Immunologic_adjuvant is_a: CHEBI:50846 ! immunomodulator is_a: CHEBI:60809 ! adjuvant [Term] id: CHEBI:50855 name: antiatherogenic agent namespace: chebi_ontology def: "A cardiovascular drug that prevents atherogenesis, the accumulation of lipid-containing plaques on the innermost layers of the arteries. Compare with antiatherosclerotic agent." [] subset: 3_STAR synonym: "anti-atherogenic agent" RELATED [ChEBI] synonym: "anti-atherogenic agents" RELATED [ChEBI] synonym: "anti-atherogenic drug" RELATED [ChEBI] synonym: "anti-atherogenic drugs" RELATED [ChEBI] synonym: "antiatherogenic agent" EXACT [ChEBI] synonym: "antiatherogenic agents" RELATED [ChEBI] synonym: "antiatherogenic drug" RELATED [ChEBI] synonym: "antiatherogenic drugs" RELATED [ChEBI] xref: PMID:14592471 {source="Europe PMC"} xref: PMID:16366593 {source="Europe PMC"} xref: PMID:17990280 {source="Europe PMC"} xref: PMID:20222342 {source="Europe PMC"} xref: PMID:21074432 {source="Europe PMC"} xref: PMID:21172387 {source="Europe PMC"} xref: PMID:21649483 {source="Europe PMC"} xref: PMID:3288054 {source="Europe PMC"} xref: PMID:9796331 {source="Europe PMC"} is_a: CHEBI:35554 ! cardiovascular drug [Term] id: CHEBI:50857 name: anti-allergic agent namespace: chebi_ontology def: "A drug used to treat allergic reactions." [] subset: 3_STAR synonym: "anti-allergic agents" RELATED [ChEBI] synonym: "anti-allergic drug" RELATED [ChEBI] synonym: "anti-allergic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50858 name: corticosteroid namespace: chebi_ontology def: "A natural or synthetic analogue of the hormones secreted by the adrenal gland." [] subset: 3_STAR synonym: "corticoides" RELATED [ChEBI] synonym: "corticosteroides" RELATED [ChEBI] synonym: "corticosteroids" RELATED [ChEBI] is_a: CHEBI:35341 ! steroid [Term] id: CHEBI:50860 name: organic molecular entity namespace: chebi_ontology alt_id: CHEBI:25700 alt_id: CHEBI:33244 def: "Any molecular entity that contains carbon." [] subset: 3_STAR synonym: "organic compounds" RELATED [ChEBI] synonym: "organic entity" RELATED [ChEBI] synonym: "organic molecular entities" RELATED [ChEBI] is_a: CHEBI:33582 ! carbon group molecular entity relationship: has_part CHEBI:27594 ! carbon atom property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50887 name: haloarene namespace: chebi_ontology def: "A compound derived from an arene by replacing a hydrogen atom with a halogen atom." [] subset: 3_STAR synonym: "aryl halide" RELATED [ChEBI] synonym: "aryl halides" RELATED [ChEBI] synonym: "haloarenes" RELATED [ChEBI] is_a: CHEBI:24472 ! halohydrocarbon [Term] id: CHEBI:50893 name: azaarene namespace: chebi_ontology subset: 3_STAR synonym: "azaarenes" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:50902 name: genotoxin namespace: chebi_ontology def: "A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells." [] subset: 3_STAR synonym: "genotoxic agent" RELATED [ChEBI] synonym: "genotoxic agents" RELATED [ChEBI] synonym: "genotoxins" RELATED [ChEBI] xref: Wikipedia:Genotoxicity is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50903 name: carcinogenic agent namespace: chebi_ontology def: "A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities." [] subset: 3_STAR synonym: "agente carcinogeno" RELATED [ChEBI] synonym: "cancerigene" RELATED [ChEBI] synonym: "cancerogene" RELATED [ChEBI] synonym: "carcinogen" RELATED [ChEBI] synonym: "carcinogene" RELATED [ChEBI] synonym: "carcinogenic agents" RELATED [ChEBI] synonym: "carcinogeno" RELATED [ChEBI] synonym: "carcinogens" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50904 name: allergen namespace: chebi_ontology def: "A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy." [] subset: 3_STAR synonym: "alergeno" RELATED [ChEBI] synonym: "allergene" RELATED [ChEBI] synonym: "allergenic agent" RELATED [ChEBI] xref: Wikipedia:Allergen is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50905 name: teratogenic agent namespace: chebi_ontology def: "A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect." [] subset: 3_STAR synonym: "agent teratogene" RELATED [ChEBI] synonym: "teratogen" RELATED [ChEBI] synonym: "teratogeno" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50906 name: role namespace: chebi_ontology def: "A role is particular behaviour which a material entity may exhibit." [] subset: 3_STAR is_a: BFO:0000023 ! role property_value: GENEPIO:0000006 "role (CHEBI)" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:50908 name: hepatotoxic agent namespace: chebi_ontology def: "A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals." [] subset: 3_STAR synonym: "agente hepatotoxico" RELATED [ChEBI] synonym: "hepatotoxic agents" RELATED [ChEBI] synonym: "hepatotoxicant" RELATED [ChEBI] synonym: "hepatotoxicants" RELATED [ChEBI] synonym: "hepatotoxin" RELATED [ChEBI] synonym: "hepatotoxins" RELATED [ChEBI] synonym: "hepatoxic agent" RELATED [ChEBI] synonym: "hepatoxicant" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50909 name: nephrotoxic agent namespace: chebi_ontology def: "A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals." [] subset: 3_STAR synonym: "agente nefrotoxico" RELATED [ChEBI] synonym: "nephrotoxicant" RELATED [ChEBI] is_a: CHEBI:52209 ! aetiopathogenetic role [Term] id: CHEBI:50910 name: neurotoxin namespace: chebi_ontology alt_id: CHEBI:50911 def: "A poison that interferes with the functions of the nervous system." [] subset: 3_STAR synonym: "agente neurotoxico" RELATED [ChEBI] synonym: "nerve poison" RELATED [ChEBI] synonym: "nerve poisons" RELATED [ChEBI] synonym: "neurotoxic agent" RELATED [ChEBI] synonym: "neurotoxic agents" RELATED [ChEBI] synonym: "neurotoxicant" RELATED [ChEBI] synonym: "neurotoxins" RELATED [ChEBI] xref: Wikipedia:Neurotoxin is_a: CHEBI:52209 ! aetiopathogenetic role is_a: CHEBI:64909 ! poison [Term] id: CHEBI:50913 name: fixative namespace: chebi_ontology def: "Any compound used for the purpose of preserving biological tissues from decay in such a way as to allow for the preparation of thin, stained sections for subsequent histological study." [] subset: 3_STAR synonym: "fixating agent" RELATED [ChEBI] synonym: "fixating agents" RELATED [ChEBI] synonym: "fixation agent" RELATED [ChEBI] xref: Wikipedia:Fixation_(histology) is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:50914 name: EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor namespace: chebi_ontology def: "An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol." [] subset: 3_STAR synonym: "1-phosphatidylinositol 3-kinase inhibitor" RELATED [ChEBI] synonym: "1-phosphatidylinositol 3-kinase inhibitors" RELATED [ChEBI] synonym: "ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "ATP:1-phosphatidyl-1D-myo-inositol 3-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.137 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.137 inhibitors" RELATED [ChEBI] synonym: "phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitor" RELATED [ChEBI] synonym: "phosphatidylinositol 3-kinase (EC 2.7.1.137) inhibitors" RELATED [ChEBI] synonym: "phosphatidylinositol 3-kinase inhibitor" RELATED [ChEBI] synonym: "phosphatidylinositol 3-kinase inhibitors" RELATED [ChEBI] synonym: "phosphatidylinositol-3-OH kinase inhibitor" RELATED [ChEBI] synonym: "phosphatidylinositol-3-OH kinase inhibitors" RELATED [ChEBI] synonym: "phosphoinositide 3-kinase inhibitor" RELATED [ChEBI] synonym: "phosphoinositide 3-kinase inhibitors" RELATED [ChEBI] synonym: "PI(3)K inhibitor" RELATED [ChEBI] synonym: "PI(3)K inhibitors" RELATED [ChEBI] synonym: "PI-3 kinase inhibitor" RELATED [ChEBI] synonym: "PI-3 kinase inhibitors" RELATED [ChEBI] synonym: "PI3-kinase inhibitor" RELATED [ChEBI] synonym: "PI3-kinase inhibitors" RELATED [ChEBI] synonym: "PI3K inhibitor" RELATED [ChEBI] synonym: "PI3K inhibitors" RELATED [ChEBI] synonym: "PtdIns-3-kinase inhibitor" RELATED [ChEBI] synonym: "PtdIns-3-kinase inhibitors" RELATED [ChEBI] synonym: "type I phosphatidylinositol kinase inhibitor" RELATED [ChEBI] synonym: "type I phosphatidylinositol kinase inhibitors" RELATED [ChEBI] synonym: "type III phosphoinositide 3-kinase inhibitor" RELATED [ChEBI] synonym: "type III phosphoinositide 3-kinase inhibitors" RELATED [ChEBI] synonym: "Vps34p inhibitor" RELATED [ChEBI] synonym: "Vps34p inhibitors" RELATED [ChEBI] is_a: CHEBI:50916 ! lipid kinase inhibitor is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] id: CHEBI:50916 name: lipid kinase inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of lipid kinases." [] subset: 3_STAR synonym: "lipid kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:50919 name: antiemetic namespace: chebi_ontology def: "A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors." [] subset: 3_STAR synonym: "anti-emetic" RELATED [ChEBI] synonym: "anti-emetics" RELATED [ChEBI] synonym: "antiemetico" RELATED [ChEBI] synonym: "antiemetics" RELATED [ChEBI] xref: Wikipedia:Antiemetic is_a: CHEBI:23888 ! drug [Term] id: CHEBI:50925 name: EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor namespace: chebi_ontology alt_id: CHEBI:75764 def: "An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine." [] subset: 3_STAR synonym: "A-kinase inhibitor" RELATED [ChEBI] synonym: "A-kinase inhibitors" RELATED [ChEBI] synonym: "AP50 kinase inhibitor" RELATED [ChEBI] synonym: "AP50 kinase inhibitors" RELATED [ChEBI] synonym: "ATP-protein transphosphorylase inhibitor" RELATED [ChEBI] synonym: "ATP-protein transphosphorylase inhibitors" RELATED [ChEBI] synonym: "ATP:protein phosphotransferase (non-specific) inhibitor" RELATED [ChEBI] synonym: "ATP:protein phosphotransferase (non-specific) inhibitors" RELATED [ChEBI] synonym: "betaIIPKC inhibitor" RELATED [ChEBI] synonym: "betaIIPKC inhibitors" RELATED [ChEBI] synonym: "BR serine/threonine-protein kinase 2 inhibitor" RELATED [ChEBI] synonym: "BR serine/threonine-protein kinase 2 inhibitors" RELATED [ChEBI] synonym: "calcium-dependent protein kinase C inhibitor" RELATED [ChEBI] synonym: "calcium-dependent protein kinase C inhibitors" RELATED [ChEBI] synonym: "calcium/phospholipid-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "calcium/phospholipid-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "cAMP-dependent protein kinase A inhibitor" RELATED [ChEBI] synonym: "cAMP-dependent protein kinase A inhibitors" RELATED [ChEBI] synonym: "cAMP-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "cAMP-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "casein kinase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "casein kinase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "casein kinase 2 inhibitor" RELATED [ChEBI] synonym: "casein kinase 2 inhibitors" RELATED [ChEBI] synonym: "casein kinase I inhibitor" RELATED [ChEBI] synonym: "casein kinase I inhibitors" RELATED [ChEBI] synonym: "casein kinase II inhibitor" RELATED [ChEBI] synonym: "casein kinase II inhibitors" RELATED [ChEBI] synonym: "casein kinase inhibitor" RELATED [ChEBI] synonym: "casein kinase inhibitors" RELATED [ChEBI] synonym: "cGMP-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "cGMP-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "CK-2 inhibitor" RELATED [ChEBI] synonym: "CK-2 inhibitors" RELATED [ChEBI] synonym: "CKI inhibitor" RELATED [ChEBI] synonym: "CKI inhibitors" RELATED [ChEBI] synonym: "CKII inhibitor" RELATED [ChEBI] synonym: "CKII inhibitors" RELATED [ChEBI] synonym: "cyclic AMP-dependent protein kinase A inhibitor" RELATED [ChEBI] synonym: "cyclic AMP-dependent protein kinase A inhibitors" RELATED [ChEBI] synonym: "cyclic AMP-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "cyclic AMP-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "cyclic monophosphate-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "cyclic monophosphate-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "cyclic nucleotide-dependent protein kinase inhibitor" RELATED [ChEBI] synonym: "cyclic nucleotide-dependent protein kinase inhibitors" RELATED [ChEBI] synonym: "cyclin-dependent kinase inhibitor" RELATED [ChEBI] synonym: "cyclin-dependent kinase inhibitors" RELATED [ChEBI] synonym: "dsk1 inhibitor" RELATED [ChEBI] synonym: "dsk1 inhibitors" RELATED [ChEBI] synonym: "EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.11.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.11.1 inhibitors" RELATED [ChEBI] synonym: "epsilon PKC inhibitor" RELATED [ChEBI] synonym: "epsilon PKC inhibitors" RELATED [ChEBI] synonym: "glycogen synthase a kinase inhibitor" RELATED [ChEBI] synonym: "glycogen synthase a kinase inhibitors" RELATED [ChEBI] synonym: "glycogen synthase kinase inhibitor" RELATED [ChEBI] synonym: "glycogen synthase kinase inhibitors" RELATED [ChEBI] synonym: "HIPK2 inhibitor" RELATED [ChEBI] synonym: "HIPK2 inhibitors" RELATED [ChEBI] synonym: "Hpr kinase inhibitor" RELATED [ChEBI] synonym: "Hpr kinase inhibitors" RELATED [ChEBI] synonym: "hydroxyalkyl-protein kinase inhibitor" RELATED [ChEBI] synonym: "hydroxyalkyl-protein kinase inhibitors" RELATED [ChEBI] synonym: "M phase-specific cdc2 kinase inhibitor" RELATED [ChEBI] synonym: "M phase-specific cdc2 kinase inhibitors" RELATED [ChEBI] synonym: "mitogen-activated S6 kinase inhibitor" RELATED [ChEBI] synonym: "mitogen-activated S6 kinase inhibitors" RELATED [ChEBI] synonym: "MKNK2 inhibitor" RELATED [ChEBI] synonym: "MKNK2 inhibitors" RELATED [ChEBI] synonym: "non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor" RELATED [ChEBI] synonym: "non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors" RELATED [ChEBI] synonym: "non-specific serine/threonine protein kinase inhibitor" RELATED [ChEBI] synonym: "non-specific serine/threonine protein kinase inhibitors" RELATED [ChEBI] synonym: "p21 activated kinase-1 inhibitor" RELATED [ChEBI] synonym: "p21 activated kinase-1 inhibitors" RELATED [ChEBI] synonym: "p82 kinase inhibitor" RELATED [ChEBI] synonym: "p82 kinase inhibitors" RELATED [ChEBI] synonym: "PAK-1 inhibitor" RELATED [ChEBI] synonym: "PAK-1 inhibitors" RELATED [ChEBI] synonym: "PAK1 inhibitor" RELATED [ChEBI] synonym: "PAK1 inhibitors" RELATED [ChEBI] synonym: "phosphorylase b kinase kinase inhibitor" RELATED [ChEBI] synonym: "phosphorylase b kinase kinase inhibitors" RELATED [ChEBI] synonym: "PKA inhibitor" RELATED [ChEBI] synonym: "PKA inhibitors" RELATED [ChEBI] synonym: "protein glutamyl kinase inhibitor" RELATED [ChEBI] synonym: "protein glutamyl kinase inhibitors" RELATED [ChEBI] synonym: "protein kinase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "protein kinase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "protein kinase A inhibitor" RELATED [ChEBI] synonym: "protein kinase A inhibitors" RELATED [ChEBI] synonym: "protein kinase CK2 inhibitor" RELATED [ChEBI] synonym: "protein kinase CK2 inhibitors" RELATED [ChEBI] synonym: "protein kinase p58 inhibitor" RELATED [ChEBI] synonym: "protein kinase p58 inhibitors" RELATED [ChEBI] synonym: "protein phosphokinase inhibitor" RELATED [ChEBI] synonym: "protein phosphokinase inhibitors" RELATED [ChEBI] synonym: "protein serine kinase inhibitor" RELATED [ChEBI] synonym: "protein serine kinase inhibitors" RELATED [ChEBI] synonym: "protein serine-threonine kinase inhibitor" RELATED [ChEBI] synonym: "protein serine-threonine kinase inhibitors" RELATED [ChEBI] synonym: "protein-aspartyl kinase inhibitor" RELATED [ChEBI] synonym: "protein-aspartyl kinase inhibitors" RELATED [ChEBI] synonym: "protein-cysteine kinase inhibitor" RELATED [ChEBI] synonym: "protein-cysteine kinase inhibitors" RELATED [ChEBI] synonym: "protein-serine kinase inhibitor" RELATED [ChEBI] synonym: "protein-serine kinase inhibitors" RELATED [ChEBI] synonym: "protein-serine/threonine kinase inhibitors" RELATED [ChEBI] synonym: "Prp4 protein kinase inhibitor" RELATED [ChEBI] synonym: "Prp4 protein kinase inhibitors" RELATED [ChEBI] synonym: "Raf kinase inhibitor" RELATED [ChEBI] synonym: "Raf kinase inhibitors" RELATED [ChEBI] synonym: "Raf-1 inhibitor" RELATED [ChEBI] synonym: "Raf-1 inhibitors" RELATED [ChEBI] synonym: "ribosomal protein S6 kinase II inhibitor" RELATED [ChEBI] synonym: "ribosomal protein S6 kinase II inhibitors" RELATED [ChEBI] synonym: "ribosomal S6 protein kinase inhibitor" RELATED [ChEBI] synonym: "ribosomal S6 protein kinase inhibitors" RELATED [ChEBI] synonym: "serine kinase inhibitor" RELATED [ChEBI] synonym: "serine kinase inhibitors" RELATED [ChEBI] synonym: "serine protein kinase inhibitor" RELATED [ChEBI] synonym: "serine protein kinase inhibitors" RELATED [ChEBI] synonym: "serine(threonine) protein kinase inhibitor" RELATED [ChEBI] synonym: "serine(threonine) protein kinase inhibitors" RELATED [ChEBI] synonym: "serine-specific protein kinase inhibitor" RELATED [ChEBI] synonym: "serine-specific protein kinase inhibitors" RELATED [ChEBI] synonym: "serine/threonine protein kinase inhibitor" RELATED [ChEBI] synonym: "serine/threonine protein kinase inhibitors" RELATED [ChEBI] synonym: "STK32 inhibitor" RELATED [ChEBI] synonym: "STK32 inhibitors" RELATED [ChEBI] synonym: "T-antigen kinase inhibitor" RELATED [ChEBI] synonym: "T-antigen kinase inhibitors" RELATED [ChEBI] synonym: "threonine-specific protein kinase inhibitor" RELATED [ChEBI] synonym: "threonine-specific protein kinase inhibitors" RELATED [ChEBI] synonym: "twitchin kinase inhibitor" RELATED [ChEBI] synonym: "twitchin kinase inhibitors" RELATED [ChEBI] synonym: "type-2 casein kinase inhibitor" RELATED [ChEBI] synonym: "type-2 casein kinase inhibitors" RELATED [ChEBI] synonym: "Wee 1-like kinase inhibitor" RELATED [ChEBI] synonym: "Wee 1-like kinase inhibitors" RELATED [ChEBI] synonym: "Wee-kinase inhibitor" RELATED [ChEBI] synonym: "Wee-kinase inhibitors" RELATED [ChEBI] synonym: "WEE1Hu inhibitor" RELATED [ChEBI] synonym: "WEE1Hu inhibitors" RELATED [ChEBI] is_a: CHEBI:76812 ! EC 2.7.11.* (protein-serine/threonine kinase) inhibitor [Term] id: CHEBI:50929 name: aziridinium namespace: chebi_ontology subset: 3_STAR synonym: "aziridinium" EXACT IUPAC_NAME [IUPAC] synonym: "aziridinium ion" RELATED [ChEBI] xref: Gmelin:322803 {source="Gmelin"} is_a: CHEBI:37949 ! azacycloalkane is_a: CHEBI:50946 ! aziridinium ion relationship: is_conjugate_acid_of CHEBI:30969 ! aziridine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NOWKCMXCCJGMRR-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.07578" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.04948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C[NH2+]1" xsd:string [Term] id: CHEBI:50946 name: aziridinium ion namespace: chebi_ontology def: "Compounds containing an aziridine ring that contains a quaternary nitrogen atom." [] subset: 3_STAR synonym: "aziridinium ions" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:50949 name: serotonin uptake inhibitor namespace: chebi_ontology def: "A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent." [] subset: 3_STAR synonym: "serotonin reuptake inhibitor" RELATED [ChEBI] synonym: "SSRI" RELATED [ChEBI] xref: Wikipedia:Selective_serotonin_reuptake_inhibitor is_a: CHEBI:48278 ! serotonergic drug [Term] id: CHEBI:50955 name: arsonic acids namespace: chebi_ontology def: "Arsonic acid and its As-hydrocarbyl derivatives." [] subset: 3_STAR synonym: "arsonic acids" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33407 ! arsenic oxoacid [Term] id: CHEBI:50956 name: organoarsonic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "organoarsonic acid anions" RELATED [ChEBI] is_a: CHEBI:33406 ! organoarsenic compound [Term] id: CHEBI:50967 name: non-covalently-bound molecular entity namespace: chebi_ontology def: "Systems consisting of two or more molecular entities held together by non-covalent interactions." [] subset: 3_STAR synonym: "non-covalently-bound molecular entities" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:5097 name: fluazifop-butyl namespace: chebi_ontology def: "A racemate that is the butyl ester of fluazifop. It is used as a post-emergence herbicide for the control grass weeds in various broad-leaved crops." [] subset: 3_STAR synonym: "butyl (RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate" RELATED [Alan_Wood's_Pesticides] synonym: "butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate" RELATED [Alan_Wood's_Pesticides] synonym: "Fluazifop butyl" RELATED [KEGG_COMPOUND] synonym: "Fusilade W" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "rac-butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND44794938 {source="Europe PMC"} xref: AGR:IND92067685 {source="Europe PMC"} xref: CAS:69806-50-4 {source="NIST Chemistry WebBook"} xref: CAS:69806-50-4 {source="Alan Wood's Pesticides"} xref: CAS:69806-50-4 {source="KEGG COMPOUND"} xref: KEGG:C11029 xref: Pesticides:derivatives/fluazifop-butyl {source="Alan Wood's Pesticides"} xref: PMID:1354971 {source="Europe PMC"} xref: PMID:26735732 {source="Europe PMC"} xref: PMID:2708288 {source="Europe PMC"} xref: PMID:8452479 {source="Europe PMC"} xref: Reaxys:1510062 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:132964 ! fluazifop-P-butyl relationship: has_part CHEBI:132965 ! (S)-fluazifop-butyl relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.13444" xsd:string [Term] id: CHEBI:50981 name: secondary aliphatic amine namespace: chebi_ontology subset: 3_STAR synonym: "secondary aliphatic amine" EXACT [ChEBI] synonym: "secondary aliphatic amines" RELATED [ChEBI] is_a: CHEBI:32863 ! secondary amine relationship: is_conjugate_base_of CHEBI:58855 ! secondary aliphatic ammonium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.04120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]CN[*]" xsd:string [Term] id: CHEBI:50990 name: thiazolidinediones namespace: chebi_ontology def: "A thiadiazolidine in which the 1,3-thiazolidine ring is substituted by two oxo groups." [] subset: 3_STAR is_a: CHEBI:35622 ! thiazolidines [Term] id: CHEBI:50994 name: primary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group." [] subset: 3_STAR synonym: "primary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_base_of CHEBI:65296 ! primary ammonium ion [Term] id: CHEBI:50995 name: secondary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "secondary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:50996 name: tertiary amino compound namespace: chebi_ontology def: "A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups." [] subset: 3_STAR synonym: "tertiary amino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound relationship: is_conjugate_base_of CHEBI:137982 ! tertiary ammonium ion [Term] id: CHEBI:51002 name: bis(eta(5)-cyclopentadienyl)metal(II) namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33963 ! metallocene [Term] id: CHEBI:51005 name: ferrocenes namespace: chebi_ontology def: "Compounds containing a ferrocene skeleton." [] subset: 3_STAR is_a: CHEBI:33892 ! iron coordination entity is_a: CHEBI:33963 ! metallocene [Term] id: CHEBI:51026 name: macrocycle namespace: chebi_ontology def: "A cyclic compound containing nine or more atoms as part of the cyclic system." [] subset: 3_STAR synonym: "macrocycle" EXACT IUPAC_NAME [IUPAC] synonym: "macrocycles" RELATED [ChEBI] synonym: "Makrocyclen" RELATED [ChEBI] synonym: "makrocyclische Verbindungen" RELATED [ChEBI] synonym: "Makrozyklen" RELATED [ChEBI] synonym: "makrozyklische Verbindungen" RELATED [ChEBI] xref: Wikipedia:Macrocycle is_a: CHEBI:33595 ! cyclic compound [Term] id: CHEBI:51031 name: organic calcium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic calcium salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:35156 ! calcium salt [Term] id: CHEBI:51039 name: dopamine uptake inhibitor namespace: chebi_ontology def: "A dopaminergic agent that blocks the transport of dopamine into axon terminals or into storage vesicles within terminals. Most of the adrenergic uptake inhibitors also inhibit dopamine uptake." [] subset: 3_STAR synonym: "DARI" RELATED [ChEBI] synonym: "dopamine reuptake inhibitor" RELATED [ChEBI] synonym: "dopamine reuptake inhibitors" RELATED [ChEBI] synonym: "dopamine uptake inhibitors" RELATED [ChEBI] synonym: "DRI" RELATED [ChEBI] xref: Wikipedia:Dopamine_uptake_inhibitor is_a: CHEBI:48560 ! dopaminergic agent [Term] id: CHEBI:51041 name: acamprosate namespace: chebi_ontology def: "An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3." [] subset: 3_STAR synonym: "3-Acetamido-1-propanesulfonic acid" RELATED [DrugBank] synonym: "3-acetamidopropane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acamprosate" RELATED INN [ChEBI] synonym: "acamprosato" RELATED INN [ChEBI] synonym: "acamprosatum" RELATED INN [ChEBI] synonym: "N-Acetylhomotaurine" RELATED [ChemIDplus] xref: CAS:77337-76-9 {source="ChemIDplus"} xref: Drug_Central:38 {source="DrugCentral"} xref: DrugBank:DB00659 xref: KEGG:D07058 xref: Reaxys:9618349 {source="Reaxys"} xref: Wikipedia:Acamprosate is_a: CHEBI:22160 ! acetamides is_a: CHEBI:33551 ! organosulfonic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35942 ! neurotransmitter agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFCGFAGUEYAMAO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.21118" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.04088" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)NCCCS(O)(=O)=O" xsd:string [Term] id: CHEBI:51050 name: titanium dioxide nanoparticle namespace: chebi_ontology def: "A nanoparticle consisting of titanium dioxide." [] subset: 3_STAR synonym: "TiO2 nanoparticle" RELATED [ChEBI] is_a: CHEBI:134441 ! titanium oxide nanoparticle is_a: CHEBI:32234 ! titanium dioxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.866" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.93778" xsd:string [Term] id: CHEBI:51060 name: hormone agonist namespace: chebi_ontology def: "A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR is_a: CHEBI:48705 ! agonist is_a: CHEBI:51061 ! hormone receptor modulator [Term] id: CHEBI:51061 name: hormone receptor modulator namespace: chebi_ontology def: "A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." [] subset: 3_STAR synonym: "hormone receptor modulators" RELATED [ChEBI] is_a: CHEBI:90710 ! receptor modulator [Term] id: CHEBI:51067 name: tetraphenes namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:51069 name: organic halide salt namespace: chebi_ontology subset: 3_STAR synonym: "organic halide salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51076 name: antifouling biocide namespace: chebi_ontology def: "A compound that inhibits the growth of marine organisms." [] subset: 3_STAR synonym: "Antifoulant" RELATED [ChEBI] synonym: "Antifouling agent" RELATED [ChEBI] synonym: "Marine pesticide" RELATED [ChEBI] is_a: CHEBI:25944 ! pesticide [Term] id: CHEBI:51080 name: nitrate ester namespace: chebi_ontology def: "Any member of the class of nitrates resulting from the esterification of nitric acid with an alcohol." [] subset: 3_STAR synonym: "nitrate esters" RELATED [ChEBI] xref: Wikipedia:Nitrate_ester is_a: CHEBI:36963 ! organooxygen compound is_a: CHEBI:51081 ! nitrates [Term] id: CHEBI:51081 name: nitrates namespace: chebi_ontology alt_id: CHEBI:25544 subset: 1_STAR is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_functional_parent CHEBI:48107 ! nitric acid [Term] id: CHEBI:51082 name: nitrate salt is_a: CHEBI:24866 ! salt [Term] id: CHEBI:51084 name: inorganic nitrate salt is_a: CHEBI:24839 ! inorganic salt is_a: CHEBI:51082 ! nitrate salt [Term] id: CHEBI:51086 name: chemical role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof within a chemical context." [] subset: 3_STAR is_a: BFO:0000023 ! role is_a: CHEBI:50906 ! role property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51119 name: tricyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "tricyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33666 ! polycyclic hydrocarbon [Term] id: CHEBI:51121 name: fluorescent dye namespace: chebi_ontology subset: 3_STAR synonym: "fluorescent dyes" RELATED [ChEBI] is_a: CHEBI:37958 ! dye [Term] id: CHEBI:51129 name: nitrohydrocarbon namespace: chebi_ontology def: "A C-nitro compound that is a hydrocarbon in which one or more of the hydrogens has been replaced by nitro groups." [] subset: 3_STAR synonym: "nitrohydrocarbons" RELATED [ChEBI] xref: PMCID:PMC3909368 {source="Europe PMC"} is_a: CHEBI:35716 ! C-nitro compound [Term] id: CHEBI:51132 name: nitroarene namespace: chebi_ontology def: "A nitrohydrocarbon that consists of an arene skeleton substituted by one or more nitro groups at unspecified positions." [] subset: 3_STAR synonym: "nitroarenes" RELATED [ChEBI] is_a: CHEBI:51129 ! nitrohydrocarbon [Term] id: CHEBI:51143 name: nitrogen molecular entity namespace: chebi_ontology alt_id: CHEBI:25556 alt_id: CHEBI:7594 comment: LanguaL term definition: Food additive; technological purpose(s): packaging gas, propellant. subset: 3_STAR synonym: "nitrogen compounds" RELATED [ChEBI] synonym: "nitrogen molecular entities" RELATED [ChEBI] synonym: "Nitrogenous compounds" RELATED [KEGG_COMPOUND] xref: Codex:\:941 xref: Europe:\:941 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3173 xref: KEGG:C06061 is_a: CHEBI:33302 ! pnictogen molecular entity is_a: FOODON:03412972 ! food additive relationship: has_part CHEBI:25555 ! nitrogen atom property_value: IAO:0000118 "nitrogen" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51144 name: nitrogen group namespace: chebi_ontology subset: 3_STAR synonym: "nitrogen group" EXACT [ChEBI] synonym: "nitrogen groups" RELATED [ChEBI] synonym: "nitrogen-containing group" RELATED [ChEBI] synonym: "nitrogenous group" RELATED [ChEBI] is_a: CHEBI:24433 ! group [Term] id: CHEBI:5115 name: monofluorobenzene namespace: chebi_ontology def: "The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent." [] subset: 3_STAR synonym: "Fluorbenzol" RELATED [ChEBI] synonym: "Fluorobenzene" RELATED [KEGG_COMPOUND] synonym: "fluorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "monofluorobenzene" EXACT [NIST_Chemistry_WebBook] synonym: "phenyl fluoride" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1236623 {source="Beilstein"} xref: CAS:462-06-6 {source="NIST Chemistry WebBook"} xref: CAS:462-06-6 {source="ChemIDplus"} xref: CAS:462-06-6 {source="KEGG COMPOUND"} xref: Gmelin:49856 {source="Gmelin"} xref: KEGG:C11272 xref: Patent:CN101224914 xref: Patent:US4390740 xref: PMID:22976426 {source="Europe PMC"} xref: PMID:24060903 {source="Europe PMC"} xref: Reaxys:1236623 {source="Reaxys"} xref: Wikipedia:Fluorobenzene is_a: CHEBI:83575 ! monofluorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.10230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.03753" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccccc1" xsd:string [Term] id: CHEBI:51151 name: dipolar compound namespace: chebi_ontology def: "An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case." [] subset: 3_STAR synonym: "dipolar compounds" RELATED [ChEBI] is_a: CHEBI:72695 ! organic molecule [Term] id: CHEBI:51177 name: antitussive namespace: chebi_ontology def: "An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration." [] subset: 3_STAR synonym: "anti-tussive" RELATED [ChEBI] synonym: "cough suppressant" RELATED [ChEBI] synonym: "cough suppressants" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:5118 name: fluoxetine namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder." [] subset: 3_STAR synonym: "(+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine" RELATED [ChemIDplus] synonym: "(+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine" RELATED [ChemIDplus] synonym: "fluoxetina" RELATED INN [ChemIDplus] synonym: "fluoxetine" RELATED INN [WHO_MedNet] synonym: "fluoxetine" RELATED INN [KEGG_DRUG] synonym: "fluoxetinum" RELATED INN [ChemIDplus] synonym: "Prozac" RELATED BRAND_NAME [DrugBank] synonym: "rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:39914106 {source="Beilstein"} xref: CAS:54910-89-3 {source="KEGG DRUG"} xref: CAS:54910-89-3 {source="ChemIDplus"} xref: DrugBank:DB00472 xref: HMDB:HMDB0014615 xref: KEGG:D00326 xref: Patent:DE2500110 xref: Patent:US4314081 xref: PMID:19144769 {source="Europe PMC"} xref: PMID:22903652 {source="Europe PMC"} xref: PMID:22923967 {source="Europe PMC"} xref: PMID:23885544 {source="Europe PMC"} xref: PMID:24184049 {source="Europe PMC"} xref: PMID:24399719 {source="Europe PMC"} xref: PMID:24464553 {source="Europe PMC"} xref: PMID:24997906 {source="Europe PMC"} xref: PMID:25448156 {source="Europe PMC"} xref: PMID:25639887 {source="Europe PMC"} xref: PMID:25671301 {source="Europe PMC"} xref: PMID:8694321 {source="Europe PMC"} xref: Reaxys:3991406 {source="Reaxys"} xref: Wikipedia:Fluoxetine is_a: CHEBI:60911 ! racemate relationship: has_functional_parent CHEBI:36810 ! (trifluoromethyl)benzene relationship: has_part CHEBI:86991 ! (R)-fluoxetine relationship: has_part CHEBI:86992 ! (S)-fluoxetine relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.32610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.13405" xsd:string [Term] id: CHEBI:51214 name: diamminedichloroplatinum namespace: chebi_ontology subset: 3_STAR synonym: "diammine(dichloro)platinum" RELATED [ChEBI] synonym: "diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "diammineplatinum dichloride" RELATED [NIST_Chemistry_WebBook] xref: CAS:14913-33-8 {source="NIST Chemistry WebBook"} xref: Gmelin:101110 {source="Gmelin"} is_a: CHEBI:33862 ! platinum coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2H6N2Pt" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.95559" xsd:string [Term] id: CHEBI:51217 name: fluorochrome namespace: chebi_ontology def: "A fluorescent dye used to stain biological specimens." [] subset: 3_STAR synonym: "fluorochromes" RELATED [ChEBI] is_a: CHEBI:51121 ! fluorescent dye [Term] id: CHEBI:51269 name: acenes namespace: chebi_ontology def: "Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives." [] subset: 3_STAR is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:51270 name: tetracenes namespace: chebi_ontology def: "Compounds containing a tetracene skeleton." [] subset: 3_STAR synonym: "naphthacenes" RELATED [ChEBI] is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:51276 name: thioureas namespace: chebi_ontology def: "Compounds of general formula RR'NC(=S)NR''R'''." [] subset: 3_STAR is_a: CHEBI:50492 ! thiocarbonyl compound [Term] id: CHEBI:51277 name: thioester namespace: chebi_ontology def: "A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'." [] subset: 3_STAR synonym: "thio ester" RELATED [ChEBI] synonym: "thioesters" RELATED [ChEBI] synonym: "thiol ester" RELATED [ChEBI] is_a: CHEBI:26959 ! thiocarboxylic ester is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COSR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.07500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.96699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)S[*]" xsd:string [Term] id: CHEBI:51280 name: S-methyl thioacetate namespace: chebi_ontology alt_id: CHEBI:38533 alt_id: CHEBI:51279 subset: 3_STAR synonym: "CH3C(O)SCH3" RELATED [NIST_Chemistry_WebBook] synonym: "ethanethioic acid, S-methyl ester" RELATED [ChemIDplus] synonym: "methanethiol acetate" RELATED [ChemIDplus] synonym: "methyl ethanethioate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl thioacetate" RELATED [ChemIDplus] synonym: "methylthioacetate" RELATED [ChemIDplus] synonym: "S-methyl ethanethioate" EXACT IUPAC_NAME [IUPAC] synonym: "thioacetic acid S-methyl ester" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1736664 {source="Beilstein"} xref: CAS:1534-08-3 {source="NIST Chemistry WebBook"} xref: CAS:1534-08-3 {source="ChemIDplus"} xref: Gmelin:1316927 {source="Gmelin"} is_a: CHEBI:51277 ! thioester relationship: has_functional_parent CHEBI:16555 ! ethanethioic S-acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OATSQCXMYKYFQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.14514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.01394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSC(C)=O" xsd:string [Term] id: CHEBI:51285 name: acenoquinone namespace: chebi_ontology def: "Quinones containing an acene fused ring system." [] subset: 3_STAR synonym: "acenoquinone" EXACT [ChEBI] synonym: "acenoquinones" RELATED [ChEBI] is_a: CHEBI:36141 ! quinone is_a: CHEBI:51269 ! acenes [Term] id: CHEBI:51286 name: tetracenequinones namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:51285 ! acenoquinone is_a: CHEBI:51958 ! organic polycyclic compound [Term] id: CHEBI:51307 name: diester namespace: chebi_ontology def: "A diester is a compound containing two ester groups." [] subset: 3_STAR synonym: "diester" EXACT [ChEBI] synonym: "diesters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester [Term] id: CHEBI:51308 name: dinitrile namespace: chebi_ontology def: "A dinitrile is a compound containing two nitrile groups." [] subset: 3_STAR synonym: "dinitrile" EXACT [ChEBI] synonym: "dinitriles" RELATED [ChEBI] is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:51311 name: bromoethene namespace: chebi_ontology subset: 3_STAR synonym: "1-bromoethylene" RELATED [NIST_Chemistry_WebBook] synonym: "bromoethene" EXACT IUPAC_NAME [IUPAC] synonym: "bromoethylene" RELATED [ChemIDplus] synonym: "bromure de vinyle" RELATED [ChemIDplus] synonym: "C2H3Br" RELATED [NIST_Chemistry_WebBook] synonym: "monobromoethylene" RELATED [ChemIDplus] synonym: "vinyl bromide" RELATED [ChemIDplus] synonym: "Vinylbromid" RELATED [ChemIDplus] xref: Beilstein:1361370 {source="Beilstein"} xref: CAS:593-60-2 {source="NIST Chemistry WebBook"} xref: CAS:593-60-2 {source="ChemIDplus"} xref: CAS:593-60-2 {source="KEGG COMPOUND"} xref: Gmelin:25458 {source="Gmelin"} xref: KEGG:C19184 is_a: CHEBI:51313 ! monohaloethene is_a: CHEBI:51328 ! bromoalkene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "INLLPKCGLOXCIV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.94922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.94181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "BrC=C" xsd:string [Term] id: CHEBI:51313 name: monohaloethene namespace: chebi_ontology def: "A haloethene in which only one of the hydrogen atoms in ethene is replaced by a halogen atom." [] subset: 3_STAR synonym: "haloethene" RELATED [ChEBI] synonym: "monohaloethenes" RELATED [ChEBI] synonym: "vinyl halide" RELATED [ChEBI] synonym: "vinyl halides" RELATED [ChEBI] is_a: CHEBI:51316 ! haloethene [Term] id: CHEBI:51314 name: fluoroethene namespace: chebi_ontology subset: 3_STAR synonym: "1-fluoroethylene" RELATED [NIST_Chemistry_WebBook] synonym: "fluoroethene" EXACT IUPAC_NAME [IUPAC] synonym: "fluoroethylene" RELATED [ChemIDplus] synonym: "monofluoroethene" RELATED [ChemIDplus] synonym: "monofluoroethylene" RELATED [NIST_Chemistry_WebBook] synonym: "vinyl fluoride" RELATED [ChemIDplus] xref: Beilstein:1731574 {source="ChemIDplus"} xref: CAS:75-02-5 {source="ChemIDplus"} xref: CAS:75-02-5 {source="NIST Chemistry WebBook"} xref: CAS:75-02-5 {source="KEGG COMPOUND"} xref: Gmelin:130238 {source="Gmelin"} xref: KEGG:C19185 is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:51313 ! monohaloethene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3F/c1-2-3/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUCNUKMRBVNAPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.04362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.02188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC=C" xsd:string [Term] id: CHEBI:51316 name: haloethene namespace: chebi_ontology def: "A compound derived from ethene by replacing one or more hydrogen atoms with halogen atoms." [] subset: 3_STAR synonym: "haloethene" EXACT [ChEBI] synonym: "haloethenes" RELATED [ChEBI] is_a: CHEBI:5610 ! haloalkene relationship: has_parent_hydride CHEBI:18153 ! ethene [Term] id: CHEBI:51324 name: vinylarene namespace: chebi_ontology def: "A vinyl-substituted arene." [] subset: 3_STAR is_a: CHEBI:33658 ! arene [Term] id: CHEBI:51328 name: bromoalkene namespace: chebi_ontology def: "A compound derived from an alkene by replacing a hydrogen atom with a bromine atom." [] subset: 3_STAR synonym: "bromoalkenes" RELATED [ChEBI] is_a: CHEBI:22926 ! bromohydrocarbon is_a: CHEBI:5610 ! haloalkene [Term] id: CHEBI:51349 name: polyamine macromolecule namespace: chebi_ontology alt_id: CHEBI:26176 alt_id: CHEBI:8301 def: "A macromolecule composed of units connected by imino (-NR-) linkages." [] subset: 3_STAR synonym: "poly(amine)" RELATED [ChEBI] synonym: "poly(amine)s" RELATED [ChEBI] synonym: "Polyamine" RELATED [KEGG_COMPOUND] synonym: "polyamine" EXACT IUPAC_NAME [IUPAC] synonym: "polyamine" RELATED [ChEBI] synonym: "polyamines" RELATED [ChEBI] xref: CAS:27308-78-7 {source="KEGG COMPOUND"} xref: KEGG:C06702 is_a: CHEBI:33839 ! macromolecule is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:5135 name: fluvalinate namespace: chebi_ontology subset: 3_STAR synonym: "cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate" EXACT IUPAC_NAME [IUPAC] synonym: "Fluvalinate" EXACT [KEGG_COMPOUND] xref: CAS:69409-94-5 {source="KEGG COMPOUND"} xref: KEGG:C10989 xref: Patent:DE2812169 xref: PPDB:1720 xref: VSDB:1720 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:25705 ! organochlorine insecticide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38657 ! organochlorine acaricide is_a: CHEBI:38804 ! organofluorine insecticide is_a: CHEBI:38806 ! organofluorine acaricide is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_functional_parent CHEBI:27266 ! valine relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide relationship: has_role CHEBI:39259 ! pyrethroid ester acaricide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C26H22ClF3N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "INISTDXBRIBGOC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "502.91300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "502.12710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1" xsd:string [Term] id: CHEBI:51361 name: benzotriazines namespace: chebi_ontology def: "Compounds based on a fused triazine and benzene ring skeleton." [] subset: 3_STAR is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:51371 name: muscle relaxant namespace: chebi_ontology def: "A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis." [] subset: 3_STAR synonym: "muscle relaxants" RELATED [ChEBI] is_a: CHEBI:51372 ! neuromuscular agent [Term] id: CHEBI:51372 name: neuromuscular agent namespace: chebi_ontology def: "A drug used for its actions on skeletal muscle." [] subset: 3_STAR is_a: CHEBI:23888 ! drug [Term] id: CHEBI:51373 name: GABA agonist namespace: chebi_ontology def: "A drug that binds to and activates gamma-aminobutyric acid receptors." [] subset: 3_STAR synonym: "GABA agonists" RELATED [ChEBI] synonym: "GABA receptor agonist" RELATED [ChEBI] synonym: "GABA receptor agonists" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor agonist" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:51374 name: GABA agent namespace: chebi_ontology def: "A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems." [] subset: 3_STAR is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:51384 name: D-ascorbic acid namespace: chebi_ontology subset: 3_STAR synonym: "(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "D-lyxoascorbic acid" RELATED [ChEBI] synonym: "D-threo-hex-2-enoic acid gamma-lactone" RELATED [ChEBI] synonym: "D-threo-hex-2-enono-1,4-lactone" EXACT IUPAC_NAME [IUPAC] synonym: "D-xyloascorbic acid" RELATED [ChEBI] xref: Beilstein:84273 {source="Beilstein"} xref: CAS:10504-35-5 {source="ChemIDplus"} is_a: CHEBI:22652 ! ascorbic acid relationship: is_enantiomer_of CHEBI:29073 ! L-ascorbic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIWBSHSKHKDKBQ-MVHIGOERSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.12412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.03209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(OC(=O)C(O)=C1O)[C@H](O)CO" xsd:string [Term] id: CHEBI:51396 name: dinitrobenzene namespace: chebi_ontology def: "Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class." [] subset: 3_STAR synonym: "dinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "Dinitrobenzol" RELATED [ChEBI] xref: Wikipedia:Dinitrobenzene is_a: CHEBI:48109 ! nitrobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.01711" xsd:string [Term] id: CHEBI:51397 name: 1,3-dinitrobenzene namespace: chebi_ontology alt_id: CHEBI:44536 def: "A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups." [] subset: 3_STAR synonym: "1,3-dinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-dinitrobenzene" EXACT [UniProt] synonym: "1,3-Dinitrobenzol" RELATED [ChemIDplus] synonym: "2,4-Dinitrobenzene" RELATED [ChemIDplus] synonym: "DINITROPHENYLENE" RELATED [PDBeChem] synonym: "m-Dinitrobenzene" RELATED [ChemIDplus] synonym: "m-DNB" RELATED [ChemIDplus] synonym: "meta-Dinitrobenzene" RELATED [ChemIDplus] xref: Beilstein:1105654 {source="Beilstein"} xref: CAS:99-65-0 {source="ChemIDplus"} xref: MetaCyc:13-DINITROBENZENE xref: PDBeChem:NIN xref: PMID:12119003 {source="Europe PMC"} xref: PMID:7744316 {source="Europe PMC"} xref: PMID:9291486 {source="Europe PMC"} xref: PPDB:1637 xref: Reaxys:1105654 {source="Reaxys"} is_a: CHEBI:51396 ! dinitrobenzene relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WDCYWAQPCXBPJA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.10700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.01711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cccc(c1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:51398 name: 1,4-dinitrobenzene namespace: chebi_ontology def: "A dinitrobenzene carrying nitro groups at positions 1 and 4." [] subset: 3_STAR synonym: "1,4-dinitrobenzene" EXACT [UniProt] synonym: "1,4-dinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "p-Dinitrobenzene" RELATED [ChemIDplus] xref: Beilstein:1105828 {source="Beilstein"} xref: CAS:100-25-4 {source="ChemIDplus"} xref: PMID:24752547 {source="Europe PMC"} xref: PMID:749274 {source="Europe PMC"} xref: Reaxys:1105828 {source="Reaxys"} is_a: CHEBI:51396 ! dinitrobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYFDQJRXFWGIBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.10700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.01711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:51402 name: phenylenediamine namespace: chebi_ontology def: "A benzene substituted with two amino groups." [] subset: 3_STAR synonym: "benzenediamine" EXACT IUPAC_NAME [IUPAC] synonym: "diaminobenzene" RELATED [ChEBI] is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:35410 ! primary diamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.141" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.06875" xsd:string [Term] id: CHEBI:51403 name: 1,4-phenylenediamine namespace: chebi_ontology alt_id: CHEBI:521550 def: "A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus." [] subset: 3_STAR synonym: "1,4-Benzenediamine" RELATED [ChemIDplus] synonym: "1,4-Benzenediamine" RELATED [KEGG_COMPOUND] synonym: "1,4-diaminobenzene" RELATED [ChEBI] synonym: "4-Aminoaniline" RELATED [ChemIDplus] synonym: "4-phenylenediamine" RELATED [ChEMBL] synonym: "benzene-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "p-Diaminobenzene" RELATED [ChemIDplus] synonym: "p-Phenylenediamine" RELATED [ChemIDplus] synonym: "p-phenylenediamine base" RELATED [ChEBI] synonym: "para-phenylenediamine" RELATED [ChEBI] synonym: "paraphenylene-diamine" RELATED [ChEBI] synonym: "paraphenylenediamine" RELATED [ChEBI] synonym: "PPD" RELATED [ChEBI] synonym: "PPDA" RELATED [ChEBI] synonym: "pPDA" RELATED [ChEBI] xref: Beilstein:749029 {source="Beilstein"} xref: CAS:106-50-3 {source="KEGG COMPOUND"} xref: CAS:106-50-3 {source="ChemIDplus"} xref: CAS:106-50-3 {source="NIST Chemistry WebBook"} xref: Chemspider:13835179 xref: DrugBank:DB14141 xref: HMDB:HMDB0256055 xref: KEGG:C19499 xref: PMID:10694312 {source="Europe PMC"} xref: PMID:10771133 {source="Europe PMC"} xref: PMID:11495521 {source="Europe PMC"} xref: PMID:1395635 {source="Europe PMC"} xref: PMID:15462465 {source="Europe PMC"} xref: PMID:17256041 {source="Europe PMC"} xref: PMID:17827020 {source="ChEMBL"} xref: PMID:18837732 {source="Europe PMC"} xref: PMID:18844695 {source="Europe PMC"} xref: PMID:19099270 {source="Europe PMC"} xref: PMID:19469519 {source="Europe PMC"} xref: PMID:19958436 {source="Europe PMC"} xref: PMID:20565505 {source="Europe PMC"} xref: PMID:21616561 {source="Europe PMC"} xref: PMID:23257336 {source="Europe PMC"} xref: PMID:23510340 {source="Europe PMC"} xref: PMID:24385090 {source="Europe PMC"} xref: PMID:8254706 {source="Europe PMC"} xref: PMID:8735869 {source="Europe PMC"} xref: PMID:9540973 {source="Europe PMC"} xref: Reaxys:749029 {source="Reaxys"} xref: Wikipedia:P-Phenylenediamine is_a: CHEBI:51402 ! phenylenediamine relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:37958 ! dye relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CBCKQZAAMUWICA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.14120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(N)cc1" xsd:string [Term] id: CHEBI:51422 name: organodiyl group namespace: chebi_ontology def: "Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s)." [] subset: 3_STAR synonym: "organodiyl groups" RELATED [ChEBI] is_a: CHEBI:51446 ! organic divalent group [Term] id: CHEBI:51446 name: organic divalent group namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51447 name: organic univalent group namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:51451 name: endothelin receptor antagonist namespace: chebi_ontology def: "A hormone antagonist that blocks endothelin receptors." [] subset: 3_STAR synonym: "ERA" RELATED [ChEBI] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:51454 name: cyclopropanes namespace: chebi_ontology def: "Cyclopropane and its derivatives formed by substitution." [] subset: 3_STAR is_a: CHEBI:33598 ! carbocyclic compound [Term] id: CHEBI:51518 name: halometallate anion namespace: chebi_ontology def: "An anionic coordination entity where halido ligands are coordinated to a metal centre." [] subset: 3_STAR synonym: "halometallate anions" RELATED [ChEBI] is_a: CHEBI:33240 ! coordination entity is_a: CHEBI:33273 ! polyatomic anion [Term] id: CHEBI:51519 name: perhalometallate anion namespace: chebi_ontology def: "A halometallate anion where all of the ligands coordinated to the metal atom are halido ligands." [] subset: 3_STAR synonym: "perhalometallate anions" RELATED [ChEBI] is_a: CHEBI:51518 ! halometallate anion [Term] id: CHEBI:51527 name: fluorometallate anion namespace: chebi_ontology def: "An anionic coordination entity where fluorido ligands are coordinated to a metal centre." [] subset: 3_STAR synonym: "fluoridometallate anion" RELATED [ChEBI] synonym: "fluorometallate anions" RELATED [ChEBI] is_a: CHEBI:51518 ! halometallate anion [Term] id: CHEBI:51528 name: perfluorometallate anion namespace: chebi_ontology def: "An anionic coordination entity where all of the ligands coordinated to the metal atom are fluorido ligands." [] subset: 3_STAR synonym: "perfluorometallate anions" RELATED [ChEBI] is_a: CHEBI:51519 ! perhalometallate anion is_a: CHEBI:51527 ! fluorometallate anion [Term] id: CHEBI:51529 name: halometallate salt namespace: chebi_ontology def: "A salt where the anion is a halometallate anion." [] subset: 3_STAR synonym: "halometallate salts" RELATED [ChEBI] is_a: CHEBI:24866 ! salt relationship: has_part CHEBI:51518 ! halometallate anion [Term] id: CHEBI:51530 name: perhalometallate salt namespace: chebi_ontology def: "A salt where the anion is a perhalometallate anion." [] subset: 3_STAR synonym: "perhalometallate salts" RELATED [ChEBI] is_a: CHEBI:51529 ! halometallate salt relationship: has_part CHEBI:51519 ! perhalometallate anion [Term] id: CHEBI:51531 name: perfluorometallate salt namespace: chebi_ontology def: "A salt where the anion is a perfluorometallate anion." [] subset: 3_STAR synonym: "perfluorometallate salts" RELATED [ChEBI] is_a: CHEBI:51530 ! perhalometallate salt is_a: CHEBI:51532 ! fluorometallate salt relationship: has_part CHEBI:51528 ! perfluorometallate anion [Term] id: CHEBI:51532 name: fluorometallate salt namespace: chebi_ontology def: "A salt where the anion is an fluorometallate anion." [] subset: 3_STAR synonym: "fluoridometallate salt" RELATED [ChEBI] synonym: "fluorometallate salts" RELATED [ChEBI] is_a: CHEBI:51529 ! halometallate salt relationship: has_part CHEBI:51527 ! fluorometallate anion [Term] id: CHEBI:51545 name: 1,2-benzoxazoles namespace: chebi_ontology def: "Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the O atom positioned adjacent to one of the positions of ring fusion." [] subset: 3_STAR is_a: CHEBI:51549 ! benzisoxazole [Term] id: CHEBI:51549 name: benzisoxazole namespace: chebi_ontology def: "Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton." [] subset: 3_STAR synonym: "benzisoxazoles" RELATED [ChEBI] is_a: CHEBI:46700 ! benzoxazole [Term] id: CHEBI:51569 name: N-acyl-amino acid namespace: chebi_ontology alt_id: CHEBI:21653 alt_id: CHEBI:22226 def: "A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid." [] subset: 3_STAR synonym: "acyl-amino-acid" RELATED [ChEBI] synonym: "acyl-amino-acids" RELATED [ChEBI] synonym: "acylamino acids" RELATED [ChEBI] synonym: "N-acyl amino acid" RELATED [ChEBI] synonym: "N-acyl amino acids" RELATED [ChEBI] synonym: "N-acyl-amino-acid" RELATED [ChEBI] synonym: "N-acyl-amino-acids" RELATED [ChEBI] synonym: "N-acylamino acid" RELATED [ChEBI] synonym: "N-acylamino acids" RELATED [ChEBI] is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:33709 ! amino acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51570 name: biotins namespace: chebi_ontology def: "Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton." [] subset: 3_STAR is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:38295 ! azabicycloalkane is_a: CHEBI:38297 ! thiabicycloalkane is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:51580 name: phthalocyanines is_a: CHEBI:36309 ! cyclic tetrapyrrole [Term] id: CHEBI:51584 name: metallophthalocyanines is_a: CHEBI:33909 ! metallotetrapyrrole is_a: CHEBI:51580 ! phthalocyanines [Term] id: CHEBI:51585 name: metallophthalocyanine is_a: CHEBI:51584 ! metallophthalocyanines [Term] id: CHEBI:51614 name: diarylmethane namespace: chebi_ontology def: "Any compound containing two aryl groups connected by a single C atom." [] subset: 3_STAR synonym: "diarylmethanes" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:51683 name: methoxybenzenes namespace: chebi_ontology def: "Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups." [] subset: 3_STAR synonym: "methoxybenzene" RELATED [ChEBI] is_a: CHEBI:22712 ! benzenes is_a: CHEBI:35618 ! aromatic ether [Term] id: CHEBI:51685 name: diborane namespace: chebi_ontology def: "Boranes containing only two B atoms, linked either directly by a B-B bond or via hydrogen bridging atoms." [] subset: 3_STAR synonym: "diboranes" RELATED [ChEBI] is_a: CHEBI:33589 ! boranes [Term] id: CHEBI:51688 name: enal namespace: chebi_ontology def: "An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "enals" RELATED [ChEBI] is_a: CHEBI:51718 ! alpha,beta-unsaturated aldehyde is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3HOR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "53.03940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "53.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C(\\[*])=C(/[*])[*]" xsd:string [Term] id: CHEBI:51689 name: enone namespace: chebi_ontology def: "An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "enones" RELATED [ChEBI] xref: Wikipedia:Enone is_a: CHEBI:51721 ! alpha,beta-unsaturated ketone is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3OR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "52.03150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "51.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=C(\\[*])C([*])=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51702 name: enoate ester namespace: chebi_ontology def: "An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "enoate" RELATED [ChEBI] synonym: "enoate esters" RELATED [ChEBI] synonym: "enoates" RELATED [ChEBI] is_a: CHEBI:51737 ! alpha,beta-unsaturated carboxylic ester is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.03090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "67.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=C(\\[*])C(=O)O[*]" xsd:string [Term] id: CHEBI:51718 name: alpha,beta-unsaturated aldehyde namespace: chebi_ontology def: "An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position." [] subset: 3_STAR synonym: "alpha,beta-unsaturated aldehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:51721 name: alpha,beta-unsaturated ketone namespace: chebi_ontology def: "A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position." [] subset: 3_STAR synonym: "alpha,beta-unsaturated ketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51737 name: alpha,beta-unsaturated carboxylic ester namespace: chebi_ontology def: "A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position." [] subset: 3_STAR synonym: "alpha,beta-unsaturated carboxylic esters" RELATED [ChEBI] is_a: CHEBI:33308 ! carboxylic ester [Term] id: CHEBI:51750 name: alpha,beta-unsaturated carboxylic acid amide namespace: chebi_ontology def: "A monocarboxylic amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) or R(1)C#C-C(=O)NR(2)R(3) in which the amide C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position." [] subset: 3_STAR synonym: "alpha,beta-unsaturated amide" RELATED [ChEBI] synonym: "alpha,beta-unsaturated carboxamide" RELATED [ChEBI] synonym: "alpha,beta-unsaturated monocarboxylic acid amide" RELATED [ChEBI] synonym: "alpha,beta-unsaturated monocarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:51751 name: enamide namespace: chebi_ontology def: "An alpha,beta-unsaturated carboxylic acid amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5) in which the amide C=O function is conjugated to a C=C double bond at the alpha,beta position." [] subset: 3_STAR synonym: "enamides" RELATED [ChEBI] is_a: CHEBI:51750 ! alpha,beta-unsaturated carboxylic acid amide is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3NOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "66.03820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "65.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]\\C([*])=C(\\[*])C(=O)N([*])[*]" xsd:string [Term] id: CHEBI:51851 name: ketonitrile namespace: chebi_ontology def: "A compound containing both ketone and nitrile functionalities." [] subset: 3_STAR synonym: "ketonitriles" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone is_a: CHEBI:18379 ! nitrile [Term] id: CHEBI:51852 name: alpha-ketonitrile namespace: chebi_ontology def: "A ketonitrile where the ketone and nitrile functionalities are on adjacent atoms." [] subset: 3_STAR synonym: "alpha-ketonitriles" RELATED [ChEBI] is_a: CHEBI:51851 ! ketonitrile [Term] id: CHEBI:51856 name: methylphenidate(1+) namespace: chebi_ontology subset: 3_STAR synonym: "2-(2-methoxy-2-oxo-1-phenylethyl)piperidinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:6887 ! methylphenidate property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H20NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUGOZIWVEXMGBE-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.31414" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "234.14886" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C(C1CCCC[NH2+]1)c1ccccc1" xsd:string [Term] id: CHEBI:51857 name: methyl (S)-phenyl[(S)-piperidin-2-yl]acetate namespace: chebi_ontology def: "A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have S configuration. It is the inactive enantiomer in the racemic drug methylphenidate." [] subset: 3_STAR synonym: "methyl (2S)-phenyl[(2S)-piperidin-2-yl]acetate" RELATED [ChEBI] xref: Beilstein:6116308 {source="Beilstein"} is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate relationship: is_enantiomer_of CHEBI:51860 ! dexmethylphenidate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H19NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUGOZIWVEXMGBE-STQMWFEESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.30620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.14158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1" xsd:string [Term] id: CHEBI:51860 name: dexmethylphenidate namespace: chebi_ontology def: "A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate." [] subset: 3_STAR synonym: "(+)-threo-methylphenidate" RELATED [ChemIDplus] synonym: "d-threo-methylphenidate" RELATED [ChemIDplus] synonym: "dexmethylphenidate" RELATED INN [WHO_MedNet] synonym: "dexmethylphenidatum" RELATED INN [WHO_MedNet] synonym: "dexmetilfenidato" RELATED INN [WHO_MedNet] synonym: "methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl (R)-phenyl[(R)-piperidin-2-yl]acetate" RELATED [ChEBI] xref: Beilstein:6116309 {source="Beilstein"} xref: CAS:40431-64-9 {source="ChemIDplus"} xref: Drug_Central:836 {source="DrugCentral"} xref: Wikipedia:Dexmethylphenidate is_a: CHEBI:84276 ! methyl phenyl(piperidin-2-yl)acetate relationship: has_role CHEBI:37962 ! adrenergic agent relationship: is_enantiomer_of CHEBI:51857 ! methyl (S)-phenyl[(S)-piperidin-2-yl]acetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H19NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUGOZIWVEXMGBE-CHWSQXEVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.30620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.14158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1" xsd:string [Term] id: CHEBI:51867 name: methyl ketone namespace: chebi_ontology def: "A ketone of formula RC(=O)CH3 (R =/= H)." [] subset: 3_STAR synonym: "methyl ketones" RELATED [ChEBI] synonym: "phenolic ketone" RELATED [] is_a: CHEBI:17087 ! ketone is_a: CHEBI:72544 ! flavonoids property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:51874 name: auramine O free base namespace: chebi_ontology def: "A member of the class of imines that is benzophenone imine carrying two dimethylamino substituents at positions 4 and 4'. The hydrochloride salt is the biological stain 'auramine O'" [] subset: 3_STAR synonym: "4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline)" RELATED [ChemIDplus] synonym: "4,4'-carbonimidoylbis(N,N-dimethylaniline)" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Dimethylaminobenzophenonimide" RELATED [ChEBI] synonym: "Apyonine auramine base" RELATED [ChemIDplus] synonym: "auramine" RELATED [ChEBI] synonym: "Auramine (free base)" RELATED [ChemIDplus] synonym: "Bis(p-dimethylaminophenyl)methyleneimine" RELATED [ChemIDplus] synonym: "Brilliant Oil Yellow" RELATED [ChemIDplus] synonym: "C.I. 41000B" RELATED [ChemIDplus] synonym: "C.I. Solvent Yellow 34" RELATED [ChemIDplus] synonym: "CI Basic Yellow 2, free base" RELATED [ChemIDplus] synonym: "Tetramethyl-p-diamino-imido-benzophenone" RELATED [ChemIDplus] synonym: "Yellow pyoctanine" RELATED [ChemIDplus] xref: Beilstein:2215338 {source="Beilstein"} xref: CAS:492-80-8 {source="ChemIDplus"} xref: CAS:492-80-8 {source="KEGG COMPOUND"} xref: KEGG:C19193 xref: Reaxys:2215338 {source="Reaxys"} is_a: CHEBI:24783 ! imine is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:77178 ! histological dye relationship: is_conjugate_base_of CHEBI:87485 ! auramine O(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPIYZTWMUGTEHX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "267.36886" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "267.17355" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C" xsd:string [Term] id: CHEBI:51915 name: indolocarbazole namespace: chebi_ontology def: "Compounds based upon an indolo[2,3-a]carbazole skeleton." [] subset: 3_STAR synonym: "indolocarbazoles" RELATED [ChEBI] is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:51917 name: formamidines namespace: chebi_ontology def: "Amidines with the general formula R(1)N=CHNR(2)R(3) (R(1), R(2), R(3) can be H)." [] subset: 3_STAR is_a: CHEBI:35359 ! carboxamidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHN2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.03200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.01397" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=N[*])N([*])[*]" xsd:string [Term] id: CHEBI:51937 name: butyronitrile namespace: chebi_ontology def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group." [] subset: 3_STAR synonym: "1-Cyanopropane" RELATED [ChemIDplus] synonym: "butanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Butyric acid nitrile" RELATED [ChemIDplus] synonym: "n-Butanitrile" RELATED [NIST_Chemistry_WebBook] synonym: "n-butyronitrile" RELATED [ChEBI] synonym: "n-propyl cyanide" RELATED [ChEBI] synonym: "propyl cyanide" RELATED [ChEBI] xref: Beilstein:1361452 {source="Beilstein"} xref: CAS:109-74-0 {source="NIST Chemistry WebBook"} xref: CAS:109-74-0 {source="ChemIDplus"} xref: MetaCyc:CPD-12327 xref: PMID:21702510 {source="Europe PMC"} xref: PMID:23919523 {source="Europe PMC"} xref: PMID:24533637 {source="Europe PMC"} xref: Reaxys:1361452 {source="Reaxys"} xref: Wikipedia:Butyronitrile is_a: CHEBI:80291 ! aliphatic nitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVNRLNFWIYMESJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "69.10512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "69.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC#N" xsd:string [Term] id: CHEBI:51958 name: organic polycyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic polycyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:33832 ! organic cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:51959 name: organic tricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "organic tricyclic compounds" RELATED [ChEBI] is_a: CHEBI:51958 ! organic polycyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:52090 name: methoxide namespace: chebi_ontology def: "An organic anion that is the conjugate base of methanol." [] subset: 3_STAR synonym: "methoxide ion" RELATED [ChEBI] xref: Reaxys:1839368 {source="Reaxys"} xref: Reaxys:1839368 "Reaxys" is_a: CHEBI:25696 ! organic anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17790 ! methanol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3O/c1-2/h1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBTOZLQBSIZIKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.03390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.01894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[O-]" xsd:string [Term] id: CHEBI:52092 name: ethoxide namespace: chebi_ontology def: "An organic anion that is the conjugate base of ethanol." [] subset: 3_STAR synonym: "ethoxy anion" RELATED [ChEBI] xref: Beilstein:1839415 "Beilstein" xref: Beilstein:1839415 {source="Beilstein"} xref: Reaxys:1839415 {source="Reaxys"} xref: Reaxys:1839415 "Reaxys" is_a: CHEBI:25696 ! organic anion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16236 ! ethanol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HHFAWKCIHAUFRX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.06050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.03459" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[O-]" xsd:string [Term] id: CHEBI:52145 name: pyrrolidinium ion namespace: chebi_ontology def: "The ion formed by protonating nitrogen in pyrrolidine." [] subset: 3_STAR synonym: "pyrrolidine" RELATED [UniProt] synonym: "pyrrolidinium" EXACT IUPAC_NAME [IUPAC] synonym: "pyrrolidinium ion" EXACT [ChEBI] xref: MetaCyc:PYRROLIDINE is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:33135 ! pyrrolidine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWRDLPDLKQPQOW-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.12890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.08078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CC[NH2+]C1" xsd:string [Term] id: CHEBI:52153 name: 2-diethylaminoethanol namespace: chebi_ontology def: "A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups." [] subset: 3_STAR synonym: "2-(diethylamino)ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "beta-(diethylamino)ethyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-hydroxytriethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "DEAE" RELATED [NIST_Chemistry_WebBook] synonym: "Diethyl(2-hydroxyethyl)amine" RELATED [ChemIDplus] synonym: "Diethylaminoethanol" RELATED [ChemIDplus] synonym: "diethylethanolamine" RELATED [ChemIDplus] synonym: "diethylmonoethanolamine" RELATED [ChemIDplus] synonym: "N,N-Diethyl-2-aminoethanol" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-diethyl-N-(beta-hydroxyethyl)amine" RELATED [ChemIDplus] synonym: "N,N-Diethylethanolamine" RELATED [ChemIDplus] xref: Beilstein:741863 {source="Beilstein"} xref: CAS:100-37-8 {source="ChemIDplus"} xref: CAS:100-37-8 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0033971 xref: PMID:22325017 {source="Europe PMC"} xref: Reaxys:741863 {source="Reaxys"} xref: Wikipedia:2-Diethylaminoethanol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:16000 ! ethanolamine relationship: has_parent_hydride CHEBI:35026 ! triethylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFSVOASYOCHEOV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.18940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.11536" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCO" xsd:string [Term] id: CHEBI:52157 name: organic heteroheptacyclic compound namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:38166 ! organic heteropolycyclic compound [Term] id: CHEBI:52206 name: biochemical role namespace: chebi_ontology def: "A biological role played by the molecular entity or part thereof within a biochemical context." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52208 name: biophysical role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52209 name: aetiopathogenetic role namespace: chebi_ontology def: "A role played by the molecular entity or part thereof which causes the development of a pathological process." [] subset: 3_STAR synonym: "etiopathogenetic agent" RELATED [ChEBI] synonym: "etiopathogenetic role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52210 name: pharmacological role namespace: chebi_ontology def: "A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties." [] subset: 3_STAR is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52211 name: physiological role namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24432 ! biological role property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:52214 name: ligand namespace: chebi_ontology def: "Any molecule or ion capable of binding to a central metal atom to form coordination complexes." [] subset: 3_STAR synonym: "ligands" RELATED [ChEBI] xref: Wikipedia:Ligand is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:52215 name: photochemical role namespace: chebi_ontology def: "A chemical role played by the molecular entity or part thereof in a photochemical process." [] subset: 3_STAR synonym: "photochemical roles" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:52217 name: pharmaceutical namespace: chebi_ontology alt_id: CHEBI:33293 alt_id: CHEBI:33294 def: "Any substance introduced into a living organism with therapeutic or diagnostic purpose." [] subset: 3_STAR synonym: "farmaco" RELATED [ChEBI] synonym: "medicament" RELATED [ChEBI] synonym: "pharmaceuticals" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:52221 name: isothiocyanate namespace: chebi_ontology alt_id: CHEBI:183101 alt_id: CHEBI:24927 alt_id: CHEBI:24929 def: "An organosulfur compound with the general formula R-N=C=S." [] subset: 3_STAR synonym: "an isothiocyanate" RELATED [UniProt] synonym: "isothiocyanates" RELATED [ChEBI] xref: MetaCyc:ISOTHIOCYANATES xref: PMID:21783213 {source="SUBMITTER"} xref: Wikipedia:Isothiocyanate is_a: CHEBI:33261 ! organosulfur compound relationship: has_functional_parent CHEBI:24928 ! isothiocyanic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.97515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N=C=S" xsd:string [Term] id: CHEBI:52242 name: 1,4-diphenylbenzene namespace: chebi_ontology def: "A para-terphenyl that consists of benzene attached to two phenyl units at positions 1 and 4 respectively." [] subset: 3_STAR synonym: "1,1':4',1''-Terphenyl" RELATED [ChemIDplus] synonym: "1,4-diphenylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "4-Phenylbiphenyl" RELATED [ChemIDplus] synonym: "p-Diphenylbenzene" RELATED [ChemIDplus] synonym: "p-Terphenyl" RELATED [ChemIDplus] synonym: "p-Triphenyl" RELATED [ChemIDplus] synonym: "PTP" RELATED [ChemIDplus] synonym: "Santowax P" RELATED [ChemIDplus] xref: Beilstein:1908447 {source="Beilstein"} xref: CAS:92-94-4 {source="ChemIDplus"} xref: CAS:92-94-4 {source="NIST Chemistry WebBook"} xref: PMID:17269654 {source="Europe PMC"} xref: Reaxys:1908447 {source="Reaxys"} is_a: CHEBI:75874 ! para-terphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XJKSTNDFUHDPQJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.30380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.10955" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc(cc1)-c1ccc(cc1)-c1ccccc1" xsd:string [Term] id: CHEBI:52289 name: wortmannin namespace: chebi_ontology alt_id: CHEBI:43674 subset: 3_STAR synonym: "(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "Wartmannin" RELATED [ChemIDplus] xref: Beilstein:67676 {source="Beilstein"} xref: CAS:19545-26-7 {source="ChemIDplus"} xref: CAS:19545-26-7 {source="KEGG COMPOUND"} xref: DrugBank:DB08059 xref: HMDB:HMDB0259902 xref: KEGG:C15181 xref: KNApSAcK:C00023672 xref: LINCS:LSM-3947 xref: MetaCyc:CPD-11924 xref: PDBeChem:KWT xref: PMID:11090628 {source="Europe PMC"} xref: PMID:18703838 {source="Europe PMC"} xref: PMID:19805105 {source="Europe PMC"} xref: PMID:20017609 {source="Europe PMC"} xref: PMID:22003059 {source="Europe PMC"} xref: PMID:22056625 {source="Europe PMC"} xref: PMID:22524784 {source="Europe PMC"} xref: PMID:25449276 {source="Europe PMC"} xref: PMID:27375631 {source="Europe PMC"} xref: PMID:28000865 {source="Europe PMC"} xref: PMID:28474885 {source="Europe PMC"} xref: PMID:30036994 {source="Europe PMC"} xref: PMID:32052028 {source="Europe PMC"} xref: PMID:34306363 {source="Europe PMC"} xref: Reaxys:67676 {source="Reaxys"} xref: Wikipedia:Wortmannin is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:38164 ! organic heteropentacyclic compound is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:132992 ! radiosensitizing agent relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50914 ! EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor relationship: has_role CHEBI:76964 ! Penicillium metabolite relationship: has_role CHEBI:88230 ! autophagy inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H24O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QDLHCMPXEPAAMD-QAIWCSMKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "428.437" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "428.14712" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C" xsd:string [Term] id: CHEBI:52290 name: mitogen namespace: chebi_ontology def: "A chemical substance that encourages a cell to commence cell division, triggering mitosis." [] subset: 3_STAR synonym: "mitogens" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:52342 name: ethyl formate namespace: chebi_ontology def: "A formate ester resulting from the formal condensation of formic acid with ethanol." [] subset: 3_STAR synonym: "Aethylformiat" RELATED [ChemIDplus] synonym: "Areginal" RELATED [ChemIDplus] synonym: "Carboxylic acid oxaethane" RELATED [ChemIDplus] synonym: "ethyl formate" EXACT [UniProt] synonym: "ethyl formate" EXACT IUPAC_NAME [IUPAC] synonym: "Ethyl formic ester" RELATED [ChemIDplus] synonym: "Ethyl methanoate" RELATED [ChemIDplus] synonym: "Ethyle (formiate d')" RELATED [ChemIDplus] synonym: "Ethylformiaat" RELATED [ChemIDplus] synonym: "formiato de etilo" RELATED [ChEBI] synonym: "Formic acid, ethyl ester" RELATED [ChemIDplus] synonym: "Formic ether" RELATED [ChemIDplus] xref: Beilstein:906769 {source="Beilstein"} xref: CAS:109-94-4 {source="NIST Chemistry WebBook"} xref: CAS:109-94-4 {source="ChemIDplus"} xref: HMDB:HMDB0031229 xref: Patent:CN1112546 xref: Patent:WO03061384 xref: PMID:19466692 {source="Europe PMC"} xref: PMID:21780282 {source="Europe PMC"} xref: PMID:24498732 {source="Europe PMC"} xref: Reaxys:906769 {source="Reaxys"} xref: Wikipedia:Ethyl_formate is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:52343 ! formate ester relationship: has_role CHEBI:39276 ! fumigant relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBJINCZRORDGAQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC=O" xsd:string [Term] id: CHEBI:52343 name: formate ester namespace: chebi_ontology def: "An ester of formic acid." [] subset: 3_STAR synonym: "formate" RELATED [ChEBI] synonym: "formate esters" RELATED [ChEBI] synonym: "formates" RELATED [ChEBI] synonym: "formic acid esters" RELATED [ChEBI] synonym: "formic ester" RELATED [ChEBI] synonym: "formyl ester" RELATED [ChEBI] xref: Patent:US2617821 xref: Patent:WO2006088253 is_a: CHEBI:33308 ! carboxylic ester relationship: has_functional_parent CHEBI:30751 ! formic acid [Term] id: CHEBI:52357 name: chlorine dioxide namespace: chebi_ontology subset: 3_STAR synonym: "ClO2(.)" RELATED [IUPAC] synonym: "dioxygen chloride" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36871 ! inorganic radical is_a: CHEBI:37750 ! chlorine oxide relationship: has_role CHEBI:132717 ! bleaching agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "67.452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "66.95868" xsd:string [Term] id: CHEBI:52362 name: ortho-fused heteroarene namespace: chebi_ontology def: "An ortho-fused compound in which at least one of the rings contains at least one heteroatom." [] subset: 3_STAR synonym: "ortho-fused heteroarenes" RELATED [ChEBI] is_a: CHEBI:33637 ! ortho-fused compound is_a: CHEBI:38180 ! polycyclic heteroarene [Term] id: CHEBI:52395 name: oxyketone namespace: chebi_ontology def: "A compound with the general formula R2C=O (R=/=H) where one or more of the R groups contains an oxy (-O-) group." [] subset: 3_STAR synonym: "oxyketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:52396 name: alpha-oxyketone namespace: chebi_ontology def: "An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom." [] subset: 3_STAR synonym: "alpha-oxyketones" RELATED [ChEBI] is_a: CHEBI:52395 ! oxyketone [Term] id: CHEBI:52424 name: EC 3.2.1.* (glycosidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:76776 def: "An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*)." [] subset: 3_STAR synonym: "EC 3.2.1.* (glycosidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.2.1.* inhibitors" RELATED [ChEBI] synonym: "glycosidase (EC 3.2.1.*) inhibitor" RELATED [ChEBI] synonym: "glycosidase (EC 3.2.1.*) inhibitors" RELATED [ChEBI] synonym: "glycosidase inhibitor" RELATED [ChEBI] synonym: "glycosidase inhibitors" RELATED [ChEBI] synonym: "glycoside hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76761 ! EC 3.2.* (glycosylase) inhibitor [Term] id: CHEBI:52425 name: EC 3.2.1.18 (exo-alpha-sialidase) inhibitor namespace: chebi_ontology def: "An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell." [] subset: 3_STAR synonym: "acetylneuraminidase inhibitor" RELATED [ChEBI] synonym: "acetylneuraminidase inhibitors" RELATED [ChEBI] synonym: "acetylneuraminyl hydrolase inhibitor" RELATED [ChEBI] synonym: "acetylneuraminyl hydrolase inhibitors" RELATED [ChEBI] synonym: "alpha-neuraminidase inhibitor" RELATED [ChEBI] synonym: "alpha-neuraminidase inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.18 (exo-alpha-sialidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.18 inhibitor" RELATED [ChEBI] synonym: "EC 3.2.1.18 inhibitors" RELATED [ChEBI] synonym: "exo-alpha-sialidase (EC 3.2.1.18) inhibitor" RELATED [ChEBI] synonym: "exo-alpha-sialidase (EC 3.2.1.18) inhibitors" RELATED [ChEBI] synonym: "exo-alpha-sialidase inhibitor" RELATED [ChEBI] synonym: "exo-alpha-sialidase inhibitors" RELATED [ChEBI] synonym: "N-acylneuraminate glycohydrolase inhibitor" RELATED [ChEBI] synonym: "N-acylneuraminate glycohydrolase inhibitors" RELATED [ChEBI] synonym: "neuraminidase inhibitor" RELATED [ChEBI] synonym: "neuraminidase inhibitors" RELATED [ChEBI] synonym: "sialidase inhibitor" RELATED [ChEBI] synonym: "sialidase inhibitors" RELATED [ChEBI] is_a: CHEBI:36044 ! antiviral drug is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor [Term] id: CHEBI:52440 name: cephalosporin carboxylic acid anion namespace: chebi_ontology subset: 3_STAR synonym: "cephalosporin carboxylate" RELATED [ChEBI] synonym: "cephalosporin carboxylates" RELATED [ChEBI] synonym: "cephalosporin carboxylic acid anions" RELATED [ChEBI] synonym: "cephalosporincarboxylate" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion [Term] id: CHEBI:52496 name: phenylcarbamic acid namespace: chebi_ontology subset: 3_STAR synonym: "Carbanilic acid" RELATED [ChemIDplus] synonym: "Carbanilsaeure" RELATED [ChemIDplus] synonym: "phenylcarbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Phenylcarbamidsaeure" RELATED [ChemIDplus] xref: Beilstein:2802524 {source="Beilstein"} xref: CAS:501-82-6 {source="ChemIDplus"} is_a: CHEBI:33709 ! amino acid relationship: has_functional_parent CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWXJULSLLONQHY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.13600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Nc1ccccc1" xsd:string [Term] id: CHEBI:52497 name: maneb namespace: chebi_ontology def: "A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab." [] subset: 3_STAR synonym: "[{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']manganese" EXACT IUPAC_NAME [IUPAC] synonym: "manganese ethane-1,2-diyldicarbamodithioate" RELATED [IUPAC] xref: Beilstein:3747585 {source="Beilstein"} xref: CAS:12427-38-2 {source="ChemIDplus"} xref: CAS:12427-38-2 {source="KEGG COMPOUND"} xref: KEGG:C15231 xref: Pesticides:maneb {source="Alan Wood's Pesticides"} xref: PMID:18605226 {source="Europe PMC"} xref: PMID:20188092 {source="Europe PMC"} xref: PMID:20430411 {source="Europe PMC"} xref: PMID:21314462 {source="Europe PMC"} xref: PMID:21402726 {source="Europe PMC"} xref: PMID:23764462 {source="Europe PMC"} xref: PMID:24936438 {source="Europe PMC"} xref: PMID:25275677 {source="Europe PMC"} xref: PPDB:426 xref: Reaxys:3747585 {source="Reaxys"} xref: Wikipedia:Maneb is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:35117 ! manganese coordination entity relationship: has_part CHEBI:83060 ! dithiocarbamate salt relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C4H6MnN2S4)n" xsd:string [Term] id: CHEBI:52498 name: zineb namespace: chebi_ontology def: "A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU." [] subset: 3_STAR synonym: "[{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']zinc" EXACT IUPAC_NAME [IUPAC] synonym: "zinc ethane-1,2-diyldicarbamodithioate" RELATED [IUPAC] xref: Beilstein:4165797 {source="Beilstein"} xref: CAS:12122-67-7 {source="KEGG COMPOUND"} xref: CAS:12122-67-7 {source="ChemIDplus"} xref: KEGG:C15232 xref: Patent:CN1648120 xref: Patent:US2690448 xref: Pesticides:zineb {source="Alan Wood's Pesticides"} xref: PMID:22155123 {source="Europe PMC"} xref: PMID:23871785 {source="Europe PMC"} xref: PMID:465777 {source="Europe PMC"} xref: PPDB:683 xref: Reaxys:4165797 {source="Reaxys"} xref: Wikipedia:Zineb is_a: CHEBI:33839 ! macromolecule is_a: CHEBI:36566 ! zinc coordination entity is_a: CHEBI:83060 ! dithiocarbamate salt relationship: has_part CHEBI:77308 ! ethylenebis(dithiocarbamate) relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2S4Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AMHNZOICSMBGDH-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.77300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.87052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn++].[S-]C(=S)NCCNC([S-])=S" xsd:string [Term] id: CHEBI:52557 name: tetracyclic diterpenoid namespace: chebi_ontology def: "A diterpenoid with a tetracyclic skeleton." [] subset: 3_STAR synonym: "tetracyclic diterpenoids" RELATED [ChEBI] is_a: CHEBI:23849 ! diterpenoid [Term] id: CHEBI:52575 name: alkylglycerol namespace: chebi_ontology def: "A glycerol ether having at least one alkyl substituent on oxygen." [] subset: 3_STAR synonym: "alkylglycerols" RELATED [ChEBI] synonym: "O-alkylglycerol" RELATED [ChEBI] synonym: "O-alkylglycerols" RELATED [ChEBI] is_a: CHEBI:24353 ! glycerol ether [Term] id: CHEBI:52625 name: inorganic hydroxy compound namespace: chebi_ontology subset: 3_STAR synonym: "inorganic hydroxides" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides is_a: CHEBI:24835 ! inorganic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:52646 name: leptomycin B namespace: chebi_ontology def: "A leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17." [] subset: 3_STAR synonym: "(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "antibiotic ATS 1287B" RELATED [ChEBI] synonym: "Antibiotic CI 940" RELATED [ChemIDplus] synonym: "Antibiotic CL 1957A" RELATED [ChemIDplus] synonym: "Antibiotic PD 114720" RELATED [ChEBI] synonym: "ATS 1287B" RELATED [ChEBI] synonym: "LMB" RELATED [ChEBI] xref: Beilstein:7958583 {source="Beilstein"} xref: Beilstein:8299374 {source="Beilstein"} xref: CAS:87081-35-4 {source="ChemIDplus"} xref: PMID:10421839 {source="Europe PMC"} xref: PMID:10430904 {source="Europe PMC"} xref: PMID:11134317 {source="Europe PMC"} xref: PMID:12468543 {source="Europe PMC"} xref: PMID:16964287 {source="Europe PMC"} xref: PMID:6874586 {source="Europe PMC"} xref: PMID:9683540 {source="Europe PMC"} xref: Reaxys:8299374 {source="Reaxys"} is_a: CHEBI:140345 ! hydroxy polyunsaturated fatty acid is_a: CHEBI:52651 ! leptomycin relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H48O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YACHGFWEQXFSBS-XYERBDPFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "540.73060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "540.34509" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C(\\C=C\\[C@@H]1OC(=O)C=C[C@@H]1C)=C\\[C@H](C)C\\C=C\\C(\\C)=C\\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\\C(C)=C\\C(O)=O" xsd:string [Term] id: CHEBI:52651 name: leptomycin namespace: chebi_ontology def: "A complex, very long chain, polyunsaturated fatty acid whose core structure comprises 8-oxononadeca-2,10,12,16,18-pentaenoic acid having methyl substituents at positions 3, 5, 7, 9, 11 and 15 and a 3,6-dihydropyran-6-one-2-yl group at position 19." [] subset: 3_STAR synonym: "leptomycins" RELATED [ChEBI] xref: CAS:88026-21-5 {source="ChemIDplus"} xref: PMID:6874586 {source="Europe PMC"} is_a: CHEBI:24654 ! hydroxy fatty acid is_a: CHEBI:25000 ! lactone is_a: CHEBI:26208 ! polyunsaturated fatty acid is_a: CHEBI:27283 ! very long-chain fatty acid is_a: CHEBI:35819 ! branched-chain fatty acid is_a: CHEBI:59644 ! oxo fatty acid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: has_functional_parent CHEBI:28866 ! tetracosanoic acid [Term] id: CHEBI:52726 name: proteasome inhibitor namespace: chebi_ontology def: "A drug that blocks the action of proteasomes, cellular complexes that break down proteins." [] subset: 3_STAR synonym: "proteasome inhibitors" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:52837 name: quinolinium ion namespace: chebi_ontology subset: 3_STAR synonym: "quinolinium ion" EXACT [ChEBI] synonym: "quinolinium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation [Term] id: CHEBI:52845 name: cyclic organic group namespace: chebi_ontology def: "An organic group that consists of a closed ring. It may be a substituent or a skeleton." [] subset: 3_STAR synonym: "cyclic organic groups" RELATED [ChEBI] is_a: CHEBI:33247 ! organic group [Term] id: CHEBI:52855 name: inorganic nanoparticle namespace: chebi_ontology def: "A nanoparticle that contains no carbon." [] subset: 3_STAR synonym: "inorganic nanoparticles" RELATED [ChEBI] is_a: CHEBI:50803 ! nanoparticle [Term] id: CHEBI:52990 name: tin oxide namespace: chebi_ontology def: "A metal oxide containing tin and oxygen." [] subset: 3_STAR synonym: "oxides of tin" RELATED [ChEBI] synonym: "tin oxides" RELATED [ChEBI] is_a: CHEBI:133331 ! metal oxide is_a: CHEBI:27008 ! tin molecular entity [Term] id: CHEBI:52991 name: tin dioxide namespace: chebi_ontology def: "A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms." [] subset: 3_STAR synonym: "Cassiterite" RELATED [ChemIDplus] synonym: "Flowers of tin" RELATED [ChemIDplus] synonym: "Stannic anhydride" RELATED [ChemIDplus] synonym: "Stannic dioxide" RELATED [ChemIDplus] synonym: "Stannic oxide" RELATED [ChemIDplus] synonym: "stannic oxide" RELATED [SUBMITTER] synonym: "tin dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "Tin Oxide" RELATED [ChemIDplus] synonym: "Tin Peroxide" RELATED [ChemIDplus] synonym: "tin(IV) oxide" EXACT IUPAC_NAME [IUPAC] synonym: "tin(IV) oxide" RELATED [SUBMITTER] synonym: "White tin oxide" RELATED [ChemIDplus] xref: CAS:1317-45-9 {source="ChemIDplus"} xref: CAS:18282-10-5 {source="ChemIDplus"} xref: CAS:18282-10-5 {source="NIST Chemistry WebBook"} xref: Gmelin:9355 {source="Gmelin"} is_a: CHEBI:52990 ! tin oxide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2O.Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOLBLPGZBRYERU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.70900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.89203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Sn]=O" xsd:string [Term] id: CHEBI:53000 name: epitope namespace: chebi_ontology def: "The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds." [] subset: 3_STAR synonym: "antigenic determinant" RELATED [ChEBI] synonym: "epitope function" RELATED [ChEBI] synonym: "epitope role" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:53095 name: imidazolines namespace: chebi_ontology def: "Diazoline compounds having the nitrogen atoms at the 1- and 3-positions and a double bond at an unspecified position." [] subset: 3_STAR is_a: CHEBI:53123 ! diazoline [Term] id: CHEBI:53121 name: adenosine A2A receptor antagonist namespace: chebi_ontology def: "An antagonist at the A2A receptor." [] subset: 3_STAR synonym: "adenosine A2A receptor antagonists" RELATED [ChEBI] xref: Wikipedia:Adenosine_A2A_receptor is_a: CHEBI:71232 ! adenosine receptor antagonist [Term] id: CHEBI:53123 name: diazoline namespace: chebi_ontology def: "A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond." [] subset: 3_STAR synonym: "diazolines" RELATED [ChEBI] is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:53156 name: polychlorobiphenyl namespace: chebi_ontology def: "A biphenyl compound containing between 2 and 10 chlorine atoms attached to the two benzene rings." [] subset: 3_STAR synonym: "PCB" RELATED [ChEBI] synonym: "PCBs" RELATED [ChEBI] synonym: "polychlorinated biphenyl" RELATED [ChEBI] synonym: "polychlorinated biphenyls" RELATED [ChEBI] synonym: "polychlorobiphenyls" RELATED [ChEBI] xref: Wikipedia:Polychlorinated_biphenyl is_a: CHEBI:134045 ! polychlorinated dibenzodioxines and related compounds is_a: CHEBI:35446 ! chlorobiphenyl relationship: has_role CHEBI:138015 ! endocrine disruptor [Term] id: CHEBI:53181 name: pristane namespace: chebi_ontology alt_id: CHEBI:77511 def: "A norterpene that is an acyclic saturated hydrocarbon derived from phytane by loss of its C-16 terminal methyl group." [] subset: 3_STAR synonym: "2,6,10,14-tetramethylpentadecane" EXACT IUPAC_NAME [IUPAC] synonym: "Bute hydrocarbon" RELATED [ChemIDplus] synonym: "Norphytan" RELATED [NIST_Chemistry_WebBook] synonym: "Norphytane" RELATED [ChemIDplus] synonym: "Pristan" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1720538 {source="Beilstein"} xref: Beilstein:1720538 {source="ChemIDplus"} xref: CAS:1921-70-6 {source="ChemIDplus"} xref: CAS:1921-70-6 {source="NIST Chemistry WebBook"} xref: MetaCyc:CPD-15252 xref: PMID:21725847 {source="Europe PMC"} xref: PMID:22076633 {source="Europe PMC"} xref: PMID:22160928 {source="Europe PMC"} xref: PMID:22391806 {source="Europe PMC"} xref: PMID:22422888 {source="Europe PMC"} xref: PMID:22678902 {source="Europe PMC"} xref: PMID:22702720 {source="Europe PMC"} xref: PMID:22917079 {source="Europe PMC"} xref: PMID:22933628 {source="Europe PMC"} xref: PMID:23249408 {source="Europe PMC"} xref: PMID:23342358 {source="Europe PMC"} xref: PMID:23450347 {source="Europe PMC"} xref: PMID:9574571 {source="Europe PMC"} xref: Reaxys:1720538 {source="Reaxys"} xref: Wikipedia:Pristane is_a: CHEBI:53182 ! norterpene is_a: CHEBI:83563 ! long-chain alkane relationship: has_role CHEBI:50847 ! immunological adjuvant relationship: has_role CHEBI:59163 ! biomarker property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H40" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOJVVFBFDXDTEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.52090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.31300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)C" xsd:string [Term] id: CHEBI:53182 name: norterpene namespace: chebi_ontology def: "Any hydrocarbon formed by loss of a methyl group from a terpene." [] subset: 3_STAR synonym: "nor-terpene" RELATED [ChEBI] synonym: "nor-terpenes" RELATED [ChEBI] synonym: "norterpenes" RELATED [ChEBI] is_a: CHEBI:24632 ! hydrocarbon [Term] id: CHEBI:53183 name: apo carotenoid namespace: chebi_ontology def: "A compound arising from loss of part of the carotene skeleton (excluding retinoids)" [] subset: 3_STAR synonym: "apo carotenoids" RELATED [ChEBI] synonym: "apocarotenoid" RELATED [ChEBI] synonym: "apocarotenoids" RELATED [ChEBI] is_a: CHEBI:24913 ! isoprenoid [Term] id: CHEBI:53212 name: isocyanates namespace: chebi_ontology def: "Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N)." [] subset: 3_STAR synonym: "iso-cyanates" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_functional_parent CHEBI:29202 ! isocyanic acid [Term] id: CHEBI:53213 name: diisocyanate namespace: chebi_ontology def: "An isocyanate compound containing two isocyanate functional groups. Manufactured for reaction with polyols in the production of polyurethanes." [] subset: 3_STAR synonym: "diisocyanates" RELATED [ChEBI] xref: PMID:17042142 {source="Europe PMC"} xref: PMID:22774468 {source="Europe PMC"} xref: PMID:23324746 {source="Europe PMC"} xref: PMID:23343863 {source="Europe PMC"} xref: PMID:23535363 {source="Europe PMC"} xref: PMID:23558852 {source="Europe PMC"} xref: PMID:23835991 {source="Europe PMC"} is_a: CHEBI:53212 ! isocyanates relationship: has_role CHEBI:50904 ! allergen [Term] id: CHEBI:53214 name: isophorone diisocyanate namespace: chebi_ontology def: "A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent." [] subset: 3_STAR synonym: "3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate" RELATED [ChemIDplus] synonym: "5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane" EXACT IUPAC_NAME [IUPAC] synonym: "IPDI" RELATED [ChemIDplus] synonym: "Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester" RELATED [ChemIDplus] synonym: "Isophorone diamine diisocyanate" RELATED [ChemIDplus] synonym: "Isophorone diisocyanate" EXACT [ChemIDplus] xref: CAS:4098-71-9 {source="ChemIDplus"} xref: PMID:1447476 {source="Europe PMC"} xref: PMID:19851844 {source="Europe PMC"} xref: PMID:20817708 {source="Europe PMC"} xref: PMID:22237013 {source="Europe PMC"} xref: PMID:23218325 {source="Europe PMC"} xref: PMID:23394610 {source="Europe PMC"} xref: PMID:23484438 {source="Europe PMC"} xref: PMID:23548862 {source="Europe PMC"} xref: PMID:23564646 {source="Europe PMC"} xref: PMID:23648023 {source="Europe PMC"} xref: Wikipedia:Isophorone_diisocyanate is_a: CHEBI:53213 ! diisocyanate relationship: has_functional_parent CHEBI:34800 ! isophorone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIMLQBUJDJZYEJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.28350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.13683" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O" xsd:string [Term] id: CHEBI:53216 name: dicyclohexylmethane-4,4'-diisocyanate namespace: chebi_ontology def: "A diisocyanate consisting of dicyclohexylmethane with two isocyanate groups at the 4- and 4'-positions." [] subset: 3_STAR synonym: "1,1'-methylenebis(4-isocyanatocyclohexane)" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Diisocyanatodicyclohexylmethane" RELATED [ChemIDplus] synonym: "4,4'-Methylenedi(cyclohexyl isocyanate)" RELATED [NIST_Chemistry_WebBook] synonym: "Bis(4-isocyanatocyclohexyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "dicyclohexylmethane 4,4'-diisocyanate" RELATED [ChEBI] synonym: "Dicyclohexylmethane-4,4'-di-isocyanate" RELATED [NIST_Chemistry_WebBook] synonym: "HMDI" RELATED [ChEBI] synonym: "Hydrogenated MDI" RELATED [ChemIDplus] synonym: "Hylene W" RELATED [ChemIDplus] synonym: "Isocyanic acid, methylenedi-4,1-cyclohexylene ester" RELATED [ChemIDplus] synonym: "Methylene bis(4-cyclohexylisocyanate)" RELATED [ChemIDplus] synonym: "Methylene bis-(4-cyclohexylisocyanate)" RELATED [ChemIDplus] xref: Beilstein:2217800 {source="ChemIDplus"} xref: CAS:5124-30-1 {source="ChemIDplus"} xref: CAS:5124-30-1 {source="NIST Chemistry WebBook"} xref: Patent:US2011021810 xref: PMID:11603590 {source="Europe PMC"} xref: PMID:1447476 {source="Europe PMC"} xref: PMID:14531868 {source="Europe PMC"} xref: PMID:17896759 {source="Europe PMC"} xref: PMID:19804698 {source="Europe PMC"} xref: PMID:20004749 {source="Europe PMC"} xref: PMID:20334402 {source="Europe PMC"} xref: PMID:20851382 {source="Europe PMC"} xref: PMID:2488962 {source="Europe PMC"} xref: PMID:6740674 {source="Europe PMC"} xref: PMID:6821040 {source="Europe PMC"} xref: PMID:8960156 {source="Europe PMC"} xref: Reaxys:2217800 {source="Reaxys"} is_a: CHEBI:53213 ! diisocyanate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H22N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KORSJDCBLAPZEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "262.34740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.16813" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=NC1CCC(CC1)CC1CCC(CC1)N=C=O" xsd:string [Term] id: CHEBI:53218 name: diphenylmethane-4,4'-diisocyanate namespace: chebi_ontology def: "A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions." [] subset: 3_STAR synonym: "1,1'-Methylenebis(4-isocyanatobenzene)" RELATED [ChemIDplus] synonym: "1,1'-methylenebis(4-isocyanatobenzene)" EXACT IUPAC_NAME [IUPAC] synonym: "4,4'-Diisocyanatodiphenylmethane" RELATED [ChemIDplus] synonym: "4,4'-Diphenylmethane diisocyanate" RELATED [ChemIDplus] synonym: "4,4'-methylene diphenyl diisocyanate" RELATED [ChEBI] synonym: "4,4'-Methylenebis(phenyl isocyanate)" RELATED [ChemIDplus] synonym: "4,4'-Methylenedi(phenyl isocyanate)" RELATED [ChemIDplus] synonym: "4,4'-Methylenedi-p-phenylene diisocyanate" RELATED [ChemIDplus] synonym: "4,4'-Methylenediphenyl diisocyanate" RELATED [ChemIDplus] synonym: "4,4'-Methylenediphenyl isocyanate" RELATED [ChemIDplus] synonym: "4,4'-Methylenediphenylene diisocyanate" RELATED [ChemIDplus] synonym: "4,4'-Methylenediphenylene isocyanate" RELATED [ChemIDplus] synonym: "4-4'-Diisocyanate de diphenylmethane" RELATED [ChemIDplus] synonym: "Bis(1,4-isocyanatophenyl)methane" RELATED [ChemIDplus] synonym: "Bis(4-isocyanatophenyl)methane" RELATED [ChemIDplus] synonym: "Bis(p-isocyanatophenyl)methane" RELATED [ChemIDplus] synonym: "Bis(para-isocyanatophenyl)methane" RELATED [ChemIDplus] synonym: "Diphenyl methane diisocyanate" RELATED [ChemIDplus] synonym: "Diphenylmethan-4,4'-diisocyanat" RELATED [ChemIDplus] synonym: "Diphenylmethane diisocyanate" RELATED [ChemIDplus] synonym: "Diphenylmethane-4,4'-diisocyanate" EXACT [NIST_Chemistry_WebBook] synonym: "Diphenylmethyl diisocyanate" RELATED [ChemIDplus] synonym: "MDI" RELATED [ChemIDplus] synonym: "MDR" RELATED [ChemIDplus] synonym: "Methylbisphenyl isocyanate" RELATED [ChemIDplus] synonym: "Methylene bisphenyl isocyanate" RELATED [ChemIDplus] synonym: "Methylene di-p-phenylene isocyanate" RELATED [ChemIDplus] synonym: "Methylene diphenyl diisocyanate" RELATED [ChEBI] synonym: "Methylenebis(4-isocyanatobenzene)" RELATED [ChemIDplus] synonym: "Methylenebis(4-phenyl isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebis(4-phenylene isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebis(p-phenyl isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebis(p-phenylene isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebis(para-phenyl isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebis(para-phenylene isocyanate)" RELATED [ChemIDplus] synonym: "Methylenebisphenyl diisocyanate" RELATED [KEGG_COMPOUND] synonym: "Methylenedi-p-phenylene diisocyanate" RELATED [ChemIDplus] synonym: "Methylenedi-para-phenylene diisocyanate" RELATED [ChemIDplus] synonym: "p,p'-Diphenylmethane diisocyanate" RELATED [ChemIDplus] synonym: "p,p'-Methylenebis(phenyl isocyanate)" RELATED [ChemIDplus] synonym: "para,para'-Diphenylmethane diisocyanate" RELATED [ChemIDplus] synonym: "para,para'-Methylenebis(phenyl isocyanate)" RELATED [ChemIDplus] xref: Beilstein:797662 {source="Beilstein"} xref: CAS:101-68-8 {source="ChemIDplus"} xref: CAS:101-68-8 {source="NIST Chemistry WebBook"} xref: CAS:101-68-8 {source="KEGG COMPOUND"} xref: Gmelin:166464 {source="Gmelin"} xref: KEGG:C19453 xref: Patent:WO2010121997 xref: PMID:11927838 {source="Europe PMC"} xref: PMID:1447476 {source="Europe PMC"} xref: PMID:14531868 {source="Europe PMC"} xref: PMID:17042142 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:18352975 {source="Europe PMC"} xref: PMID:18418755 {source="Europe PMC"} xref: PMID:18484168 {source="Europe PMC"} xref: PMID:18787742 {source="Europe PMC"} xref: PMID:19014769 {source="Europe PMC"} xref: PMID:19191163 {source="Europe PMC"} xref: PMID:19732394 {source="Europe PMC"} xref: PMID:19757291 {source="Europe PMC"} xref: PMID:20165612 {source="Europe PMC"} xref: PMID:20933064 {source="Europe PMC"} xref: PMID:21414210 {source="Europe PMC"} xref: PMID:21878336 {source="Europe PMC"} xref: PMID:21987383 {source="Europe PMC"} xref: PMID:24572447 {source="Europe PMC"} xref: PMID:26337647 {source="Europe PMC"} xref: PMID:26690039 {source="Europe PMC"} xref: PMID:26954368 {source="Europe PMC"} xref: PMID:6296214 {source="Europe PMC"} xref: PMID:6821040 {source="Europe PMC"} xref: PMID:8093967 {source="Europe PMC"} xref: PMID:8711735 {source="Europe PMC"} xref: PMID:8960156 {source="Europe PMC"} xref: Reaxys:797662 {source="Reaxys"} xref: Wikipedia:Diphenylmethane_diisocyanate is_a: CHEBI:53213 ! diisocyanate relationship: has_parent_hydride CHEBI:38884 ! diphenylmethane relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UPMLOUAZCHDJJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "250.25210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "250.07423" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1" xsd:string [Term] id: CHEBI:53225 name: poly(alkylene) macromolecule namespace: chebi_ontology def: "A macromolecule composed of repeating alkane or substituted alkane units." [] subset: 3_STAR synonym: "poly(alkene)" RELATED [SUBMITTER] synonym: "poly(alkene)s" RELATED [SUBMITTER] synonym: "poly(alkylene)" RELATED [ChEBI] synonym: "poly(alkylene)s" RELATED [SUBMITTER] synonym: "poly(olefin)" RELATED [SUBMITTER] synonym: "poly(olefin)s" RELATED [SUBMITTER] synonym: "polyalkene" RELATED [SUBMITTER] synonym: "polyalkenes" RELATED [SUBMITTER] synonym: "polyalkylene" RELATED [SUBMITTER] synonym: "polyalkylenes" RELATED [SUBMITTER] synonym: "polyolefin" RELATED [SUBMITTER] synonym: "polyolefins" RELATED [SUBMITTER] is_a: CHEBI:37997 ! homopolymer macromolecule [Term] id: CHEBI:53226 name: polyethylene macromolecule namespace: chebi_ontology def: "A macromolecule composed of ethane or substituted ethane units." [] subset: 3_STAR synonym: "poly(ethene)s" RELATED [SUBMITTER] synonym: "poly(ethylene)s" RELATED [SUBMITTER] synonym: "polyethenes" RELATED [SUBMITTER] synonym: "polyethylene" RELATED [ChEBI] synonym: "polyethylenes" RELATED [ChEBI] is_a: CHEBI:53225 ! poly(alkylene) macromolecule [Term] id: CHEBI:53232 name: polyimide macromolecule namespace: chebi_ontology def: "A macromolecule composed of units connected by dicarboximide (-C(=O)-NR-C(=O)-) linkages, where R can be H or organyl." [] subset: 3_STAR synonym: "PIs" RELATED [SUBMITTER] synonym: "poly(imide)s" RELATED [SUBMITTER] synonym: "polyimide" RELATED [ChEBI] synonym: "polyimides" RELATED [ChEBI] xref: Beilstein:10521859 {source="Beilstein"} is_a: CHEBI:33839 ! macromolecule [Term] id: CHEBI:53242 name: vinyl polymer macromolecule namespace: chebi_ontology def: "A macromolecule composed of repeating -CHR-CH2- units." [] subset: 3_STAR synonym: "vinyl polymer" RELATED [ChEBI] synonym: "vinyl polymers" RELATED [SUBMITTER] is_a: CHEBI:53226 ! polyethylene macromolecule [Term] id: CHEBI:53291 name: 2-halophenol namespace: chebi_ontology def: "A halophenol in which the halogen atom is bonded to the carbon atom adjacent to the C-OH group." [] subset: 3_STAR synonym: "2-halophenols" RELATED [ChEBI] is_a: CHEBI:38856 ! halophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5OX" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "93.10330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.03404" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1*" xsd:string [Term] id: CHEBI:53310 name: copolymer macromolecule namespace: chebi_ontology alt_id: CHEBI:53178 def: "A macromolecule derived from two or more species of monomer." [] subset: 3_STAR synonym: "co-polymer" RELATED [SUBMITTER] synonym: "co-polymers" RELATED [SUBMITTER] synonym: "copolymer" RELATED [ChEBI] synonym: "copolymers" RELATED [SUBMITTER] synonym: "heteropolymer" RELATED [ChEBI] synonym: "heteropolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule [Term] id: CHEBI:53339 name: olefinic fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one C=C double bond." [] subset: 3_STAR xref: PMID:832335 {source="Europe PMC"} is_a: CHEBI:27208 ! unsaturated fatty acid is_a: CHEBI:78840 ! olefinic compound [Term] id: CHEBI:53353 name: GHB receptor agonist namespace: chebi_ontology def: "A drug that binds to and activates gamma-hydroxybutyric acid receptors." [] subset: 3_STAR synonym: "GHB receptor agonists" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:53448 name: methyl cellulose is_a: CHEBI:28793 ! beta-D-glucan [Term] id: CHEBI:53505 name: 2-methoxypropane namespace: chebi_ontology def: "An ether compound having methyl and isopropyl as the two alkyl groups." [] subset: 3_STAR synonym: "2-methoxypropane" EXACT IUPAC_NAME [IUPAC] synonym: "i-C3H7OCH3" RELATED [NIST_Chemistry_WebBook] synonym: "Isopropyl methyl ether" RELATED [ChemIDplus] synonym: "Methyl isopropyl ether" RELATED [ChemIDplus] xref: Beilstein:1696912 {source="Beilstein"} xref: CAS:598-53-8 {source="ChemIDplus"} xref: CAS:598-53-8 {source="NIST Chemistry WebBook"} xref: Gmelin:1420129 {source="Gmelin"} xref: PMID:10826603 {source="Europe PMC"} xref: PMID:10923823 {source="Europe PMC"} xref: PMID:20989225 {source="Europe PMC"} xref: Reaxys:1696912 {source="Reaxys"} is_a: CHEBI:25698 ! ether relationship: has_role CHEBI:38867 ! anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMGHERXMTMUMMV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(C)C" xsd:string [Term] id: CHEBI:53555 name: toluene meta-diisocyanate namespace: chebi_ontology def: "A diisocyanate that consists of toluene bearing two isocyanato functional groups positioned meta to one another." [] subset: 3_STAR synonym: "1,3-Diisocyanatomethylbenzene" RELATED [ChEBI] synonym: "2,4/2,6-toluene diisocyanate" RELATED [ChEBI] synonym: "2,4/2,6-Toluene diisocyanate isomeric mixture" RELATED [ChemIDplus] synonym: "Diisocyanatotoluene" RELATED [ChemIDplus] synonym: "Methyl-m-phenylene isocyanate" RELATED [ChemIDplus] synonym: "Methyl-meta-phenylene diisocyanate" RELATED [ChemIDplus] synonym: "Methylphenylene isocyanate" RELATED [ChemIDplus] synonym: "TDI" RELATED [ChemIDplus] synonym: "TDI 80-20" RELATED [ChemIDplus] synonym: "toluene diisocyanate" RELATED [ChEBI] synonym: "Tolylene isocyanate" RELATED [ChemIDplus] xref: CAS:26471-62-5 {source="ChemIDplus"} xref: CAS:26471-62-5 {source="KEGG COMPOUND"} xref: KEGG:C19560 xref: PMID:10525268 {source="Europe PMC"} xref: PMID:17042142 {source="Europe PMC"} xref: PMID:210646 {source="Europe PMC"} xref: PMID:24572447 {source="Europe PMC"} xref: PMID:6254424 {source="Europe PMC"} xref: PMID:9114980 {source="Europe PMC"} is_a: CHEBI:53213 ! diisocyanate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.04293" xsd:string [Term] id: CHEBI:53556 name: toluene 2,4-diisocyanate namespace: chebi_ontology def: "A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring." [] subset: 3_STAR synonym: "2,4-diisocyanato-1-methylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-Diisocyanatotoluene" RELATED [ChemIDplus] synonym: "2,4-TDI" RELATED [ChemIDplus] synonym: "2,4-Toluene diisocyanate" RELATED [ChemIDplus] synonym: "2,4-Tolylene diisocyanate" RELATED [ChemIDplus] synonym: "4-Methyl-m-phenylene diisocyanate" RELATED [ChemIDplus] synonym: "Isocyanic acid, 4-methyl-m-phenylene ester" RELATED [ChemIDplus] synonym: "TDI" RELATED [ChEBI] synonym: "toluene-2,4-diyl diisocyanate" RELATED [ChEBI] synonym: "Toluylene-2,4-diisocyanate" RELATED [NIST_Chemistry_WebBook] synonym: "Tolylene-2,4-diisocyanate" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:744602 {source="Beilstein"} xref: CAS:584-84-9 {source="NIST Chemistry WebBook"} xref: CAS:584-84-9 {source="ChemIDplus"} xref: PMID:17042142 {source="Europe PMC"} xref: PMID:19647056 {source="Europe PMC"} xref: PMID:21725071 {source="Europe PMC"} xref: PMID:21878336 {source="Europe PMC"} xref: PMID:22151392 {source="Europe PMC"} xref: PMID:22206939 {source="Europe PMC"} xref: PMID:22229538 {source="Europe PMC"} xref: PMID:24572447 {source="Europe PMC"} xref: PMID:24950844 {source="Europe PMC"} xref: PMID:25042713 {source="Europe PMC"} xref: PMID:6296214 {source="Europe PMC"} xref: PMID:9811173 {source="Europe PMC"} xref: Reaxys:744602 {source="Reaxys"} xref: Wikipedia:Toluene_diisocyanate is_a: CHEBI:53555 ! toluene meta-diisocyanate relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DVKJHBMWWAPEIU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.15610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.04293" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(cc1N=C=O)N=C=O" xsd:string [Term] id: CHEBI:53557 name: toluene 2,6-diisocyanate namespace: chebi_ontology def: "A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring." [] subset: 3_STAR synonym: "1,3-diisocyanato-2-methylbenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-Diisocyanato-1-methylbenzene" RELATED [ChemIDplus] synonym: "2,6-Diisocyanatotoluene" RELATED [ChemIDplus] synonym: "2,6-TDI" RELATED [ChEBI] synonym: "2,6-Toluene diisocyanate" RELATED [ChemIDplus] synonym: "2-Methyl-meta-phenylene isocyanate" RELATED [ChemIDplus] synonym: "Isocyanic acid, 2-methyl-meta-phenylene ester" RELATED [ChemIDplus] synonym: "m-Tolylene diisocyanate" RELATED [ChemIDplus] synonym: "meta-Tolylene diisocyanate" RELATED [ChemIDplus] synonym: "TDI" RELATED [ChEBI] xref: Beilstein:2211546 {source="Beilstein"} xref: CAS:91-08-7 {source="ChemIDplus"} xref: PMID:17042142 {source="Europe PMC"} xref: PMID:21725071 {source="Europe PMC"} xref: PMID:21878336 {source="Europe PMC"} xref: PMID:22229538 {source="Europe PMC"} xref: PMID:24572447 {source="Europe PMC"} xref: PMID:24950844 {source="Europe PMC"} xref: PMID:6296214 {source="Europe PMC"} xref: PMID:7503403 {source="Europe PMC"} xref: PMID:9811173 {source="Europe PMC"} xref: Reaxys:2211546 {source="Reaxys"} xref: Wikipedia:Toluene_diisocyanate is_a: CHEBI:53555 ! toluene meta-diisocyanate relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RUELTTOHQODFPA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.15610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.04293" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c(cccc1N=C=O)N=C=O" xsd:string [Term] id: CHEBI:53559 name: topoisomerase IV inhibitor namespace: chebi_ontology def: "A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands." [] subset: 3_STAR synonym: "topoisomerase IV inhibitors" RELATED [ChEBI] is_a: CHEBI:70727 ! topoisomerase inhibitor [Term] id: CHEBI:53578 name: hexamethylene diisocyanate namespace: chebi_ontology def: "A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group." [] subset: 3_STAR synonym: "1,6-Diisocyanatohexane" RELATED [ChemIDplus] synonym: "1,6-diisocyanatohexane" EXACT IUPAC_NAME [IUPAC] synonym: "1,6-Hexamethylene diisocyanate" RELATED [ChemIDplus] synonym: "1,6-Hexanediol diisocyanate" RELATED [ChemIDplus] synonym: "1,6-Hexylene diisocyanate" RELATED [ChemIDplus] synonym: "HDI" RELATED [ChemIDplus] synonym: "Hexamethylene diisocyanate" EXACT [NIST_Chemistry_WebBook] synonym: "Hexamethylene-1,6-diisocyanate" RELATED [ChemIDplus] synonym: "Hexane 1,6-diisocyanate" RELATED [ChemIDplus] synonym: "HMDI" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:956709 {source="Beilstein"} xref: CAS:822-06-0 {source="NIST Chemistry WebBook"} xref: CAS:822-06-0 {source="ChemIDplus"} xref: Gmelin:50636 {source="Gmelin"} xref: PMID:11927838 {source="Europe PMC"} xref: PMID:16731584 {source="Europe PMC"} xref: PMID:17042142 {source="Europe PMC"} xref: PMID:21878336 {source="Europe PMC"} xref: PMID:22293954 {source="Europe PMC"} xref: PMID:22419182 {source="Europe PMC"} xref: PMID:22449630 {source="Europe PMC"} xref: PMID:23178851 {source="Europe PMC"} xref: PMID:23262421 {source="Europe PMC"} xref: PMID:23421488 {source="Europe PMC"} xref: PMID:24083673 {source="Europe PMC"} xref: PMID:6296214 {source="Europe PMC"} xref: Reaxys:956709 {source="Reaxys"} xref: Wikipedia:Hexamethylene_diisocyanate is_a: CHEBI:53213 ! diisocyanate relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RRAMGCGOFNQTLD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.19310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=NCCCCCCN=C=O" xsd:string [Term] id: CHEBI:53620 name: methylisothiazolinone namespace: chebi_ontology def: "A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM)." [] subset: 3_STAR synonym: "2-methyl-1,2-thiazol-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methyl-3(2H)-isothiazolone" RELATED [ChemIDplus] synonym: "2-Methyl-4-isothiazolin-3-one" RELATED [ChemIDplus] synonym: "MI" RELATED [ChEBI] synonym: "MIT" RELATED [ChEBI] xref: Beilstein:606203 {source="Beilstein"} xref: CAS:2682-20-4 {source="NIST Chemistry WebBook"} xref: CAS:2682-20-4 {source="ChemIDplus"} xref: Patent:EP2289335 xref: PMID:18198720 {source="Europe PMC"} xref: PMID:21504436 {source="Europe PMC"} xref: PMID:21616561 {source="Europe PMC"} xref: PMID:21777214 {source="Europe PMC"} xref: PMID:23340392 {source="Europe PMC"} xref: PMID:23510348 {source="Europe PMC"} xref: PMID:23510349 {source="Europe PMC"} xref: PMID:23601061 {source="Europe PMC"} xref: Reaxys:606203 {source="Reaxys"} xref: Wikipedia:Methylisothiazolinone is_a: CHEBI:48902 ! 1,2-thiazoles relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:51076 ! antifouling biocide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BEGLCMHJXHIJLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.15400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.00918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1sccc1=O" xsd:string [Term] id: CHEBI:53621 name: chloromethylisothiazolinone namespace: chebi_ontology def: "A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product Kathon(TM)." [] subset: 3_STAR synonym: "2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole" RELATED [NIST_Chemistry_WebBook] synonym: "5-chloro-2-methyl-1,2-thiazol-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "5-chloro-2-methyl-2H-isothiazol-3-one" RELATED [NIST_Chemistry_WebBook] synonym: "5-Chloro-2-methyl-4-isothiazolin-3-one" RELATED [ChemIDplus] synonym: "CMIT" RELATED [ChEBI] synonym: "MCI" RELATED [ChEBI] synonym: "methylchloroisothiazolinone" RELATED [ChEBI] xref: Beilstein:1210149 {source="Beilstein"} xref: CAS:26172-55-4 {source="NIST Chemistry WebBook"} xref: CAS:26172-55-4 {source="ChemIDplus"} xref: PMID:10416701 {source="Europe PMC"} xref: PMID:20492831 {source="Europe PMC"} xref: PMID:20566902 {source="Europe PMC"} xref: PMID:21616561 {source="Europe PMC"} xref: PMID:22994269 {source="Europe PMC"} xref: PMID:23510348 {source="Europe PMC"} xref: PMID:23510349 {source="Europe PMC"} xref: Reaxys:1210149 {source="Reaxys"} xref: Wikipedia:Methylchloroisothiazolinone is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:48902 ! 1,2-thiazoles relationship: has_functional_parent CHEBI:53620 ! methylisothiazolinone relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4ClNOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHNRXBZYEKSXIM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.59900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "148.97021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1sc(Cl)cc1=O" xsd:string [Term] id: CHEBI:53658 name: ceftriaxone(1-) namespace: chebi_ontology def: "A cephalosporin carboxylis acid anion having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups, formed by proton loss from the carboxy group of ceftriaxone." [] subset: 3_STAR synonym: "(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:7066100 {source="Beilstein"} xref: MetaCyc:CPD-12294 xref: Reaxys:7066100 {source="Reaxys"} is_a: CHEBI:52440 ! cephalosporin carboxylic acid anion relationship: is_conjugate_base_of CHEBI:29007 ! ceftriaxone property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H17N8O7S3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/p-1/b24-8-/t9-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAAUVRVFOQPIGI-SPQHTLEESA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "553.57200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "553.03878" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C([O-])=O" xsd:string [Term] id: CHEBI:53691 name: amidotrizoic acid namespace: chebi_ontology def: "A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography." [] subset: 3_STAR synonym: "2,4,6-Triiodo-3,5-diacetamidobenzoic acid" RELATED [ChemIDplus] synonym: "3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid" RELATED [ChemIDplus] synonym: "3,5-diacetamido-2,4,6-triiodobenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Acide amidotrizoique" RELATED [ChemIDplus] synonym: "Acidum amidotrizoicum" RELATED [ChEBI] synonym: "Acidum diacetylaminotrijodbenzoicum" RELATED [ChEBI] synonym: "Amidotrizoate" RELATED [ChemIDplus] synonym: "amidotrizoic acid (anhydrous)" RELATED [ChEBI] synonym: "Diatrizoate" RELATED [ChemIDplus] synonym: "Diatrizoesaure" RELATED [ChEBI] synonym: "Diatrizoic acid" RELATED [KEGG_DRUG] synonym: "diatrizoic acid (anhydrous)" RELATED [ChEBI] synonym: "Methalamic acid" RELATED [DrugBank] synonym: "Triombrin" RELATED [ChemIDplus] synonym: "Urografin acid" RELATED [DrugBank] synonym: "Urogranoic acid" RELATED [DrugBank] xref: Beilstein:2225144 {source="Beilstein"} xref: CAS:117-96-4 {source="DrugBank"} xref: CAS:117-96-4 {source="ChemIDplus"} xref: CAS:117-96-4 {source="KEGG DRUG"} xref: Drug_Central:851 {source="DrugCentral"} xref: DrugBank:DB00271 xref: HMDB:HMDB0014416 xref: KEGG:D02240 xref: PMID:15206581 {source="Europe PMC"} xref: PMID:1742128 {source="Europe PMC"} xref: PMID:1910999 {source="Europe PMC"} xref: PMID:24662206 {source="Europe PMC"} xref: PMID:7756847 {source="Europe PMC"} xref: Reaxys:2225144 {source="Reaxys"} xref: Wikipedia:Diatrizoic_acid is_a: CHEBI:22160 ! acetamides is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:37142 ! organoiodine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:59731 ! amidotrizoic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H9I3N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVPYQUNUQOZFHG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "613.91360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "613.76964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I" xsd:string [Term] id: CHEBI:53724 name: poly(chloroprene) macromolecule namespace: chebi_ontology def: "A macromolecule composed of repeating (2Z)-2-chlorobut-2-ene-1,4-diyl units." [] subset: 3_STAR synonym: "1,4-cis-Poly(chloropene)" RELATED [ChemIDplus] synonym: "2-Chloro-1,3-butadiene polymer" RELATED [ChemIDplus] synonym: "neoprene" RELATED [SUBMITTER] synonym: "Poly(2-chloro-1,3-butadiene)" RELATED [ChemIDplus] synonym: "poly(2-chloro-1,3-butadiene)" EXACT IUPAC_NAME [IUPAC] synonym: "Poly(2-chlorobutadiene)" RELATED [ChemIDplus] synonym: "poly(chloroprene)" RELATED [ChEBI] synonym: "poly[(2Z)-2-chlorobut-2-ene-1,4-diyl]" EXACT IUPAC_NAME [IUPAC] synonym: "polychloroprene" RELATED [SUBMITTER] synonym: "trans-1,4-Polychloroprene" RELATED [ChemIDplus] xref: CAS:9010-98-4 {source="KEGG COMPOUND"} xref: CAS:9010-98-4 {source="ChemIDplus"} xref: KEGG:C19502 is_a: CHEBI:37997 ! homopolymer macromolecule property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C4H5Cl)n" xsd:string [Term] id: CHEBI:53746 name: EC 1.1.1.205 (IMP dehydrogenase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of IMP dehydrogenase (EC 1.1.1.205), so blocking de novo biosynthesis of purine nucleotides." [] subset: 3_STAR synonym: "EC 1.1.1.205 (IMP dehydrogenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.205 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.205 inhibitors" RELATED [ChEBI] synonym: "IMP dehydrogenase (EC 1.1.1.205) inhibitor" RELATED [ChEBI] synonym: "IMP dehydrogenase (EC 1.1.1.205) inhibitors" RELATED [ChEBI] synonym: "IMP dehydrogenase inhibitor" RELATED [ChEBI] synonym: "IMP dehydrogenase inhibitors" RELATED [ChEBI] synonym: "IMP oxidoreductase inhibitor" RELATED [ChEBI] synonym: "IMP oxidoreductase inhibitors" RELATED [ChEBI] synonym: "IMP:NAD(+) oxidoreductase inhibitor" RELATED [ChEBI] synonym: "IMP:NAD(+) oxidoreductase inhibitors" RELATED [ChEBI] synonym: "inosinate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "inosinate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "inosine 5'-monophosphate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "inosine monophosphate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "inosine monophosphate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "inosine monophosphate oxidoreductase inhibitor" RELATED [ChEBI] synonym: "inosine monophosphate oxidoreductase inhibitors" RELATED [ChEBI] synonym: "inosinic acid dehydrogenase inhibitor" RELATED [ChEBI] synonym: "inosinic acid dehydrogenase inhibitors" RELATED [ChEBI] is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:53784 name: antispasmodic drug namespace: chebi_ontology def: "A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder." [] subset: 3_STAR synonym: "antispasmodics" RELATED [ChEBI] is_a: CHEBI:51371 ! muscle relaxant [Term] id: CHEBI:5391 name: glucagon namespace: chebi_ontology def: "A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence." [] subset: 3_STAR synonym: "Glucagon" EXACT [KEGG_COMPOUND] synonym: "glucagon" RELATED INN [ChemIDplus] synonym: "Glucagone" RELATED [ChemIDplus] synonym: "glucagonum" RELATED INN [ChemIDplus] synonym: "His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr" RELATED [ChEBI] synonym: "His-ser-glu(nh2)-gly-thr-phe-thr-ser-asp-tyr-ser-lys-tyr-leu-asp-ser-arg-arg-ala-glu(NH2)-asp-phe-val-glu(NH2)-trp-leu-met-asp(NH2)-thr" RELATED [ChemIDplus] synonym: "HSQGTFTSDYSKYLDSRRAQDFVQWLMNT" RELATED [ChEBI] synonym: "L-histidyl-L-seryl-L-glutaminylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-tyrosyl-L-seryl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-seryl-L-arginyl-L-arginyl-L-alanyl-L-glutaminyl-L-alpha-aspartyl-L-phenylalanyl-L-valyl-L-glutaminyl-L-tryptophyl-L-leucyl-L-methionyl-L-asparaginyl-L-threonine" EXACT IUPAC_NAME [IUPAC] xref: CAS:16941-32-5 {source="ChemIDplus"} xref: CAS:9007-92-5 {source="KEGG COMPOUND"} xref: CAS:9007-92-5 {source="ChemIDplus"} xref: Drug_Central:2994 {source="DrugCentral"} xref: DrugBank:DB00040 xref: KEGG:C01501 xref: KEGG:D00116 xref: PMID:21940356 {source="Europe PMC"} xref: PMID:22014161 {source="Europe PMC"} xref: PMID:22154917 {source="Europe PMC"} xref: PMID:22166985 {source="Europe PMC"} xref: PMID:22167521 {source="Europe PMC"} xref: PMID:22214853 {source="Europe PMC"} xref: PMID:22227186 {source="Europe PMC"} xref: PMID:22286080 {source="Europe PMC"} xref: PMID:22294753 {source="Europe PMC"} xref: PMID:22318544 {source="Europe PMC"} xref: PMID:22334714 {source="Europe PMC"} xref: PMID:22399501 {source="Europe PMC"} xref: PMID:22438981 {source="Europe PMC"} xref: PMID:22454291 {source="Europe PMC"} xref: Reaxys:13191924 {source="Reaxys"} xref: Wikipedia:Glucagon is_a: CHEBI:25905 ! peptide hormone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C153H225N43O49S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MASNOZXLGMXCHN-ZLPAWPGGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "3482.74700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3480.61570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O" xsd:string [Term] id: CHEBI:5417 name: glucosamine is_a: CHEBI:24271 ! glucosamines property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:5435 name: piperidine-2,6-dione namespace: chebi_ontology def: "A dicarboximide that is piperidine which is substituted by oxo groups at positions 2 and 6." [] subset: 3_STAR synonym: "2,6-Diketopiperidine" RELATED [KEGG_COMPOUND] synonym: "2,6-piperidinedione" RELATED [ChemIDplus] synonym: "Glutarimide" RELATED [KEGG_COMPOUND] synonym: "Piperidine-2,6-dione" EXACT [KEGG_COMPOUND] synonym: "piperidine-2,6-dione" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:110052 {source="Beilstein"} xref: CAS:1121-89-7 {source="NIST Chemistry WebBook"} xref: CAS:1121-89-7 {source="ChemIDplus"} xref: CAS:1121-89-7 {source="KEGG COMPOUND"} xref: Gmelin:971891 {source="Gmelin"} xref: KEGG:C07275 xref: PMID:10783491 {source="Europe PMC"} xref: Reaxys:110052 {source="Reaxys"} is_a: CHEBI:35356 ! dicarboximide is_a: CHEBI:48589 ! piperidones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KNCYXPMJDCCGSJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "113.11460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CCCC(=O)N1" xsd:string [Term] id: CHEBI:5441 name: glyburide namespace: chebi_ontology def: "An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group." [] subset: 3_STAR synonym: "1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea" RELATED [ChemIDplus] synonym: "1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea" RELATED [ChemIDplus] synonym: "5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide" RELATED [ChemIDplus] synonym: "5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Diabeta" RELATED BRAND_NAME [KEGG_DRUG] synonym: "glibenclamida" RELATED INN [DrugBank] synonym: "glibenclamide" RELATED INN [WHO_MedNet] synonym: "glibenclamide" RELATED INN [KEGG_DRUG] synonym: "glibenclamidum" RELATED INN [DrugBank] synonym: "Glyburide" EXACT [KEGG_COMPOUND] synonym: "Glynase" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Micronase" RELATED BRAND_NAME [KEGG_DRUG] xref: Beilstein:2230085 {source="Beilstein"} xref: CAS:10238-21-8 {source="ChemIDplus"} xref: CAS:10238-21-8 {source="KEGG COMPOUND"} xref: Drug_Central:1314 {source="DrugCentral"} xref: DrugBank:DB01016 xref: KEGG:C07022 xref: KEGG:D00336 xref: LINCS:LSM-2811 xref: Patent:NL6603398 xref: Patent:NL6610580 xref: Patent:US3454635 xref: PMID:16081479 {source="Europe PMC"} xref: PMID:20797618 {source="Europe PMC"} xref: Wikipedia:Glibenclamide is_a: CHEBI:76983 ! N-sulfonylurea is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:131770 ! EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor relationship: has_role CHEBI:35526 ! hypoglycemic agent relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:77194 ! EC 2.7.1.33 (pantothenate kinase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H28ClN3O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNNLBTZKUZBEKO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "494.00400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "493.14382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1" xsd:string [Term] id: CHEBI:55322 name: mu-opioid receptor agonist namespace: chebi_ontology alt_id: CHEBI:50136 def: "A compound that exhibits agonist activity at the mu-opioid receptor." [] subset: 3_STAR synonym: "mu opioid agonist" RELATED [ChEBI] synonym: "mu-opioid agonists" RELATED [ChEBI] synonym: "mu-opioid receptor agonists" RELATED [ChEBI] is_a: CHEBI:60599 ! mu-opioid agent is_a: CHEBI:60606 ! opioid receptor agonist [Term] id: CHEBI:55323 name: antidiarrhoeal drug namespace: chebi_ontology def: "Any drug found useful in the symptomatic treatment of diarrhoea." [] subset: 3_STAR synonym: "antidiarrheal" RELATED [ChEBI] synonym: "antidiarrheal agent" RELATED [ChEBI] synonym: "antidiarrheal agents" RELATED [ChEBI] synonym: "antidiarrheal drug" RELATED [ChEBI] synonym: "antidiarrheal drugs" RELATED [ChEBI] synonym: "antidiarrheals" RELATED [ChEBI] synonym: "antidiarrhoeal" RELATED [ChEBI] synonym: "antidiarrhoeal agent" RELATED [ChEBI] synonym: "antidiarrhoeal agents" RELATED [ChEBI] synonym: "antidiarrhoeal drugs" RELATED [ChEBI] synonym: "antidiarrhoeals" RELATED [ChEBI] synonym: "antiperistaltic" RELATED [ChEBI] synonym: "antiperistaltic agent" RELATED [ChEBI] synonym: "antiperistaltic agents" RELATED [ChEBI] synonym: "antiperistaltic drug" RELATED [ChEBI] synonym: "antiperistaltic drugs" RELATED [ChEBI] synonym: "antiperistaltics" RELATED [ChEBI] is_a: CHEBI:55324 ! gastrointestinal drug [Term] id: CHEBI:55324 name: gastrointestinal drug namespace: chebi_ontology def: "A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion." [] subset: 3_STAR synonym: "gastrointestinal agent" RELATED [ChEBI] synonym: "gastrointestinal agents" RELATED [ChEBI] synonym: "gastrointestinal drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:55326 name: pentolinium tartrate namespace: chebi_ontology def: "The bitartrate salt of pentolinium." [] subset: 3_STAR synonym: "1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium) bis[(2R,3R)-3-carboxy-2,3-dihydroxypropanoate]" EXACT IUPAC_NAME [IUPAC] synonym: "Pendine" RELATED [ChemIDplus] synonym: "Pentalinium tartrate" RELATED [ChemIDplus] synonym: "Pentamethylene-1,5-bis(1'-methylpyrrolidinium tartrate)" RELATED [ChemIDplus] synonym: "Pentapyrrolidium bitartrate" RELATED [ChemIDplus] synonym: "pentolineum tartrate" RELATED [ChEBI] synonym: "Pentolinium bitartrate" RELATED [ChemIDplus] synonym: "Pentolinium ditartrate" RELATED [ChemIDplus] synonym: "Pentolonii tartras" RELATED [ChemIDplus] synonym: "Pentolonium tartrate" RELATED [ChemIDplus] synonym: "Recuryl" RELATED [ChemIDplus] synonym: "Tartrate de pentolonium" RELATED [ChemIDplus] synonym: "Tartrato de pentolonio" RELATED [ChemIDplus] synonym: "Tensilest" RELATED [ChemIDplus] xref: Beilstein:5216205 {source="Beilstein"} xref: CAS:52-62-0 {source="ChemIDplus"} xref: DrugBank:DB01090 xref: PMID:13234334 {source="Europe PMC"} xref: PMID:13365064 {source="Europe PMC"} xref: PMID:13649541 {source="Europe PMC"} xref: PMID:14351794 {source="Europe PMC"} xref: PMID:14353636 {source="Europe PMC"} xref: PMID:588388 {source="Europe PMC"} xref: PMID:6196640 {source="Europe PMC"} xref: Reaxys:5216205 {source="Reaxys"} is_a: CHEBI:50562 ! tartrate salt relationship: has_part CHEBI:347401 ! pentolinium ion relationship: has_role CHEBI:35674 ! antihypertensive agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H42N2O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSMKTIKKPMTUQH-WBPXWQEISA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "538.58580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "538.27377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]([C@@H](O)C([O-])=O)C(O)=O.O[C@H]([C@@H](O)C([O-])=O)C(O)=O.C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1" xsd:string [Term] id: CHEBI:55327 name: aci-nitroethane(1-) namespace: chebi_ontology def: "A nitrogen oxoanion arising from deprotonation of the hydroxy group of nitroethane." [] subset: 3_STAR synonym: "[ethylidene(oxido)-lambda(5)-azanyl]oxidanide" EXACT IUPAC_NAME [IUPAC] synonym: "aci-Nitroethane ion(1-)" RELATED [ChemIDplus] synonym: "Ethanenitronate" RELATED [ChemIDplus] synonym: "ethylnitronate(1-)" RELATED [ChEBI] synonym: "Nitroethane aci-anion" RELATED [ChemIDplus] synonym: "Nitroethane anion" RELATED [ChemIDplus] xref: CAS:25590-58-3 {source="ChemIDplus"} xref: KEGG:C18091 xref: PMID:19577534 {source="Europe PMC"} is_a: CHEBI:33458 ! nitrogen oxoanion relationship: is_conjugate_base_of CHEBI:77894 ! aci-nitroethane property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YERBBVNYIKLXDM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02475" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC=[N+]([O-])[O-]" xsd:string [Term] id: CHEBI:55339 name: camphorsulfonate salt namespace: chebi_ontology def: "Any salt of camphorsulfonic acid." [] subset: 3_STAR synonym: "camphorsulfonates" RELATED [ChEBI] synonym: "camsilate" RELATED [ChEBI] synonym: "camsilates" RELATED [ChEBI] synonym: "camsylate" RELATED [ChEBI] synonym: "camsylates" RELATED [ChEBI] is_a: CHEBI:55382 ! camphorsulfonates [Term] id: CHEBI:55347 name: vitamin K antagonist namespace: chebi_ontology def: "A class of anticoagulants which act by inhibiting the action of vitamin K." [] subset: 3_STAR synonym: "vitamin K antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:55352 name: (R)-atenolol namespace: chebi_ontology def: "The (R)-enantiomer of atenolol." [] subset: 3_STAR synonym: "(+)-Atenolol" RELATED [ChemIDplus] synonym: "(R)-(+)-Atenolol" RELATED [ChemIDplus] synonym: "2-[4-({(2R)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "atenolol" RELATED INN [ChEBI] synonym: "atenololum" RELATED INN [ChEBI] xref: Beilstein:4234250 {source="Beilstein"} xref: CAS:56715-13-0 {source="ChemIDplus"} xref: DrugBank:DB00335 xref: LINCS:LSM-5757 is_a: CHEBI:2904 ! atenolol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "METKIMKYRPQLGS-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "266.33610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "266.16304" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1" xsd:string [Term] id: CHEBI:55369 name: ifosfamides namespace: chebi_ontology def: "Compounds containing an ifosfamide skeleton." [] subset: 3_STAR synonym: "isosfamides" RELATED [ChEBI] is_a: CHEBI:35467 ! phosphorodiamide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37598 ! nitrogen mustard [Term] id: CHEBI:55370 name: imidazolidinone namespace: chebi_ontology def: "An imidazolidine containing one or more oxo groups." [] subset: 3_STAR synonym: "imidazolidinones" RELATED [ChEBI] is_a: CHEBI:38261 ! imidazolidines [Term] id: CHEBI:55373 name: isoxazoles namespace: chebi_ontology alt_id: CHEBI:46813 def: "Oxazoles in which the N and O atoms are adjacent." [] subset: 3_STAR synonym: "1,2-oxazoles" RELATED [ChEBI] synonym: "isoxazoles" EXACT [ChEBI] is_a: CHEBI:35790 ! oxazole [Term] id: CHEBI:55374 name: oxazolidinone namespace: chebi_ontology def: "An oxazolidine containing one or more oxo groups." [] subset: 3_STAR synonym: "oxazolidinones" RELATED [ChEBI] is_a: CHEBI:38329 ! oxazolidines [Term] id: CHEBI:55379 name: camphorsulfonic acid namespace: chebi_ontology def: "A sulfonic acid containing the camphorsulfonate anion." [] subset: 3_STAR synonym: "(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "10-CSA" RELATED [ChEBI] synonym: "2-Oxobornane-10-sulphonic acid" RELATED [ChemIDplus] synonym: "Camphersulfosaeure" RELATED [ChemIDplus] synonym: "CSA" RELATED [ChEBI] synonym: "Reychler's acid" RELATED [ChemIDplus] xref: Beilstein:2216194 {source="Beilstein"} xref: CAS:3144-16-9 {source="ChemIDplus"} is_a: CHEBI:33551 ! organosulfonic acid relationship: has_functional_parent CHEBI:36773 ! camphor relationship: is_conjugate_acid_of CHEBI:55384 ! camphorsulfonate anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.29700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.07693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55380 name: beta-hydroxy ketone namespace: chebi_ontology def: "A ketone containing a hydroxy group on the beta-carbon relative to the C=O group." [] subset: 3_STAR synonym: "beta-hydroxy ketones" RELATED [ChEBI] synonym: "beta-hydroxyketone" RELATED [ChEBI] synonym: "beta-hydroxyketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone relationship: has_part CHEBI:43176 ! hydroxy group [Term] id: CHEBI:55381 name: diacetone alcohol namespace: chebi_ontology def: "A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum." [] subset: 3_STAR synonym: "2-Methyl-2-pentanol-4-one" RELATED [ChemIDplus] synonym: "4-Hydroxy-2-keto-4-methylpentane" RELATED [ChemIDplus] synonym: "4-Hydroxy-4-methyl-2-pentanone" RELATED [ChemIDplus] synonym: "4-hydroxy-4-methylpentan-2-one" RELATED [ChemIDplus] synonym: "Acetonyldimethylcarbinol" RELATED [ChemIDplus] synonym: "Diacetonalkohol" RELATED [ChemIDplus] synonym: "Diacetone-alcool" RELATED [ChemIDplus] synonym: "Diacetonyl alcohol" RELATED [ChemIDplus] synonym: "Dimethyl acetonyl carbinol" RELATED [ChemIDplus] xref: Beilstein:1740440 {source="Beilstein"} xref: CAS:123-42-2 {source="ChemIDplus"} xref: CAS:123-42-2 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0031511 xref: PMID:16718565 {source="Europe PMC"} xref: PMID:18155147 {source="Europe PMC"} xref: PMID:24227491 {source="Europe PMC"} xref: Reaxys:1740440 {source="Reaxys"} xref: Wikipedia:Diacetone_alcohol is_a: CHEBI:55380 ! beta-hydroxy ketone relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWXVUIWOUIDPGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.15830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)CC(C)(C)O" xsd:string [Term] id: CHEBI:55382 name: camphorsulfonates namespace: chebi_ontology def: "Any salt or ester of camphorsulfonic acid." [] subset: 3_STAR is_a: CHEBI:24532 ! organic heterocyclic compound relationship: has_functional_parent CHEBI:55379 ! camphorsulfonic acid [Term] id: CHEBI:55384 name: camphorsulfonate anion namespace: chebi_ontology def: "The conjugate base of camphorsulfonic acid." [] subset: 3_STAR synonym: "(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxobornane-10-sulfonate" RELATED [ChEBI] synonym: "2-oxobornane-10-sulphonate" RELATED [ChEBI] xref: Beilstein:3909522 {source="Beilstein"} is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:55379 ! camphorsulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "231.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.06965" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC1(CS([O-])(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55401 name: (R)-camphorsulfonic acid namespace: chebi_ontology def: "The R enantiomer of camphorsulfonic acid." [] subset: 3_STAR synonym: "(-)-10-CSA" RELATED [ChEBI] synonym: "(-)-camphorsulfonic acid" RELATED [ChemIDplus] synonym: "[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2809676 {source="Beilstein"} xref: CAS:35963-20-3 {source="ChemIDplus"} xref: Reaxys:2809676 {source="Reaxys"} is_a: CHEBI:55379 ! camphorsulfonic acid relationship: is_conjugate_acid_of CHEBI:55407 ! (R)-camphorsulfonate relationship: is_enantiomer_of CHEBI:55403 ! (S)-camphorsulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-XVKPBYJWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.29700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.07693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55403 name: (S)-camphorsulfonic acid namespace: chebi_ontology def: "The S enantiomer of camphorsulfonic acid." [] subset: 3_STAR synonym: "(1S)-(+)-10-camphorsulfonic acid" RELATED [ChEBI] synonym: "(1S)-(+)-CSA" RELATED [ChEBI] synonym: "(1S)-10-camphorsulfonic acid" RELATED [ChEBI] synonym: "(1S,4R)-(+)-2-oxo-10-bornanesulfonic acid" RELATED [ChemIDplus] synonym: "[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Camphersulfosaeure" RELATED [ChemIDplus] synonym: "d-Camphorsulfonic acid" RELATED [ChemIDplus] synonym: "Reychler's acid" RELATED [ChemIDplus] xref: Beilstein:2809675 {source="Beilstein"} xref: CAS:3144-16-9 {source="ChemIDplus"} xref: Reaxys:2809675 {source="Reaxys"} is_a: CHEBI:55379 ! camphorsulfonic acid relationship: is_conjugate_acid_of CHEBI:55408 ! (S)-camphorsulfonate relationship: is_enantiomer_of CHEBI:55401 ! (R)-camphorsulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-GMSGAONNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.29700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.07693" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55407 name: (R)-camphorsulfonate namespace: chebi_ontology def: "The R enantiomer of camphorsulfonate." [] subset: 3_STAR synonym: "[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "R-camphorsulfonate anion" RELATED [ChEBI] xref: Beilstein:3909523 {source="Beilstein"} xref: Reaxys:3909523 {source="Reaxys"} is_a: CHEBI:55384 ! camphorsulfonate anion relationship: is_conjugate_base_of CHEBI:55401 ! (R)-camphorsulfonic acid relationship: is_enantiomer_of CHEBI:55408 ! (S)-camphorsulfonate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-XVKPBYJWSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "231.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.06965" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55408 name: (S)-camphorsulfonate namespace: chebi_ontology def: "The S enantiomer of camphorsulfonate." [] subset: 3_STAR synonym: "[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3653224 {source="Beilstein"} xref: Reaxys:3653224 {source="Reaxys"} is_a: CHEBI:55384 ! camphorsulfonate anion relationship: is_conjugate_base_of CHEBI:55403 ! (S)-camphorsulfonic acid relationship: is_enantiomer_of CHEBI:55407 ! (R)-camphorsulfonate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIOPJNTWMNEORI-GMSGAONNSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "231.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.06965" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2" xsd:string [Term] id: CHEBI:55417 name: maleimides namespace: chebi_ontology def: "Compounds containing a cyclic dicarboximide skeleton in which the two carboacyl groups on nitrogen together with the nitrogen itself form a 1H-pyrrole-2,5-dione structure." [] subset: 3_STAR is_a: CHEBI:35356 ! dicarboximide relationship: has_functional_parent CHEBI:18300 ! maleic acid [Term] id: CHEBI:55505 name: 1,2-benzisothiazole namespace: chebi_ontology def: "A benzothiazole consisting of a benzene ring fused to an isothiazole." [] subset: 3_STAR synonym: "1,2-benzisothiazoles" RELATED [ChEBI] is_a: CHEBI:37947 ! benzothiazoles property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:55517 name: trichothecene namespace: chebi_ontology def: "Any one of a large family of chemically related mycotoxins with a structure based on a sesquiterpene skeleton. The most important structural features causing the biological activities of trichothecenes are a 12,13-epoxy ring, the presence of hydroxy or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain." [] subset: 3_STAR synonym: "trichothecenes" RELATED [ChEBI] is_a: CHEBI:26658 ! sesquiterpenoid is_a: CHEBI:32955 ! epoxide is_a: CHEBI:38166 ! organic heteropolycyclic compound relationship: has_role CHEBI:25442 ! mycotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17O2R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.29430" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.12285" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12O[C@]3([H])[C@H]([*])[C@@H]([*])[C@@](C)(C33CO3)C1(C[*])C([*])C([*])C(C)=C2" xsd:string [Term] id: CHEBI:5557 name: guanethidine namespace: chebi_ontology def: "A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group." [] subset: 3_STAR synonym: "(2-(Octahydro-1-azocinyl)ethyl)guanidine" RELATED [ChemIDplus] synonym: "1-(2-azocan-1-ylethyl)guanidine" EXACT IUPAC_NAME [IUPAC] synonym: "2-(1'-Azacyclooctyl)ethylguanidine" RELATED [ChemIDplus] synonym: "2-(1-N,N-Heptamethyleneimino)ethylguanidine" RELATED [ChemIDplus] synonym: "Azocine, 1-(2-guanidinoethyl)octahydro-" RELATED [ChemIDplus] synonym: "Guanethidine" EXACT [KEGG_COMPOUND] synonym: "guanethidine" RELATED INN [ChEBI] synonym: "guanethidinum" RELATED INN [ChEBI] synonym: "guanetidina" RELATED INN [ChEBI] synonym: "Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-" RELATED [ChemIDplus] synonym: "Heptamethylenimine, 1-(2-guanidinoethyl)-" RELATED [ChemIDplus] synonym: "N-(2-Perhydroazocin-1-ylethyl)guanidine" RELATED [ChemIDplus] xref: Beilstein:1343950 {source="Beilstein"} xref: CAS:55-65-2 {source="ChemIDplus"} xref: Drug_Central:1342 {source="DrugCentral"} xref: DrugBank:DB01170 xref: HMDB:HMDB0015301 xref: KEGG:C07036 xref: KEGG:D08030 xref: LINCS:LSM-6719 xref: Patent:US2928829 xref: PMID:13690338 {source="Europe PMC"} xref: PMID:13824829 {source="Europe PMC"} xref: PMID:13873008 {source="Europe PMC"} xref: Reaxys:1343950 {source="Reaxys"} xref: Wikipedia:Guanethidine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:38791 ! azocanes relationship: has_functional_parent CHEBI:42820 ! guanidine relationship: has_parent_hydride CHEBI:38792 ! azocane relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:37887 ! adrenergic antagonist relationship: has_role CHEBI:66991 ! sympatholytic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H22N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ACGDKVXYNVEAGU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.30850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.18445" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NCCN1CCCCCCC1" xsd:string [Term] id: CHEBI:5610 name: haloalkene namespace: chebi_ontology def: "A compound derived from an alkene by replacing a hydrogen atom with a halogen atom." [] subset: 3_STAR synonym: "Haloalkene" EXACT [KEGG_COMPOUND] synonym: "haloalkenes" RELATED [ChEBI] xref: KEGG:C01706 is_a: CHEBI:24472 ! halohydrocarbon [Term] id: CHEBI:5613 name: haloperidol namespace: chebi_ontology def: "A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety." [] subset: 3_STAR synonym: "1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine" RELATED [ChemIDplus] synonym: "4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone" RELATED [NIST_Chemistry_WebBook] synonym: "4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone" RELATED [NIST_Chemistry_WebBook] synonym: "4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone" RELATED [NIST_Chemistry_WebBook] synonym: "4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one" RELATED [IUPHAR] synonym: "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone" RELATED [NIST_Chemistry_WebBook] synonym: "Haldol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "haloperidol" RELATED INN [KEGG_DRUG] synonym: "haloperidolum" RELATED INN [ChemIDplus] xref: Beilstein:331267 {source="Beilstein"} xref: CAS:52-86-8 {source="NIST Chemistry WebBook"} xref: CAS:52-86-8 {source="ChemIDplus"} xref: CAS:52-86-8 {source="KEGG COMPOUND"} xref: Drug_Central:1353 {source="DrugCentral"} xref: DrugBank:DB00502 xref: KEGG:C01814 xref: KEGG:D00136 xref: LINCS:LSM-3512 xref: Patent:BE577977 xref: Patent:GB895309 xref: Patent:US3438991 xref: PMID:10628896 {source="Europe PMC"} xref: PMID:11304647 {source="Europe PMC"} xref: PMID:25007358 {source="Europe PMC"} xref: PMID:6725621 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: Reaxys:331267 {source="Reaxys"} xref: Wikipedia:Haloperidol is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:48590 ! hydroxypiperidine is_a: CHEBI:76224 ! aromatic ketone is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:65190 ! first generation antipsychotic relationship: has_role CHEBI:66956 ! antidyskinesia agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H23ClFNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LNEPOXFFQSENCJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "375.86400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.14013" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:5615 name: halothane namespace: chebi_ontology def: "A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position." [] subset: 3_STAR synonym: "1,1,1-trifluoro-2-bromo-2-chloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,1-trifluoro-2-chloro-2-bromoethane" RELATED [NIST_Chemistry_WebBook] synonym: "1-bromo-1-chloro-2,2,2-trifluoroethane" RELATED [NIST_Chemistry_WebBook] synonym: "2,2,2-trifluoro-1-chloro-1-bromoethane" RELATED [NIST_Chemistry_WebBook] synonym: "2-bromo-2-chloro-1,1,1-trifluoroethane" EXACT IUPAC_NAME [IUPAC] synonym: "2-bromo-2-chloro-1,1,1-trifluoroethane" RELATED [NIST_Chemistry_WebBook] synonym: "bromochlorotrifluoroethane" RELATED [NIST_Chemistry_WebBook] synonym: "Fluothane" RELATED [NIST_Chemistry_WebBook] synonym: "Halothane" EXACT [KEGG_COMPOUND] synonym: "Narcotane" RELATED [ChemIDplus] synonym: "Phthorothanum" RELATED [ChemIDplus] synonym: "Rhodialothan" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1736947 {source="Beilstein"} xref: CAS:151-67-7 {source="KEGG COMPOUND"} xref: CAS:151-67-7 {source="NIST Chemistry WebBook"} xref: CAS:151-67-7 {source="ChemIDplus"} xref: Drug_Central:1356 {source="DrugCentral"} xref: DrugBank:DB01159 xref: Gmelin:793752 {source="Gmelin"} xref: KEGG:C07515 xref: KEGG:D00542 xref: PMID:7519986 {source="Europe PMC"} xref: VSDB:1806 xref: Wikipedia:Halothane is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37141 ! organobromine compound is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:38870 ! inhalation anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HBrClF3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BCQZXOMGPXTTIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.38125" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.89022" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(Cl)(Br)C(F)(F)F" xsd:string [Term] id: CHEBI:5631 name: heavy metal namespace: chebi_ontology def: "Any metal that is characterized by its rather high atomic mass and density. Although typically occurring in low concentrations, they can be found all throughout the Earth's crust (Commonly, a density of at least 5 g cm(3) is used to define a heavy metal and to differentiate it from other, ''light'' metals)." [] subset: 3_STAR synonym: "heavy metals" RELATED [ChEBI] xref: Wikipedia:Heavy_metals is_a: CHEBI:33521 ! metal atom [Term] id: CHEBI:5653 name: hemiacetal namespace: chebi_ontology def: "A compound having the general formula RR'C(OH)OR'' (R'' =/= H)." [] subset: 3_STAR synonym: "Hemiacetal" EXACT [KEGG_COMPOUND] synonym: "hemiacetals" EXACT IUPAC_NAME [IUPAC] synonym: "hemiacetals" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.00548" xsd:string [Term] id: CHEBI:566274 name: malonaldehyde namespace: chebi_ontology alt_id: CHEBI:43895 def: "A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form." [] subset: 3_STAR synonym: "1,3-Propanedial" RELATED [ChemIDplus] synonym: "1,3-Propanedialdehyde" RELATED [ChemIDplus] synonym: "1,3-Propanedione" RELATED [ChemIDplus] synonym: "malonaldehyde" EXACT [UniProt] synonym: "Malondialdehyde" RELATED [ChemIDplus] synonym: "Malondialdehyde" RELATED [KEGG_COMPOUND] synonym: "Malonic aldehyde" RELATED [ChemIDplus] synonym: "Malonic dialdehyde" RELATED [ChemIDplus] synonym: "Malonodialdehyde" RELATED [ChemIDplus] synonym: "Malonyldialdehyde" RELATED [ChemIDplus] synonym: "MDA" RELATED [ChEBI] synonym: "MDD" RELATED [ChEBI] synonym: "propanedial" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1209262 {source="Beilstein"} xref: CAS:542-78-9 {source="ChemIDplus"} xref: CAS:542-78-9 {source="NIST Chemistry WebBook"} xref: CAS:542-78-9 {source="KEGG COMPOUND"} xref: DrugBank:DB03057 xref: Gmelin:362229 {source="Gmelin"} xref: KEGG:C19440 xref: PDBeChem:MDD xref: PMID:15583011 {source="Europe PMC"} xref: PMID:17548130 {source="ChEMBL"} xref: PMID:23900424 {source="Europe PMC"} xref: PMID:24168430 {source="Europe PMC"} xref: PMID:28600633 {source="Europe PMC"} xref: PMID:28600933 {source="Europe PMC"} xref: PMID:28783520 {source="Europe PMC"} xref: PMID:29348025 {source="Europe PMC"} xref: Reaxys:1209262 {source="Reaxys"} is_a: CHEBI:38124 ! dialdehyde relationship: has_role CHEBI:59163 ! biomarker property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSMYVTOQOOLQHP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.06270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=CCC=O" xsd:string [Term] id: CHEBI:566789 name: ethylaminium namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the nitrogen of ethylamine. The conjugate acid of ethylamine; major species at pH 7.3." [] subset: 3_STAR synonym: "ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "ethylamine" RELATED [UniProt] synonym: "ethylaminium cation" RELATED [ChEBI] synonym: "ethylaminium(1+)" RELATED [ChEBI] synonym: "ethylammonium" RELATED [ChEBI] xref: Beilstein:10787932 {source="Beilstein"} xref: Gmelin:322901 {source="Gmelin"} xref: MetaCyc:ETHANAMINE is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:15862 ! ethylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUSNBJAOOMFDIB-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.09160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.06513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[NH3+]" xsd:string [Term] id: CHEBI:5672 name: heptan-2-one namespace: chebi_ontology def: "A dialkyl ketone with methyl and pentyl as the alkyl groups." [] subset: 3_STAR synonym: "2-Heptanone" RELATED [KEGG_COMPOUND] synonym: "butylacetone" RELATED [NIST_Chemistry_WebBook] synonym: "Heptan-2-one" EXACT [KEGG_COMPOUND] synonym: "heptan-2-one" EXACT [UniProt] synonym: "heptan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl n-amyl ketone" RELATED [KEGG_COMPOUND] synonym: "methyl pentyl ketone" RELATED [ChemIDplus] synonym: "n-amyl methyl ketone" RELATED [NIST_Chemistry_WebBook] synonym: "n-pentyl methyl ketone" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1699063 {source="ChemIDplus"} xref: CAS:110-43-0 {source="ChemIDplus"} xref: CAS:110-43-0 {source="NIST Chemistry WebBook"} xref: CAS:110-43-0 {source="KEGG COMPOUND"} xref: Gmelin:305860 {source="Gmelin"} xref: KEGG:C08380 xref: KNApSAcK:C00001254 xref: LIPID_MAPS_instance:LMFA12000004 {source="LIPID MAPS"} xref: PMID:12769891 {source="Europe PMC"} xref: PMID:14759148 {source="Europe PMC"} xref: PMID:16025460 {source="Europe PMC"} xref: PMID:20416794 {source="Europe PMC"} xref: PMID:2270874 {source="Europe PMC"} xref: Reaxys:1699063 {source="Reaxys"} xref: Wikipedia:2-Heptanone is_a: CHEBI:18044 ! dialkyl ketone is_a: CHEBI:51867 ! methyl ketone relationship: has_role CHEBI:26013 ! pheromone relationship: has_role CHEBI:75771 ! mouse metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CATSNJVOTSVZJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.18546" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC(C)=O" xsd:string [Term] id: CHEBI:5686 name: heterocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of at least two different elements." [] subset: 3_STAR synonym: "compuesto heterociclico" RELATED [IUPAC] synonym: "compuestos heterociclicos" RELATED [IUPAC] synonym: "heterocycle" RELATED [ChEBI] synonym: "Heterocyclic compound" EXACT [KEGG_COMPOUND] synonym: "heterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:5691 name: Hexachloro-1,3-butadiene namespace: chebi_ontology subset: 2_STAR synonym: "HCBD" RELATED [KEGG_COMPOUND] synonym: "Hexachloro-1,3-butadiene" EXACT [KEGG_COMPOUND] synonym: "Hexachlorobutadiene" RELATED [KEGG_COMPOUND] xref: CAS:87-68-3 {source="KEGG COMPOUND"} xref: KEGG:C11091 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWNKSTSCBHKHTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "260.761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.81312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl" xsd:string [Term] id: CHEBI:5692 name: hexachlorobenzene namespace: chebi_ontology def: "A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants." [] subset: 3_STAR synonym: "1,2,3,4,5,6-hexachlorobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "HCB" RELATED [ChemIDplus] synonym: "HCB" RELATED [KEGG_COMPOUND] synonym: "Hexachlorbenzol" RELATED [ChemIDplus] synonym: "Hexachlorobenzene" EXACT [KEGG_COMPOUND] synonym: "hexachlorobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "perchlorobenzene" RELATED [ChemIDplus] synonym: "phenyl perchloryl" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1912585 {source="Beilstein"} xref: CAS:118-74-1 {source="KEGG COMPOUND"} xref: CAS:118-74-1 {source="ChemIDplus"} xref: CAS:118-74-1 {source="NIST Chemistry WebBook"} xref: Gmelin:27278 {source="Gmelin"} xref: HMDB:HMDB0032566 xref: KEGG:C11042 xref: PMID:10641019 {source="Europe PMC"} xref: PMID:12117784 {source="Europe PMC"} xref: PMID:17150971 {source="Europe PMC"} xref: PMID:23336922 {source="Europe PMC"} xref: PMID:23462309 {source="Europe PMC"} xref: PMID:23627767 {source="Europe PMC"} xref: PMID:23747559 {source="Europe PMC"} xref: PMID:23923419 {source="Europe PMC"} xref: PMID:23973543 {source="Europe PMC"} xref: PMID:24148401 {source="Europe PMC"} xref: PMID:24311623 {source="Europe PMC"} xref: PMID:24365113 {source="Europe PMC"} xref: PPDB:380 xref: Reaxys:1912585 {source="Reaxys"} xref: Wikipedia:Hexachlorobenzene is_a: CHEBI:23132 ! chlorobenzenes is_a: CHEBI:87034 ! aromatic fungicide relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:77853 ! persistent organic pollutant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CKAPSXZOOQJIBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.78040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.81312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:5693 name: hexachlorophene namespace: chebi_ontology def: "An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union." [] subset: 3_STAR synonym: "2,2',3,3',5,5'-hexachloro-6,6'-dihydroxydiphenylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "2,2'-dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "2,2'-dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "2,2'-methanediylbis(3,4,6-trichlorophenol)" RELATED [PDBeChem] synonym: "2,2'-methylenebis(3,4,6-trichlorophenol)" EXACT IUPAC_NAME [IUPAC] synonym: "Acigena" RELATED BRAND_NAME [ChemIDplus] synonym: "Almederm" RELATED BRAND_NAME [ChemIDplus] synonym: "Armohex" RELATED BRAND_NAME [ChemIDplus] synonym: "bis(2-hydroxy-3,5,6-trichlorophenyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "bis(3,5,6-trichloro-2-hydroxyphenyl)methane" RELATED [NIST_Chemistry_WebBook] synonym: "Distodin" RELATED BRAND_NAME [ChemIDplus] synonym: "Esaclorofene" RELATED BRAND_NAME [ChemIDplus] synonym: "Exofene" RELATED BRAND_NAME [ChemIDplus] synonym: "Gamophen" RELATED BRAND_NAME [ChemIDplus] synonym: "Gamophene" RELATED BRAND_NAME [ChemIDplus] synonym: "Germa-medica" RELATED BRAND_NAME [ChemIDplus] synonym: "Hexa-Germ" RELATED BRAND_NAME [ChemIDplus] synonym: "Hexabalm" RELATED BRAND_NAME [ChemIDplus] synonym: "hexachlorophene" RELATED INN [WHO_MedNet] synonym: "hexachlorophenum" RELATED INN [WHO_MedNet] synonym: "hexaclorofeno" RELATED INN [WHO_MedNet] synonym: "Hexafen" RELATED BRAND_NAME [ChemIDplus] synonym: "Hexascrub" RELATED BRAND_NAME [ChemIDplus] synonym: "Hexide" RELATED BRAND_NAME [ChemIDplus] synonym: "Nabac" RELATED BRAND_NAME [ChemIDplus] synonym: "Phiso-Scrub" RELATED BRAND_NAME [ChemIDplus] synonym: "Phisodan" RELATED BRAND_NAME [ChemIDplus] synonym: "Septi-Soft" RELATED BRAND_NAME [ChemIDplus] synonym: "Septisol" RELATED BRAND_NAME [ChemIDplus] synonym: "Septofen" RELATED BRAND_NAME [ChemIDplus] synonym: "Solu-Heks" RELATED BRAND_NAME [ChemIDplus] synonym: "Soy-Dome" RELATED BRAND_NAME [ChemIDplus] synonym: "Staphene O" RELATED BRAND_NAME [ChemIDplus] synonym: "Ster-Zac" RELATED BRAND_NAME [ChemIDplus] synonym: "Steral" RELATED BRAND_NAME [ChemIDplus] synonym: "Steraskin" RELATED BRAND_NAME [ChemIDplus] synonym: "Surgi-Cen" RELATED BRAND_NAME [ChemIDplus] synonym: "Surgi-cin" RELATED BRAND_NAME [ChemIDplus] synonym: "Surofene" RELATED BRAND_NAME [ChemIDplus] synonym: "Tersaseptic" RELATED BRAND_NAME [ChemIDplus] synonym: "Turgex" RELATED BRAND_NAME [ChemIDplus] xref: CAS:70-30-4 {source="ChemIDplus"} xref: CAS:70-30-4 {source="NIST Chemistry WebBook"} xref: CAS:70-30-4 {source="KEGG COMPOUND"} xref: Drug_Central:1364 {source="DrugCentral"} xref: DrugBank:DB00756 xref: HMDB:HMDB0014894 xref: KEGG:C08039 xref: KEGG:D00859 xref: LINCS:LSM-6032 xref: Patent:US2250480 xref: Patent:US2435593 xref: Patent:US2812365 xref: PDBeChem:H3P xref: PMID:1133685 {source="Europe PMC"} xref: PMID:22313968 {source="Europe PMC"} xref: PMID:23251633 {source="Europe PMC"} xref: PMID:397166 {source="Europe PMC"} xref: PMID:894425 {source="Europe PMC"} xref: PMID:952574 {source="Europe PMC"} xref: PPDB:381 xref: Reaxys:2064407 {source="Reaxys"} xref: Wikipedia:Hexachlorophene is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:87039 ! bridged diphenyl fungicide relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H6Cl6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ACGUYXCXAPNIKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.90400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.84990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl" xsd:string [Term] id: CHEBI:569624 name: papulacandin B namespace: chebi_ontology def: "A papulacandin that is papulacandin A in which the (2E,4E)-deca-2,4-dienoyl chain at the O-(6') position is replaced by a (2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl chain. It is the major carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans." [] subset: 3_STAR synonym: "(1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-({6-O-[(2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl]-beta-D-galactopyranosyl}oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate" EXACT IUPAC_NAME [IUPAC] synonym: "papulacandin-B" RELATED [ChEBI] xref: Beilstein:7682569 {source="Beilstein"} xref: CAS:61032-80-2 {source="ChemIDplus"} xref: PMID:20711516 {source="Europe PMC"} xref: PMID:3735029 {source="Europe PMC"} xref: PMID:380990 {source="Europe PMC"} xref: PMID:6396177 {source="Europe PMC"} xref: PMID:7440418 {source="Europe PMC"} xref: PMID:852996 {source="Europe PMC"} xref: Reaxys:7682569 {source="Reaxys"} xref: Wikipedia:Papulacandin_B is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:63353 ! disaccharide derivative is_a: CHEBI:72596 ! papulacandin relationship: has_functional_parent CHEBI:36219 ! alpha-lactose relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35718 ! antifungal agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C47H64O17" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7-,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31?,33-,35+,36+,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UJLFRJFJTPPIOK-RZGJRGQUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "901.00090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "900.41435" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)CC\\C=C\\C=C(/C)[C@@H](O)C\\C=C\\C=C\\C(=O)O[C@@H]1[C@@H](O)[C@@]2(OCc3cc(O)cc(O)c23)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)\\C=C\\C=C/C=C/C(O)CC)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:5705 name: Hexazinone namespace: chebi_ontology subset: 2_STAR synonym: "Hexazinone" EXACT [KEGG_COMPOUND] xref: CAS:51235-04-2 {source="KEGG COMPOUND"} xref: KEGG:C10926 xref: PPDB:384 is_a: CHEBI:26588 ! 1,3,5-triazines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H20N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CAWXEEYDBZRFPE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.313" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.15863" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C" xsd:string [Term] id: CHEBI:57248 name: echinocandin namespace: chebi_ontology def: "Any one of a family of large lipopeptides that are inhibitors of the enzyme 1,3-beta-glucan synthase, thus damaging fungal cell walls. Echinocandins are fungicidal against most Candida spp and fungistatic against Aspergillus spp." [] subset: 3_STAR synonym: "echinocandins" RELATED [ChEBI] is_a: CHEBI:46895 ! lipopeptide is_a: CHEBI:86478 ! antibiotic antifungal agent [Term] id: CHEBI:57295 name: (-)-ephedrinium namespace: chebi_ontology def: "Conjugate acid of (-)-ephedrine." [] subset: 3_STAR synonym: "(1R,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,2S)-ephedrine" RELATED [UniProt] xref: Beilstein:4921787 {source="Beilstein"} xref: Gmelin:2740959 {source="Gmelin"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:15407 ! (-)-ephedrine relationship: is_enantiomer_of CHEBI:149673 ! (1S,2R)-ephedrine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGRBVOPPLSCSI-WPRPVWTQSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.24010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.12319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+][C@@H](C)[C@H](O)c1ccccc1" xsd:string [Term] id: CHEBI:57299 name: ATP(3-) namespace: chebi_ontology def: "A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups." [] subset: 3_STAR xref: Beilstein:9535056 {source="Beilstein"} is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:77746 ! human metabolite relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_acid_of CHEBI:30616 ! ATP(4-) relationship: is_conjugate_base_of CHEBI:15422 ! ATP relationship: is_conjugate_base_of CHEBI:237958 ! ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N5O13P3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKHQWZAMYRWXGA-KQYNXXCUSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "504.15720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "503.97392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:57305 name: glycine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine." [] subset: 3_STAR synonym: "2-azaniumylacetate" EXACT IUPAC_NAME [IUPAC] synonym: "glycine" RELATED [UniProt] xref: Gmelin:1807 {source="Gmelin"} xref: MetaCyc:GLY is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:15428 ! glycine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CC([O-])=O" xsd:string [Term] id: CHEBI:57416 name: D-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-alanine." [] subset: 3_STAR synonym: "(2R)-2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-alanine" RELATED [UniProt] synonym: "D-alanine zwitterion" EXACT [IUPAC] is_a: CHEBI:66916 ! alanine zwitterion relationship: is_tautomer_of CHEBI:15570 ! D-alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:57476 name: L-homoserine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-homoserine." [] subset: 3_STAR synonym: "(2S)-2-ammonio-4-hydroxybutanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-4-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-homoserine" RELATED [UniProt] xref: MetaCyc:HOMO-SER is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:15699 ! L-homoserine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.11920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CCO)C([O-])=O" xsd:string [Term] id: CHEBI:57491 name: staurosporinium namespace: chebi_ontology def: "Conjugate acid of staurosporine." [] subset: 3_STAR synonym: "(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one" RELATED [ChEBI] synonym: "(5S,6R,7R,9R)-6-methoxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "staurosporine" RELATED [UniProt] synonym: "staurosporinium cation" RELATED [ChEBI] xref: MetaCyc:STAUROSPORINE is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:15738 ! staurosporine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H27N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/p+1/t17-,20-,26-,28+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKSZLNNOFSGOKW-FYTWVXJKSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "467.53900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "467.20777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13" xsd:string [Term] id: CHEBI:57492 name: isopropylaminium namespace: chebi_ontology def: "Conjugate acid of isopropylamine." [] subset: 3_STAR synonym: "isopropylamine" RELATED [UniProt] synonym: "propan-2-aminium" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:323087 {source="Gmelin"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:15739 ! isopropylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JJWLVOIRVHMVIS-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.11820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.08078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[NH3+]" xsd:string [Term] id: CHEBI:57504 name: L-dopa zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of L-dopa. Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-dopa" RELATED [UniProt] xref: Gmelin:487331 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_enantiomer_of CHEBI:149689 ! D-dopa zwitterion relationship: is_tautomer_of CHEBI:15765 ! L-dopa property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.18790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.06881" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccc(O)c(O)c1)C([O-])=O" xsd:string [Term] id: CHEBI:57560 name: long-chain fatty acid anion namespace: chebi_ontology alt_id: CHEBI:13652 def: "A fatty acid anion with a chain length of C13 to C22." [] subset: 3_STAR synonym: "a long-chain carboxylate" RELATED [ChEBI] synonym: "a long-chain fatty acid" RELATED [UniProt] synonym: "long-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:15904 ! long-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:57586 name: biotinate namespace: chebi_ontology def: "Conjugate base of biotin arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "biotin" RELATED [UniProt] synonym: "biotin anion" RELATED [ChEBI] xref: Beilstein:10186323 {source="Beilstein"} xref: MetaCyc:BIOTIN is_a: CHEBI:176841 ! vitamin B7 is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15956 ! biotin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBJHBAHKTGYVGT-ZKWXMUAHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "243.30300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.08034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2" xsd:string [Term] id: CHEBI:57592 name: cyclohexylsulfamate namespace: chebi_ontology def: "An organic sulfamate oxoanion that is the conjugate base of cyclohexylsulfamic acid." [] subset: 3_STAR synonym: "cyclohexylsulfamate" EXACT [UniProt] synonym: "cyclohexylsulfamate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4135617 {source="Beilstein"} xref: Reaxys:4135617 {source="Reaxys"} is_a: CHEBI:61660 ! organic sulfamate oxoanion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:15964 ! cyclohexylsulfamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCAJEUSONLESMK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.22900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.05434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)NC1CCCCC1" xsd:string [Term] id: CHEBI:57603 name: ethanolaminium(1+) namespace: chebi_ontology def: "A primary aliphatic ammonium ion that is the conjugate acid of ethanolamine arising from protonation of the primary amino function." [] subset: 3_STAR synonym: "2-hydroxyethan-1-aminium" RELATED [ChEBI] synonym: "2-hydroxyethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "ethanolamine" RELATED [UniProt] synonym: "ethanolaminium cation" RELATED [ChEBI] is_a: CHEBI:58001 ! primary aliphatic ammonium ion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16000 ! ethanolamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZAXFHJVJLSVMW-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.09100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.06004" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCO" xsd:string [Term] id: CHEBI:57703 name: 2-nitrophenolate namespace: chebi_ontology def: "The conjugate base of 2-nitrophenol; major apecies at pH 7.3." [] subset: 3_STAR synonym: "2-nitrophenol" RELATED [UniProt] synonym: "2-nitrophenolate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3542179 {source="Beilstein"} xref: Gmelin:327584 {source="Gmelin"} is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:16260 ! 2-nitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQUPABOKLQSFBK-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.10090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.01967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1ccccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:57726 name: D-proline zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-proline in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-pyrrolidinium-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "D-proline" RELATED [UniProt] xref: MetaCyc:D-PROLINE is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:16313 ! D-proline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@H]1CCC[NH2+]1" xsd:string [Term] id: CHEBI:57746 name: 3',5'-cyclic GMP(1-) namespace: chebi_ontology def: "The conjugate base of guanosine 3',5'-cyclic phosphate arising from deprotonation of the free phosphate OH group; major species at pH 7.3." [] subset: 3_STAR synonym: "3',5'-cyclic GMP" RELATED [UniProt] synonym: "3',5'-cyclic GMP anion" RELATED [ChEBI] synonym: "guanosine 3',5'-phosphate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4030890 {source="Beilstein"} xref: Beilstein:7235136 {source="Beilstein"} xref: Gmelin:1336501 {source="Gmelin"} is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16356 ! 3',5'-cyclic GMP property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11N5O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/p-1/t3-,5-,6-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOOGRGPOEVQQDX-UUOKFMHZSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.19740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.04016" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O" xsd:string [Term] id: CHEBI:57762 name: L-valine zwitterion namespace: chebi_ontology def: "An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-valine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-methylbutanoate" RELATED [ChEBI] synonym: "(2S)-2-azaniumyl-3-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-valine" RELATED [UniProt] xref: Gmelin:2826 {source="Gmelin"} is_a: CHEBI:59869 ! L-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:16414 ! L-valine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:5778 name: hydrochlorothiazide namespace: chebi_ontology def: "A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure." [] subset: 3_STAR synonym: "6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "Esidrix (TN)" RELATED [KEGG_COMPOUND] synonym: "hidroclorotiazida" RELATED INN [ChemIDplus] synonym: "hydrochlorothiazide" RELATED INN [ChemIDplus] synonym: "hydrochlorothiazidum" RELATED INN [ChemIDplus] xref: CAS:58-93-5 {source="ChemIDplus"} xref: CAS:58-93-5 {source="KEGG COMPOUND"} xref: CAS:58-93-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:1385 {source="DrugCentral"} xref: DrugBank:DB00999 xref: HMDB:HMDB0001928 xref: KEGG:C07041 xref: KEGG:D00340 xref: LINCS:LSM-5308 xref: PDBeChem:HCZ xref: PMID:24055851 {source="Europe PMC"} xref: PMID:24657333 {source="Europe PMC"} xref: PMID:24849193 {source="Europe PMC"} xref: Reaxys:625101 {source="Reaxys"} xref: Wikipedia:Hydrochlorothiazide is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:50265 ! benzothiadiazine relationship: has_role CHEBI:35498 ! diuretic relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8ClN3O4S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JZUFKLXOESDKRF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.73900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.96448" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl" xsd:string [Term] id: CHEBI:57867 name: nucleoside 5'-phosphate dianion namespace: chebi_ontology def: "The conjugate base of a nucleoside 5'-phosphate." [] subset: 3_STAR synonym: "a nucleoside 5'-phosphate" RELATED [UniProt] synonym: "nucleoside 5'-phosphate dianions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16701 ! nucleoside 5'-phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.07920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.99802" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1[C@@H]([*])[C@H]([*])O[C@@H]1COP([O-])([O-])=O" xsd:string [Term] id: CHEBI:57871 name: codeine(1+) namespace: chebi_ontology def: "The conjugate acid of codeine arising from protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(5alpha,6alpha,17S)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-6-ol" RELATED [ChEBI] synonym: "3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-6alpha-ol" EXACT IUPAC_NAME [IUPAC] synonym: "codeine" RELATED [UniProt] synonym: "codeine cation" RELATED [ChEBI] xref: Gmelin:351392 {source="Gmelin"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:16714 ! codeine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H22NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/p+1/t11-,12+,13-,17-,18-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OROGSEYTTFOCAN-DNJOTXNNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.37220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.15942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(OC)ccc5C[C@H]1[NH+](C)CC[C@@]23c45" xsd:string [Term] id: CHEBI:57887 name: tryptaminium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "2-(1H-indol-3-yl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "tryptamine" RELATED [UniProt] synonym: "tryptaminium cation" RELATED [ChEBI] synonym: "tryptaminium(1+)" RELATED [ChEBI] xref: Gmelin:533978 {source="Gmelin"} is_a: CHEBI:65296 ! primary ammonium ion relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16765 ! tryptamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "APJYDQYYACXCRM-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "161.22310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "161.10732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCc1c[nH]c2ccccc12" xsd:string [Term] id: CHEBI:57917 name: 4-nitrophenolate namespace: chebi_ontology def: "A phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3." [] subset: 3_STAR synonym: "4-nitrobenzen-1-olate" RELATED [ChEBI] synonym: "4-nitrophenol" RELATED [UniProt] synonym: "4-nitrophenolate" EXACT IUPAC_NAME [IUPAC] synonym: "4-nitrophenolate anion" RELATED [ChEBI] synonym: "4-nitrophenolate(1-)" RELATED [ChEBI] synonym: "p-nitrophenolate" RELATED [ChEBI] synonym: "p-nitrophenolate anion" RELATED [ChEBI] synonym: "p-nitrophenolate ion" RELATED [ChEBI] synonym: "p-nitrophenolate(1-)" RELATED [ChEBI] xref: Beilstein:3589511 {source="Beilstein"} xref: Gmelin:3310 {source="Gmelin"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:16836 ! 4-nitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTJIUGUIPKRLHP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.10140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.01967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1ccc(cc1)[N+]([O-])=O" xsd:string [Term] id: CHEBI:57925 name: glutathionate(1-) namespace: chebi_ontology def: "A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3." [] subset: 3_STAR synonym: "glutathionate" RELATED [ChEBI] synonym: "glutathionate anion" RELATED [ChEBI] synonym: "glutathionate ion" RELATED [ChEBI] synonym: "glutathione" RELATED [UniProt] xref: PMID:4200890 {source="Europe PMC"} xref: PMID:4745654 {source="Europe PMC"} is_a: CHEBI:60334 ! peptide anion relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16856 ! glutathione property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N3O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSXRVCMGQZWBV-WDSKDSINSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.07653" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]" xsd:string [Term] id: CHEBI:57966 name: beta-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "3-ammoniopropanoate" RELATED [IUPAC] synonym: "3-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "beta-alanine" RELATED [UniProt] xref: Gmelin:454332 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16958 ! beta-alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCC([O-])=O" xsd:string [Term] id: CHEBI:57970 name: 1-acyl-sn-glycerol 3-phosphate(2-) namespace: chebi_ontology alt_id: CHEBI:74916 def: "Dianion of a 1-acyl-sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-3-alkanoyloxy-2-hydroxypropyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "1-acyl-sn-glycerol 3-phosphate dianion" RELATED [ChEBI] synonym: "1-acyl-sn-glycerol 3-phosphate dianions" RELATED [ChEBI] synonym: "a 1-acyl-sn-glycero-3-phosphate" RELATED [UniProt] synonym: "lysophosphatidate(2-)" RELATED [SUBMITTER] is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) is_a: CHEBI:78166 ! 2-lysophosphatidate(2-) relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.98511" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H](COC([*])=O)COP([O-])([O-])=O" xsd:string [Term] id: CHEBI:57972 name: L-alanine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammoniopropanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-alanine" RELATED [UniProt] xref: Gmelin:362662 {source="Gmelin"} is_a: CHEBI:66916 ! alanine zwitterion relationship: is_tautomer_of CHEBI:16977 ! L-alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:57981 name: D-phenylalanine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-phenylpropanoate" RELATED [IUPAC] synonym: "(2R)-2-azaniumyl-3-phenylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-phenylalanine" RELATED [UniProt] xref: MetaCyc:CPD-216 is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_enantiomer_of CHEBI:58095 ! L-phenylalanine zwitterion relationship: is_tautomer_of CHEBI:16998 ! D-phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:57986 name: riboflavin(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of riboflavin resulting from the removal of a proton from the nitrogen at position 3 (between the two carbonyl groups). Major microspecies at pH 7.3." [] subset: 3_STAR synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-D-ribitol" EXACT IUPAC_NAME [IUPAC] synonym: "7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide" RELATED [ChEBI] synonym: "riboflavin" RELATED [UniProt] synonym: "riboflavin anion" RELATED [ChEBI] synonym: "vitamin B2(1-)" RELATED [ChEBI] xref: Beilstein:4924198 {source="Beilstein"} xref: Chemspider:26330994 xref: MetaCyc:RIBOFLAVIN is_a: CHEBI:176838 ! vitamin B2 is_a: CHEBI:60531 ! flavin(1-) relationship: has_role CHEBI:23357 ! cofactor relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:17015 ! riboflavin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1/t11-,12+,14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUNGANRZJHBGPY-SCRDCRAPSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "375.35600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.13101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[n-]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C" xsd:string [Term] id: CHEBI:58000 name: D-glutamine zwitterion namespace: chebi_ontology def: "Zwitterionic form of D-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-5-amino-2-ammonio-5-oxopentanoate" RELATED [ChEBI] synonym: "(2R)-5-amino-2-azaniumyl-5-oxopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17061 ! D-glutamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-GSVOUGTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.14450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)CC[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:58001 name: primary aliphatic ammonium ion namespace: chebi_ontology def: "The conjugate acid of a primary aliphatic amine." [] subset: 3_STAR synonym: "an aliphatic amine" RELATED [UniProt] synonym: "primary aliphatic ammonium cation" RELATED [ChEBI] synonym: "primary aliphatic ammonium cations" RELATED [ChEBI] synonym: "primary aliphatic ammonium ions" RELATED [ChEBI] is_a: CHEBI:65296 ! primary ammonium ion relationship: is_conjugate_acid_of CHEBI:17062 ! primary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.05710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.04220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C[*]" xsd:string [Term] id: CHEBI:58007 name: streptomycin(3+) namespace: chebi_ontology def: "Trication of streptomycin arising from protonation of the guanidino and secondary amino groups." [] subset: 3_STAR synonym: "(1R,2R,3S,4R,5R,6S)-2,4-bis{[amino(iminio)methyl]amino}-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylammonio)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranoside" EXACT IUPAC_NAME [IUPAC] synonym: "streptomycin" RELATED [UniProt] synonym: "streptomycin trication" RELATED [ChEBI] is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:17076 ! streptomycin property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H42N7O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCSJYZPVAKXKNQ-HZYVHMACSA-Q" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "584.59790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "584.28750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1NC(N)=[NH2+]" xsd:string [Term] id: CHEBI:58040 name: dimethylaminium namespace: chebi_ontology def: "An organic cation that is the conjugate acid of dimethylamine; major species at pH 7.3." [] subset: 3_STAR synonym: "dimethylamine" RELATED [UniProt] synonym: "dimethylaminium cation" RELATED [ChEBI] synonym: "dimethylazanium" RELATED [ChEBI] synonym: "N-methylmethanaminium" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:DIMETHYLAMINE is_a: CHEBI:58855 ! secondary aliphatic ammonium ion relationship: is_conjugate_acid_of CHEBI:17170 ! dimethylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROSDSFDQCJNGOL-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.09160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.06513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+]C" xsd:string [Term] id: CHEBI:58043 name: nucleoside 5'-monophosphate(2-) namespace: chebi_ontology alt_id: CHEBI:85513 def: "The dianion of a nucleoside monophosphate: major species at pH 7.3." [] subset: 3_STAR synonym: "5'-ribonucleotide(2-)" RELATED [ChEBI] synonym: "a ribonucleoside 5'-phosphate" RELATED [UniProt] synonym: "nucleoside monophosphate anion" RELATED [ChEBI] synonym: "nucleoside monophosphate anions" RELATED [ChEBI] synonym: "nucleoside monophosphate dianion" RELATED [ChEBI] synonym: "nucleoside monophosphate dianions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:17188 ! nucleoside 5'-monophosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.08660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.00076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*]" xsd:string [Term] id: CHEBI:58046 name: 3,5-dibromo-4-oxidobenzonitrile(1-) namespace: chebi_ontology def: "The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3." [] subset: 3_STAR synonym: "2,6-dibromo-4-cyanobenzen-1-olate" RELATED [ChEBI] synonym: "2,6-dibromo-4-cyanophenolate" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-dibromo-4-cyanophenolate anion" RELATED [ChEBI] synonym: "3,5-dibromo-4-hydroxybenzonitrile" RELATED [UniProt] synonym: "3,5-dibromo-4-oxidobenzonitrile" RELATED [ChEBI] synonym: "3,5-dibromo-4-oxidobenzonitrile anion" RELATED [ChEBI] is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:17192 ! 3,5-dibromo-4-hydroxybenzonitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H2Br2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UPMXNNIRAGDFEH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.90500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.85086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1c(Br)cc(cc1Br)C#N" xsd:string [Term] id: CHEBI:580604 name: (R)-ketamine namespace: chebi_ontology def: "The R- (less active) enantiomer of ketamine." [] subset: 3_STAR synonym: "(+)-ketamine" RELATED [ChEBI] synonym: "(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone" RELATED [ChemIDplus] synonym: "(R)-(+)-ketamine" RELATED [ChEBI] xref: Patent:DE2062620 xref: Patent:GB1330878 xref: Reaxys:6892977 {source="Reaxys"} is_a: CHEBI:6121 ! ketamine relationship: is_enantiomer_of CHEBI:60799 ! esketamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQEZLKZALYSWHR-CYBMUJFWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.72500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "237.09204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@]1(CCCCC1=O)c1ccccc1Cl" xsd:string [Term] id: CHEBI:58072 name: carbon monoxide(1+) namespace: chebi_ontology def: "Conjugate acid of carbon monoxide arising from protonation of the carbon; major species at pH 7.3." [] subset: 3_STAR synonym: "CO(1+)" RELATED [ChEBI] synonym: "methylidyneoxidanium" RELATED [ChEBI] synonym: "methylidyneoxonium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:17245 ! carbon monoxide property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHO/c1-2/h1H/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPRMKTHGXOVKEH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00219" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C#[O+]" xsd:string [Term] id: CHEBI:58095 name: L-phenylalanine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-phenylpropanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumyl-3-phenylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-phenylalanine" RELATED [UniProt] synonym: "phenylalanine" RELATED [ChEBI] xref: MetaCyc:PHE xref: PMID:21956539 {source="Europe PMC"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_enantiomer_of CHEBI:57981 ! D-phenylalanine zwitterion relationship: is_tautomer_of CHEBI:17295 ! L-phenylalanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18910" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:58097 name: morphine(1+) namespace: chebi_ontology def: "The conjugate acid of morphine arising from protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-3,6alpha-diol" EXACT IUPAC_NAME [IUPAC] synonym: "morphine" RELATED [UniProt] synonym: "morphine cation" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:17303 ! morphine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/p+1/t10-,11+,13-,16-,17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQJCRHHNABKAKU-KBQPJGBKSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.34560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.14377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1[NH+](C)CC[C@@]23c45" xsd:string [Term] id: CHEBI:58104 name: nucleoside 5'-triphoshate(3-) namespace: chebi_ontology def: "Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups." [] subset: 3_STAR synonym: "NTP trianion" RELATED [ChEBI] synonym: "NTP(3-)" RELATED [ChEBI] synonym: "nucleoside triphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate trianion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate(3-)" RELATED [ChEBI] is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_acid_of CHEBI:61557 ! nucleoside 5'-triphoshate(4-) relationship: is_conjugate_base_of CHEBI:17326 ! nucleoside 5'-triphoshate property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O13P3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "370.039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.92560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])O)(=O)[O-])(=O)[O-]" xsd:string [Term] id: CHEBI:58115 name: guanosine 5'-monophosphate(2-) namespace: chebi_ontology def: "A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of GMP." [] subset: 3_STAR synonym: "5'-O-phosphonatoguanosine" EXACT IUPAC_NAME [IUPAC] synonym: "GMP" RELATED [UniProt] synonym: "GMP" RELATED [ChEBI] synonym: "GMP dianion" RELATED [ChEBI] synonym: "GMP(2-)" RELATED [ChEBI] synonym: "guanosine 5'-phosphate" RELATED [ChEBI] synonym: "guanosine 5'-phosphate dianion" RELATED [ChEBI] synonym: "guanosine 5'-phosphate(2-)" RELATED [ChEBI] xref: PMID:19527031 {source="Europe PMC"} xref: Reaxys:3598735 {source="Reaxys"} is_a: CHEBI:58043 ! nucleoside 5'-monophosphate(2-) relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17345 ! guanosine 5'-monophosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N5O8P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQFCJASXJCIDSX-UUOKFMHZSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "361.20470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.04345" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:58123 name: (2S)-2-hydroxy monocarboxylic acid anion namespace: chebi_ontology alt_id: CHEBI:61394 alt_id: CHEBI:70794 def: "A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (S)-stereochemistry; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-hydroxy monocarboxylate" RELATED [ChEBI] synonym: "(2S)-2-hydroxy monocarboxylates" RELATED [ChEBI] synonym: "(2S)-2-hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "(2S)-2-hydroxycarboxylate" RELATED [ChEBI] synonym: "(2S)-alpha-hydroxy monocarboxylic acid anion" RELATED [ChEBI] synonym: "(2S)-alpha-hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "(S)-2-hydroxyacid anion" RELATED [ChEBI] synonym: "(S)-2-hydroxyacid anions" RELATED [ChEBI] synonym: "a (2S)-2-hydroxycarboxylate" RELATED [UniProt] xref: PMID:10850983 {source="SUBMITTER"} is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:17375 ! (2S)-2-hydroxy monocarboxylic acid relationship: is_enantiomer_of CHEBI:58314 ! (2R)-2-hydroxy monocarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.03550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:58165 name: 3',5'-cyclic AMP(1-) namespace: chebi_ontology def: "An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3." [] subset: 3_STAR synonym: "3',5'-cyclic AMP" RELATED [UniProt] synonym: "3',5'-cyclic AMP anion" RELATED [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate" RELATED [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate anion" RELATED [ChEBI] synonym: "adenosine 3',5'-cyclic monophosphate(1-)" RELATED [ChEBI] synonym: "adenosine 3',5'-phosphate" EXACT IUPAC_NAME [IUPAC] xref: PMID:7870041 {source="Europe PMC"} xref: PMID:7870042 {source="Europe PMC"} xref: Reaxys:3720459 {source="Reaxys"} is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:17489 ! 3',5'-cyclic AMP property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11N5O6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IVOMOUWHDPKRLL-KQYNXXCUSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.19800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.04524" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O" xsd:string [Term] id: CHEBI:58217 name: pentachlorophenolate namespace: chebi_ontology def: "A phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3." [] subset: 3_STAR synonym: "2,3,4,5,6-pentachlorobenzen-1-olate" RELATED [ChEBI] synonym: "pentachlorophenol" RELATED [UniProt] synonym: "pentachlorophenolate" EXACT [ChEBI] synonym: "pentachlorophenolate anion" RELATED [ChEBI] synonym: "pentachlorophenolate(1-)" RELATED [ChEBI] synonym: "pentachlorophenoxide" RELATED [ChEBI] xref: PMID:8680829 {source="Europe PMC"} xref: Reaxys:3613001 {source="Reaxys"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:17642 ! pentachlorophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6Cl5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IZUPBVBPLAPZRR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.32900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.83973" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:58314 name: (2R)-2-hydroxy monocarboxylic acid anion namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (R)-stereochemistry; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "(2R)-2-hydroxycarboxylate" RELATED [ChEBI] synonym: "(2R)-alpha-hydroxy monocarboxylic acid anion" RELATED [ChEBI] synonym: "(2R)-alpha-hydroxy monocarboxylic acid anions" RELATED [ChEBI] synonym: "(R)-2-hydroxyacid anion" RELATED [ChEBI] synonym: "(R)-2-hydroxyacid anions" RELATED [ChEBI] synonym: "a (2R)-2-hydroxycarboxylate" RELATED [UniProt] xref: MetaCyc:2R-hydroxy-carboxylates is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:17893 ! (2R)-2-hydroxy monocarboxylic acid relationship: is_enantiomer_of CHEBI:58123 ! (2S)-2-hydroxy monocarboxylic acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.036" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.00039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:58315 name: L-tyrosine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-tyrosine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate" RELATED [IUPAC] synonym: "(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-tyrosine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:32760 ! L-tyrosinate(1-) relationship: is_conjugate_base_of CHEBI:32762 ! L-tyrosinium relationship: is_tautomer_of CHEBI:17895 ! L-tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:58359 name: L-glutamine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-glutamine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-5-amino-2-ammonio-5-oxopentanoate" RELATED [IUPAC] synonym: "(2S)-5-amino-2-azaniumyl-5-oxopentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamine" RELATED [UniProt] xref: MetaCyc:GLN xref: PMID:17190852 {source="Europe PMC"} is_a: CHEBI:62031 ! polar amino acid zwitterion relationship: has_role CHEBI:25212 ! metabolite relationship: is_tautomer_of CHEBI:18050 ! L-glutamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.14450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)CC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:58360 name: 1-aminocyclopropanecarboxylic acid zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 1-aminocyclopropanecarboxylic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "1-aminocyclopropane-1-carboxylate" RELATED [UniProt] synonym: "1-ammoniocyclopropanecarboxylate" RELATED [IUPAC] synonym: "1-azaniumylcyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] xref: MetaCyc:CPD-68 is_a: CHEBI:35238 ! amino acid zwitterion relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:30526 ! 1-aminocyclopropanecarboxylate relationship: is_tautomer_of CHEBI:18053 ! 1-aminocyclopropanecarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAJPWUMXBYXFCZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.10390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C1(CC1)C([O-])=O" xsd:string [Term] id: CHEBI:58389 name: trimethylammonium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3." [] subset: 3_STAR synonym: "N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "trimethylamine" RELATED [UniProt] synonym: "trimethylammonium cation" RELATED [ChEBI] synonym: "trimethylazanium" RELATED [ChEBI] synonym: "trimethylazanium cation" RELATED [ChEBI] xref: MetaCyc:TRIMETHYLAMINE xref: Reaxys:16709444 {source="Reaxys"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:18139 ! trimethylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H10N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.11820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.08078" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)C" xsd:string [Term] id: CHEBI:58429 name: alpha,alpha-trehalose 6-phosphate(2-) namespace: chebi_ontology def: "Dianion of alpha,alpha-trehalose 6-phosphate." [] subset: 3_STAR synonym: "alpha,alpha-trehalose 6-phosphate" RELATED [UniProt] synonym: "alpha-D-glucopyranosyl 6-O-phosphonato-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3744918 {source="Beilstein"} is_a: CHEBI:58945 ! organophosphate oxoanion relationship: has_functional_parent CHEBI:16551 ! alpha,alpha-trehalose relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:18283 ! alpha,alpha-trehalose 6-phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H21O14P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LABSPYBHMPDTEL-LIZSDCNHSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "420.26050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "420.06799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:58431 name: jasmonate(1-) namespace: chebi_ontology def: "A 5-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of jasmonic acid. The major species at pH 7.3." [] subset: 3_STAR synonym: "jasmonate" RELATED [UniProt] synonym: "{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:136184 ! jasmonic acid anion is_a: CHEBI:167055 ! Jasmonate derivatives relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:18292 ! jasmonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNJFBWYDHIGLCU-HWKXXFMVSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "209.26210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.11832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C=C/C[C@@H]1[C@@H](CC([O-])=O)CCC1=O" xsd:string [Term] id: CHEBI:58432 name: histaminium namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen." [] subset: 3_STAR synonym: "2-(1H-imidazol-4-yl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "histamine" RELATED [UniProt] synonym: "histaminium cation" RELATED [ChEBI] is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:75771 ! mouse metabolite relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:18295 ! histamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTYJJOPFIAHURM-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.15300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.08692" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCc1c[nH]cn1" xsd:string [Term] id: CHEBI:58448 name: L-thyroxine zwitterion namespace: chebi_ontology def: "Zwitterionic form of L-thyroxine." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-thyroxine" RELATED [UniProt] is_a: CHEBI:305790 ! thyroxine zwitterion relationship: is_tautomer_of CHEBI:18332 ! L-thyroxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "776.87000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "776.68669" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O" xsd:string [Term] id: CHEBI:58464 name: nucleoside 3',5'-cyclic phosphate anion namespace: chebi_ontology def: "The conjugate base of a nucleoside 3',5'-cyclic phosphate." [] subset: 3_STAR synonym: "a nucleoside 3',5'-cyclic phosphate" RELATED [UniProt] synonym: "nucleoside 3',5'-cyclic phosphate anions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:18375 ! nucleoside 3',5'-cyclic phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6O5PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.07190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.99528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P1(=O)OC[C@H]2O[C@@H]([*])[C@H]([*])[C@@H]2O1" xsd:string [Term] id: CHEBI:5855 name: ibuprofen namespace: chebi_ontology def: "A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group." [] subset: 3_STAR synonym: "(+-)-2-(p-isobutylphenyl)propionic acid" RELATED [ChemIDplus] synonym: "(+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid" RELATED [ChemIDplus] synonym: "(+-)-ibuprofen" RELATED [ChemIDplus] synonym: "(+-)-p-isobutylhydratropic acid" RELATED [ChemIDplus] synonym: "(4-isobutylphenyl)-alpha-methylacetic acid" RELATED [ChemIDplus] synonym: "(RS)-ibuprofen" RELATED [ChemIDplus] synonym: "2-(4-isobutylphenyl)propanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "2-[4-(2-methylpropyl)phenyl]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-isobutylhydratropic acid" RELATED [ChemIDplus] synonym: "Adran" RELATED BRAND_NAME [DrugBank] synonym: "Advil" RELATED BRAND_NAME [DrugBank] synonym: "alpha-(4-isobutylphenyl)propionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-(p-isobutylphenyl)propionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Amibufen" RELATED BRAND_NAME [DrugBank] synonym: "Anco" RELATED BRAND_NAME [DrugBank] synonym: "Anflagen" RELATED BRAND_NAME [DrugBank] synonym: "Apsifen" RELATED BRAND_NAME [DrugBank] synonym: "Bluton" RELATED BRAND_NAME [DrugBank] synonym: "Brufen" RELATED BRAND_NAME [DrugBank] synonym: "Brufort" RELATED BRAND_NAME [DrugBank] synonym: "Buburone" RELATED BRAND_NAME [DrugBank] synonym: "Butylenin" RELATED BRAND_NAME [DrugBank] synonym: "Dolgin" RELATED BRAND_NAME [DrugBank] synonym: "Dolgirid" RELATED BRAND_NAME [DrugBank] synonym: "Dolgit" RELATED BRAND_NAME [DrugBank] synonym: "Dolo-Dolgit" RELATED BRAND_NAME [DrugBank] synonym: "Ebufac" RELATED BRAND_NAME [DrugBank] synonym: "Epobron" RELATED BRAND_NAME [DrugBank] synonym: "Femadon" RELATED BRAND_NAME [DrugBank] synonym: "Haltran" RELATED BRAND_NAME [DrugBank] synonym: "Ibu-Attritin" RELATED BRAND_NAME [DrugBank] synonym: "Ibumetin" RELATED BRAND_NAME [DrugBank] synonym: "Ibuprocin" RELATED BRAND_NAME [DrugBank] synonym: "Ibuprofen" EXACT [KEGG_COMPOUND] synonym: "Ibutid" RELATED BRAND_NAME [DrugBank] synonym: "Inabrin" RELATED BRAND_NAME [DrugBank] synonym: "Inoven" RELATED BRAND_NAME [DrugBank] synonym: "Lamidon" RELATED BRAND_NAME [DrugBank] synonym: "Lebrufen" RELATED BRAND_NAME [DrugBank] synonym: "Liptan" RELATED BRAND_NAME [DrugBank] synonym: "Medipren" RELATED BRAND_NAME [DrugBank] synonym: "Motrin" RELATED [ChemIDplus] synonym: "Motrin" RELATED BRAND_NAME [DrugBank] synonym: "Mynosedin" RELATED BRAND_NAME [DrugBank] synonym: "Nobfen" RELATED BRAND_NAME [DrugBank] synonym: "Nobgen" RELATED BRAND_NAME [DrugBank] synonym: "Nuprin" RELATED BRAND_NAME [DrugBank] synonym: "Nurofen" RELATED BRAND_NAME [DrugBank] synonym: "Pediaprofen" RELATED BRAND_NAME [DrugBank] synonym: "Roidenin" RELATED BRAND_NAME [DrugBank] synonym: "Rufen" RELATED BRAND_NAME [DrugBank] synonym: "Seclodin" RELATED BRAND_NAME [DrugBank] synonym: "Suspren" RELATED BRAND_NAME [DrugBank] synonym: "Tabalon" RELATED BRAND_NAME [DrugBank] synonym: "Trendar" RELATED BRAND_NAME [DrugBank] synonym: "Urem" RELATED BRAND_NAME [DrugBank] xref: Beilstein:2049713 {source="ChemIDplus"} xref: CAS:15687-27-1 {source="NIST Chemistry WebBook"} xref: CAS:15687-27-1 {source="ChemIDplus"} xref: CAS:15687-27-1 {source="KEGG COMPOUND"} xref: Drug_Central:1407 {source="DrugCentral"} xref: DrugBank:DB01050 xref: HMDB:HMDB0001925 xref: KEGG:C01588 xref: KEGG:D00126 xref: LINCS:LSM-1354 xref: Patent:GB971700 xref: Patent:US3228831 xref: Patent:US3385886 xref: Patent:US5215755 xref: Patent:US6727286 xref: PMID:11433218 {source="Europe PMC"} xref: PMID:12723739 {source="Europe PMC"} xref: PMID:14562167 {source="Europe PMC"} xref: PMID:15506544 {source="Europe PMC"} xref: PMID:16176022 {source="Europe PMC"} xref: PMID:18335846 {source="Europe PMC"} xref: PMID:18697608 {source="Europe PMC"} xref: PMID:21368281 {source="Europe PMC"} xref: PMID:24168233 {source="Europe PMC"} xref: PMID:25521617 {source="Europe PMC"} xref: PMID:25708941 {source="Europe PMC"} xref: PMID:25915907 {source="Europe PMC"} xref: PMID:29756342 {source="Europe PMC"} xref: Reaxys:2049713 {source="Reaxys"} xref: Wikipedia:Ibuprofen is_a: CHEBI:25384 ! monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48578 ! radical scavenger relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:132922 ! ibuprofen(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEFNNWSXXWATRW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.28082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.13068" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)Cc1ccc(cc1)C(C)C(O)=O" xsd:string [Term] id: CHEBI:58570 name: D-tyrosine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-tyrosine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-(4-hydroxyphenyl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-tyrosine" RELATED [UniProt] xref: MetaCyc:D-TYROSINE is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:28479 ! D-tyrosine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccc(O)cc1)C([O-])=O" xsd:string [Term] id: CHEBI:5864 name: ifosfamide namespace: chebi_ontology alt_id: CHEBI:219640 def: "The simplest member of the class of ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer." [] subset: 3_STAR synonym: "3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide" RELATED [ChemIDplus] synonym: "ifosfamida" RELATED INN [ChemIDplus] synonym: "ifosfamide" RELATED INN [ChemIDplus] synonym: "ifosfamidum" RELATED INN [ChemIDplus] synonym: "Iphosphamide" RELATED [DrugBank] synonym: "Isofosfamide" RELATED [DrugBank] synonym: "Isophosphamide" RELATED [ChemIDplus] synonym: "Isophosphamide" RELATED [KEGG_COMPOUND] synonym: "isosfamide" RELATED [ChEBI] synonym: "N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:611835 {source="Beilstein"} xref: CAS:3778-73-2 {source="ChemIDplus"} xref: CAS:3778-73-2 {source="KEGG COMPOUND"} xref: Drug_Central:1421 {source="DrugCentral"} xref: DrugBank:DB01181 xref: HMDB:HMDB0015312 xref: KEGG:C07047 xref: KEGG:D00343 xref: LINCS:LSM-5118 xref: PMID:11550152 {source="Europe PMC"} xref: PMID:11669554 {source="Europe PMC"} xref: Reaxys:5802893 {source="Reaxys"} xref: Wikipedia:Ifosfamide is_a: CHEBI:55369 ! ifosfamides relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H15Cl2N2O2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HOMGKSMUEGBAAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.08600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.02482" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCNP1(=O)OCCCN1CCCl" xsd:string [Term] id: CHEBI:5870 name: imidacloprid namespace: chebi_ontology def: "An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1." [] subset: 3_STAR synonym: "1-((6-chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine" RELATED [ChemIDplus] synonym: "1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine" RELATED [ChemIDplus] synonym: "1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine" EXACT IUPAC_NAME [IUPAC] synonym: "IMD" RELATED [ChEBI] synonym: "Imidacloprid" EXACT [KEGG_COMPOUND] xref: Beilstein:5444268 {source="Beilstein"} xref: CAS:105827-78-9 {source="ChemIDplus"} xref: CAS:138261-41-3 {source="ChemIDplus"} xref: CAS:138261-41-3 {source="KEGG COMPOUND"} xref: KEGG:C11110 xref: Patent:EP192060 xref: Patent:US4742060 xref: Pesticides:imidacloprid {source="Alan Wood's Pesticides"} xref: PMID:11502148 {source="Europe PMC"} xref: PMID:11673842 {source="Europe PMC"} xref: PMID:11699773 {source="Europe PMC"} xref: PMID:11872245 {source="Europe PMC"} xref: PMID:12146171 {source="Europe PMC"} xref: PMID:12720336 {source="Europe PMC"} xref: PMID:14690387 {source="Europe PMC"} xref: PMID:14747770 {source="Europe PMC"} xref: PMID:15154510 {source="Europe PMC"} xref: PMID:15212911 {source="Europe PMC"} xref: PMID:15246549 {source="Europe PMC"} xref: PMID:15922528 {source="Europe PMC"} xref: PMID:16156564 {source="Europe PMC"} xref: PMID:16160767 {source="Europe PMC"} xref: PMID:16406588 {source="Europe PMC"} xref: PMID:16453147 {source="Europe PMC"} xref: PMID:16539142 {source="Europe PMC"} xref: PMID:16690142 {source="Europe PMC"} xref: PMID:16845714 {source="Europe PMC"} xref: PMID:18069649 {source="Europe PMC"} xref: PMID:18188485 {source="Europe PMC"} xref: PMID:18190949 {source="Europe PMC"} xref: PMID:18348816 {source="Europe PMC"} xref: PMID:18924117 {source="Europe PMC"} xref: PMID:18973940 {source="Europe PMC"} xref: PMID:18977458 {source="Europe PMC"} xref: PMID:19916392 {source="Europe PMC"} xref: PMID:19962320 {source="Europe PMC"} xref: PMID:22022787 {source="Europe PMC"} xref: PMID:22083888 {source="Europe PMC"} xref: PMID:22119037 {source="Europe PMC"} xref: PMID:22200056 {source="Europe PMC"} xref: PMID:22224401 {source="Europe PMC"} xref: PMID:22228315 {source="Europe PMC"} xref: PMID:22290795 {source="Europe PMC"} xref: PMID:22370410 {source="Europe PMC"} xref: PMID:22375594 {source="Europe PMC"} xref: PMID:22375595 {source="Europe PMC"} xref: PMID:22395200 {source="Europe PMC"} xref: PMID:22398690 {source="Europe PMC"} xref: PMID:22420257 {source="Europe PMC"} xref: PMID:22447470 {source="Europe PMC"} xref: PMID:22459587 {source="Europe PMC"} xref: PMID:22461500 {source="Europe PMC"} xref: PMID:24515672 {source="Europe PMC"} xref: PMID:25155403 {source="Europe PMC"} xref: PMID:25314907 {source="Europe PMC"} xref: PMID:25342464 {source="Europe PMC"} xref: PMID:25467410 {source="Europe PMC"} xref: PMID:25492586 {source="Europe PMC"} xref: PMID:25557105 {source="Europe PMC"} xref: PMID:25597673 {source="Europe PMC"} xref: PMID:25607931 {source="Europe PMC"} xref: PMID:25612154 {source="Europe PMC"} xref: PMID:25618634 {source="Europe PMC"} xref: PMID:25666568 {source="Europe PMC"} xref: PMID:25755197 {source="Europe PMC"} xref: PMID:25799432 {source="Europe PMC"} xref: PMID:25826181 {source="Europe PMC"} xref: PMID:25837412 {source="Europe PMC"} xref: PMID:25840341 {source="Europe PMC"} xref: PMID:34634905 {source="Europe PMC"} xref: Reaxys:5444268 {source="Reaxys"} xref: Wikipedia:Imidacloprid is_a: CHEBI:38261 ! imidazolidines is_a: CHEBI:39172 ! monochloropyridine relationship: has_functional_parent CHEBI:39174 ! 2-chloropyridine relationship: has_role CHEBI:25540 ! neonicotinoid insectide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50902 ! genotoxin relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10ClN5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YWTYJOPNNQFBPC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.66100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.05230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)nc1" xsd:string [Term] id: CHEBI:58717 name: S-substituted L-cysteine zwitterion namespace: chebi_ontology alt_id: CHEBI:74258 def: "The zwitterionic form of an S-substituted L-cysteine." [] subset: 3_STAR synonym: "an S-substituted L-cysteine" RELATED [UniProt] synonym: "S-substituted L-cysteine zwitterions" RELATED [ChEBI] xref: MetaCyc:S-Substituted-L-Cysteines {source="SUBMITTER"} xref: PMID:17012540 {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:47910 ! S-substituted L-cysteine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.151" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CS[*])C([O-])=O" xsd:string [Term] id: CHEBI:58855 name: secondary aliphatic ammonium ion namespace: chebi_ontology def: "A secondary aliphatic amine protonated on nitrogen." [] subset: 3_STAR synonym: "a secondary aliphatic amine" RELATED [UniProt] is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:50981 ! secondary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4NR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.04920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.03437" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C[NH2+][*]" xsd:string [Term] id: CHEBI:58945 name: organophosphate oxoanion namespace: chebi_ontology def: "An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated." [] subset: 3_STAR synonym: "organophosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:26079 ! phosphoric acid derivative [Term] id: CHEBI:58950 name: very long-chain fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion with a chain length greater than C22." [] subset: 3_STAR synonym: "a very long-chain fatty acid" RELATED [UniProt] synonym: "very long-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:27283 ! very long-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:58951 name: short-chain fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6)." [] subset: 3_STAR synonym: "a short-chain fatty acid" RELATED [UniProt] synonym: "short-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:26666 ! short-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:58953 name: saturated fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion in which there is no C-C unsaturation." [] subset: 3_STAR synonym: "saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion [Term] id: CHEBI:58954 name: straight-chain saturated fatty acid anion namespace: chebi_ontology def: "Any saturated fatty acid anion lacking a carbon side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58953 ! saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:39418 ! straight-chain saturated fatty acid [Term] id: CHEBI:58955 name: branched-chain fatty acid anion namespace: chebi_ontology def: "Any fatty acid anion with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:35819 ! branched-chain fatty acid [Term] id: CHEBI:58956 name: branched-chain saturated fatty acid anion namespace: chebi_ontology def: "Any saturated fatty acid anion with a carbon side-chain or isopropyl termination." [] subset: 3_STAR synonym: "branched-chain saturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58953 ! saturated fatty acid anion is_a: CHEBI:58955 ! branched-chain fatty acid anion relationship: is_conjugate_base_of CHEBI:39417 ! branched-chain saturated fatty acid [Term] id: CHEBI:58958 name: organosulfate oxoanion namespace: chebi_ontology def: "An organic anion of general formula RS(=O)2O(-) where R is an organyl group." [] subset: 3_STAR synonym: "organosulfate oxoanions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:33482 ! sulfur oxoanion relationship: has_functional_parent CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:25704 ! organic sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:589779 name: piperidinium namespace: chebi_ontology def: "The conjugate acid of piperidine; major species at pH 7.3." [] subset: 3_STAR synonym: "hexahydropyridinium" RELATED [ChEBI] synonym: "piperidine" RELATED [UniProt] synonym: "piperidinium" EXACT IUPAC_NAME [IUPAC] synonym: "piperidinium cation" RELATED [ChEBI] synonym: "piperidinium(1+)" RELATED [ChEBI] xref: Gmelin:239816 {source="Gmelin"} xref: MetaCyc:PIPERIDINE is_a: CHEBI:137419 ! secondary ammonium ion relationship: is_conjugate_acid_of CHEBI:18049 ! piperidine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQRYJNQNLNOLGT-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.09643" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCC[NH2+]1" xsd:string [Term] id: CHEBI:59001 name: 4-vinylcyclohexene dioxide namespace: chebi_ontology def: "The diepoxide of 4-vinylcyclohexene." [] subset: 3_STAR synonym: "1-Epoxyethyl-3,4-epoxycyclohexane" RELATED [ChemIDplus] synonym: "1-Ethyleneoxy-3,4-epoxycyclohexane" RELATED [ChemIDplus] synonym: "1-Vinyl-3-cyclohexene dioxide" RELATED [ChemIDplus] synonym: "3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane" RELATED [ChemIDplus] synonym: "3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane" RELATED [ChemIDplus] synonym: "3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane" EXACT IUPAC_NAME [IUPAC] synonym: "3-Oxiranyl-7-oxabicyclo(4.1.0)heptane" RELATED [ChemIDplus] synonym: "4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane" RELATED [ChemIDplus] synonym: "4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane" RELATED [ChemIDplus] synonym: "4-Vinyl-1,2-cyclohexene diepoxide" RELATED [ChemIDplus] synonym: "4-Vinyl-1-cyclohexene dioxide" RELATED [ChemIDplus] synonym: "4-Vinylcyclohexene diepoxide" RELATED [ChemIDplus] synonym: "Vinyl cyclohexene diepoxide" RELATED [ChemIDplus] synonym: "Vinyl cyclohexene dioxide" RELATED [ChemIDplus] xref: Beilstein:106071 {source="Beilstein"} xref: CAS:106-87-6 {source="KEGG COMPOUND"} xref: CAS:106-87-6 {source="ChemIDplus"} xref: KEGG:C19311 xref: PMID:3356477 {source="Europe PMC"} xref: PMID:7496092 {source="Europe PMC"} xref: Reaxys:106071 {source="Reaxys"} is_a: CHEBI:32955 ! epoxide relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OECTYKWYRCHAKR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.17970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CC2OC2CC1C1CO1" xsd:string [Term] id: CHEBI:59050 name: dimethyl sulfate namespace: chebi_ontology alt_id: CHEBI:371544 def: "The dimethyl ester of sulfuric acid." [] subset: 3_STAR synonym: "Dimethoxysulfone" RELATED [NIST_Chemistry_WebBook] synonym: "Dimethyl monosulfate" RELATED [ChemIDplus] synonym: "dimethyl sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Dimethyl sulphate" RELATED [ChemIDplus] synonym: "DMS" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfate dimethylique" RELATED [ChemIDplus] synonym: "Sulfato de dimetilo" RELATED [ChemIDplus] synonym: "Sulfuric acid dimethyl ester" RELATED [ChEMBL] synonym: "Sulfuric acid, dimethyl ester" RELATED [SUBMITTER] xref: Beilstein:635994 {source="Beilstein"} xref: CAS:77-78-1 {source="ChemIDplus"} xref: CAS:77-78-1 {source="KEGG COMPOUND"} xref: CAS:77-78-1 {source="NIST Chemistry WebBook"} xref: KEGG:C19177 xref: PMID:2299638 {source="ChEMBL"} is_a: CHEBI:29281 ! alkyl sulfate relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35705 ! immunosuppressive agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAYGXNSJCAHWJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.13200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.99868" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COS(=O)(=O)OC" xsd:string [Term] id: CHEBI:59059 name: methyl isocyanate namespace: chebi_ontology def: "The isocyanate that is methane modified by a single isocyanato substituent." [] subset: 3_STAR synonym: "Iso-cyanatomethane" RELATED [ChemIDplus] synonym: "Isocyanate de methyle" RELATED [ChemIDplus] synonym: "isocyanatomethane" EXACT IUPAC_NAME [IUPAC] synonym: "isocyanatomethane" RELATED [ChEBI] synonym: "Methyl carbonimide" RELATED [ChemIDplus] synonym: "methyl isocyanate" EXACT [UniProt] synonym: "Methyl isocyanide" RELATED [ChemIDplus] synonym: "Methylcarbylamine" RELATED [ChemIDplus] synonym: "MIC" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:605318 {source="ChemIDplus"} xref: CAS:624-83-9 {source="ChemIDplus"} xref: CAS:624-83-9 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04337 xref: Gmelin:100500 {source="Gmelin"} xref: PMID:16091349 {source="Europe PMC"} xref: PMID:19494520 {source="Europe PMC"} xref: PMID:24081639 {source="Europe PMC"} xref: PMID:3622432 {source="Europe PMC"} xref: PMID:6821040 {source="Europe PMC"} xref: Reaxys:605318 {source="Reaxys"} is_a: CHEBI:53212 ! isocyanates relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:68495 ! apoptosis inducer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3NO/c1-3-2-4/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HAMGRBXTJNITHG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.05130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.02146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN=C=O" xsd:string [Term] id: CHEBI:59107 name: EC 3.4.24.* (metalloendopeptidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:76786 def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a metalloendopeptidase (EC 3.4.24.*)." [] subset: 3_STAR synonym: "EC 3.4.24.* (metalloendopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.24.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of metalloendopeptidases" RELATED [ChEBI] synonym: "inhibitor of metalloendopeptidases (EC 3.4.24.*)" RELATED [ChEBI] synonym: "inhibitors of metalloendopeptidases" RELATED [ChEBI] synonym: "inhibitors of metalloendopeptidases (EC 3.4.24.*)" RELATED [ChEBI] synonym: "metalloendopeptidase (EC 3.4.24.*) inhibitor" RELATED [ChEBI] synonym: "metalloendopeptidase (EC 3.4.24.*) inhibitors" RELATED [ChEBI] synonym: "metalloendopeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:37670 ! protease inhibitor [Term] id: CHEBI:59128 name: O-methylsalicylate namespace: chebi_ontology def: "Conjugate base of O-methylsalicylic acid." [] subset: 3_STAR synonym: "2-methoxybenzoate" RELATED [UniProt] synonym: "o-methoxybenzoic acid anion" RELATED [ChEBI] xref: Beilstein:3905613 {source="Beilstein"} xref: Gmelin:329974 {source="Gmelin"} xref: Reaxys:3905613 {source="Reaxys"} is_a: CHEBI:25236 ! methoxybenzoate relationship: is_conjugate_base_of CHEBI:421840 ! O-methylsalicylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H7O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ILUJQPXNXACGAN-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.13940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.04007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1C([O-])=O" xsd:string [Term] id: CHEBI:59132 name: antigen namespace: chebi_ontology def: "Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC)." [] subset: 3_STAR synonym: "antigens" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:59139 name: gibberellin carboxylic acid anion namespace: chebi_ontology def: "A carboxylic acid anion arising from deprotonation of one or more carboxy groups of any gibberellin." [] subset: 3_STAR synonym: "gibberellin monocarboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:24250 ! gibberellin [Term] id: CHEBI:59163 name: biomarker namespace: chebi_ontology def: "A substance used as an indicator of a biological state." [] subset: 3_STAR synonym: "biological marker" RELATED [ChEBI] is_a: CHEBI:47867 ! indicator [Term] id: CHEBI:59174 name: hapten namespace: chebi_ontology def: "Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals." [] subset: 3_STAR synonym: "haptens" RELATED [ChEBI] xref: PMID:17875790 {source="Europe PMC"} xref: PMID:17986299 {source="Europe PMC"} xref: PMID:19101624 {source="Europe PMC"} xref: PMID:291959 {source="Europe PMC"} xref: PMID:3782019 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:59202 name: straight-chain fatty acid namespace: chebi_ontology def: "Any fatty acid whose skeletal carbon atoms form an unbranched open chain." [] subset: 3_STAR synonym: "straight-chain fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59203 ! straight-chain fatty acid anion [Term] id: CHEBI:59203 name: straight-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid." [] subset: 3_STAR synonym: "straight-chain FA anion" RELATED [ChEBI] synonym: "straight-chain FA anions" RELATED [ChEBI] synonym: "straight-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59202 ! straight-chain fatty acid [Term] id: CHEBI:59238 name: cyclic fatty acid namespace: chebi_ontology def: "Any fatty acid containing anywhere in its structure a ring of atoms." [] subset: 3_STAR synonym: "acides gras cycliques" RELATED [ChEBI] synonym: "acidos grasos ciclicos" RELATED [ChEBI] synonym: "cyclic fatty acids" RELATED [ChEBI] synonym: "zyklische Fettsaeuren" RELATED [ChEBI] xref: PMID:17113094 {source="Europe PMC"} xref: PMID:9300789 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:5924 name: EC 3.4.21.* (serine endopeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the activity of a serine endopeptidase (EC 3.4.21.*)." [] subset: 3_STAR synonym: "EC 3.4.21.* (serine endopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.21.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.21.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of serine endopeptidase (EC 3.4.21.*)" RELATED [ChEBI] synonym: "inhibitor of serine endopeptidase (EC 3.4.21.*)s" RELATED [ChEBI] synonym: "serine endopeptidase inhibitor" RELATED [ChEBI] synonym: "serine endopeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:59282 name: kappa-opioid receptor agonist namespace: chebi_ontology def: "A compound that exhibits agonist activity at the kappa-opioid receptor." [] subset: 3_STAR synonym: "kappa-opioid agonist" RELATED [ChEBI] synonym: "kappa-opioid receptor agonists" RELATED [ChEBI] is_a: CHEBI:60603 ! kappa-opioid agent is_a: CHEBI:60606 ! opioid receptor agonist [Term] id: CHEBI:59326 name: prostaglandin carboxylic acid anion namespace: chebi_ontology def: "A prostanoid anion obtained by deprotonation of the carboxy group of any prostaglandin." [] subset: 3_STAR synonym: "prostaglandin carboxylic acid anions" RELATED [ChEBI] is_a: CHEBI:62943 ! prostanoid anion relationship: is_conjugate_base_of CHEBI:26333 ! prostaglandin [Term] id: CHEBI:59331 name: mephedrone namespace: chebi_ontology def: "An aromatic ketone that is propiophenone substituted at C-4 and at C-beta with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes." [] subset: 3_STAR synonym: "2-(methylamino)-1-(4-methylphenyl)propan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-methylephedrone" RELATED [ChEBI] synonym: "4-methylmethcathinone" RELATED [ChEBI] synonym: "4-MMC" RELATED [ChEBI] xref: Beilstein:2717770 {source="Beilstein"} xref: CAS:1189805-46-6 {source="ChemIDplus"} xref: HMDB:HMDB0041923 xref: Patent:US2012094316 xref: PMID:23949206 {source="Europe PMC"} xref: PMID:24446273 {source="Europe PMC"} xref: PMID:24456744 {source="Europe PMC"} xref: Reaxys:2717770 {source="Reaxys"} xref: Wikipedia:Mephedrone is_a: CHEBI:35338 ! amphetamines is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:76224 ! aromatic ketone relationship: has_functional_parent CHEBI:425902 ! propiophenone relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H15NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YELGFTGWJGBAQU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.24290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.11536" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(C)C(=O)c1ccc(C)cc1" xsd:string [Term] id: CHEBI:59338 name: methylammonium namespace: chebi_ontology alt_id: CHEBI:57913 def: "The conjugate acid of methylamine; major species at pH 7.3." [] subset: 3_STAR synonym: "methanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "methanaminium cation" RELATED [ChEBI] synonym: "methylamine" RELATED [UniProt] synonym: "methylaminium cation" RELATED [ChEBI] xref: Gmelin:130100 {source="Gmelin"} xref: MetaCyc:METHYLAMINE is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:16830 ! methylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH6N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N/c1-2/h2H2,1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAVYZALUXZFZLV-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.04948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH3+]" xsd:string [Term] id: CHEBI:59414 name: muramyl dipeptide namespace: chebi_ontology alt_id: CHEBI:378548 def: "A glycopeptide that is N-propionyl-L-alanyl-D-alpha-glutamine in which the pro-R hydrogen of the propionyl group has been replaced by the oxygen at position 3 of 2-acetamido-2-deoxy-beta-D-glucopyranose. A peptidoglycan constituent of both Gram-positive and Gram-negative bacteria." [] subset: 3_STAR synonym: "Acetylmuramyl-alanyl-isoglutamine" RELATED [ChemIDplus] synonym: "Acetylmuramyl-L-alanyl-D-isoglutamine" RELATED [SUBMITTER] synonym: "MDP" RELATED [SUBMITTER] synonym: "MurNAc-L-Ala-gamma-D-Glu" RELATED [ChEBI] synonym: "N-acetylmuramyl-L-alanyl-D-isoglutamine" RELATED [ChEBI] synonym: "N2-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine" RELATED [ChemIDplus] xref: Beilstein:5323915 {source="Beilstein"} xref: CAS:53678-77-6 {source="ChemIDplus"} xref: Patent:DE2450355 xref: Patent:US4235771 is_a: CHEBI:24396 ! glycopeptide relationship: has_role CHEBI:50847 ! immunological adjuvant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H32N4O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BSOQXXWZTUDTEL-ZUYCGGNHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "492.47760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "492.20676" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O" xsd:string [Term] id: CHEBI:59499 name: EC 3.4.13.* (dipeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the action of a dipeptidase (EC 3.4.13.*)." [] subset: 3_STAR synonym: "dipeptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.13.* (dipeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.13.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.13.* inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:59512 name: cilastatin(1-) namespace: chebi_ontology def: "The anion resulting from the removal of a proton from a carboxylic acid group of cilastatin." [] subset: 3_STAR synonym: "(2R)-2-amino-3-{[(5Z)-6-carboxy-6-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hex-5-en-1-yl]sulfanyl}propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoate" RELATED [IUPAC] synonym: "cilastatin anion" RELATED [ChEBI] xref: Beilstein:8168990 {source="Beilstein"} is_a: CHEBI:35695 ! dicarboxylic acid monoanion relationship: is_conjugate_base_of CHEBI:3697 ! cilastatin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H25N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p-1/b12-6-/t10-,11+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHSUYTOATWAVLW-WFVMDLQDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "357.44500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.14897" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C[C@@H]1C(=O)N\\C(C(O)=O)=C/CCCCSC[C@H](N)C([O-])=O" xsd:string [Term] id: CHEBI:59517 name: DNA synthesis inhibitor namespace: chebi_ontology def: "Any substance that inhibits the synthesis of DNA." [] subset: 3_STAR synonym: "DNA synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:59527 name: naproxen(1-) namespace: chebi_ontology def: "The anion formed from naproxen by loss of a proton from the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-(6-methoxynaphthalen-2-yl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "naproxen" RELATED [ChEBI] xref: Beilstein:4461309 {source="Beilstein"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:7476 ! naproxen property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H13O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CMWTZPSULFXXJA-VIFPVBQESA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.25120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.08702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O" xsd:string [Term] id: CHEBI:59544 name: phosphoantigen namespace: chebi_ontology def: "Any antigen that is a phosphorylated microbial metabolite which activates an immune response in humans." [] subset: 3_STAR synonym: "phosphoantigens" RELATED [ChEBI] is_a: CHEBI:59132 ! antigen [Term] id: CHEBI:59549 name: essential fatty acid namespace: chebi_ontology def: "Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement." [] subset: 3_STAR synonym: "acides gras indispensables" RELATED [ChEBI] synonym: "acidos grasos esenciales" RELATED [ChEBI] synonym: "EFA" RELATED [ChEBI] synonym: "EFAs" RELATED [ChEBI] synonym: "EFS" RELATED [ChEBI] synonym: "essential fatty acids" RELATED [ChEBI] synonym: "essentielle Fettsaeuren" RELATED [ChEBI] xref: PMID:1745654 {source="Europe PMC"} xref: PMID:19034351 {source="Europe PMC"} xref: PMID:7609665 {source="Europe PMC"} is_a: CHEBI:26208 ! polyunsaturated fatty acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:59554 name: medium-chain fatty acid namespace: chebi_ontology def: "Any fatty acid with a chain length of between C6 and C12." [] subset: 3_STAR synonym: "MCFA" RELATED [ChEBI] synonym: "MCFAs" RELATED [ChEBI] synonym: "medium-chain fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59558 ! medium-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:59558 name: medium-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid." [] subset: 3_STAR synonym: "a medium chain fatty acid" RELATED [UniProt] synonym: "MCFA anion" RELATED [ChEBI] synonym: "MCFA anions" RELATED [ChEBI] synonym: "medium-chain FA anion" RELATED [ChEBI] synonym: "medium-chain FA anions" RELATED [ChEBI] synonym: "medium-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59554 ! medium-chain fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:59561 name: diamino acid anion namespace: chebi_ontology def: "An organic anion that is the conjugate base of diamino acid." [] subset: 3_STAR synonym: "diamino acid anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:35987 ! diamino acid [Term] id: CHEBI:5959 name: irbesartan namespace: chebi_ontology def: "A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension." [] subset: 3_STAR synonym: "2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one" RELATED [IUPAC] synonym: "Avapro" RELATED BRAND_NAME [KEGG_DRUG] synonym: "BMS 186295" RELATED [ChemIDplus] synonym: "Irbesartan" EXACT [KEGG_COMPOUND] synonym: "irbesartan" RELATED INN [ChemIDplus] xref: Beilstein:6620400 {source="Beilstein"} xref: CAS:138402-11-6 {source="ChemIDplus"} xref: CAS:138402-11-6 {source="KEGG COMPOUND"} xref: Drug_Central:1481 {source="DrugCentral"} xref: DrugBank:DB01029 xref: KEGG:C07469 xref: KEGG:D00523 xref: LINCS:LSM-3338 xref: Patent:US5270317 xref: Patent:WO9114679 xref: PMID:15101793 {source="Europe PMC"} xref: PMID:15210574 {source="Europe PMC"} xref: PMID:15526904 {source="Europe PMC"} xref: Reaxys:6620400 {source="Reaxys"} xref: Wikipedia:Irbesartan is_a: CHEBI:35624 ! azaspiro compound is_a: CHEBI:48420 ! biphenylyltetrazole relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H28N6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YOSHYTLCDANDAN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "428.52966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "428.23246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1" xsd:string [Term] id: CHEBI:59607 name: quaternium-15 namespace: chebi_ontology def: "A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent." [] subset: 3_STAR synonym: "1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride" RELATED [ChemIDplus] synonym: "1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride" RELATED [ChemIDplus] synonym: "1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CTAC" RELATED [ChEBI] synonym: "Hexamethylenetetramine chloroallyl chloride" RELATED [ChemIDplus] synonym: "Methenamine 3-chloroallylochloride" RELATED [ChemIDplus] synonym: "N-(3-Chloroallyl)hexaminium chloride" RELATED [ChemIDplus] synonym: "quaternium 15" RELATED [ChEBI] xref: Beilstein:9300843 {source="Beilstein"} xref: CAS:4080-31-3 {source="ChemIDplus"} xref: PMID:15462465 {source="Europe PMC"} xref: PMID:20433443 {source="Europe PMC"} xref: PMID:20448270 {source="Europe PMC"} xref: PMID:21616561 {source="Europe PMC"} xref: PMID:22653068 {source="Europe PMC"} xref: PMID:26821003 {source="Europe PMC"} is_a: CHEBI:35273 ! quaternary ammonium salt is_a: CHEBI:36683 ! organochlorine compound relationship: has_functional_parent CHEBI:6824 ! hexamethylenetetramine relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:59174 ! hapten property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16Cl2N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKHVLWKBNNSRRR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "251.15600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "250.07520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2" xsd:string [Term] id: CHEBI:5962 name: irgarol 1051 namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6." [] subset: 3_STAR synonym: "Cybutryne" RELATED [ChemIDplus] synonym: "Irgarol 1051" RELATED BRAND_NAME [ChEBI] synonym: "N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:792218 {source="Beilstein"} xref: CAS:28159-98-0 {source="ChemIDplus"} xref: KEGG:C10927 xref: PMID:17136316 {source="Europe PMC"} xref: PMID:22789406 {source="Europe PMC"} xref: PMID:23722069 {source="Europe PMC"} xref: PPDB:2747 xref: Reaxys:792218 {source="Reaxys"} is_a: CHEBI:35683 ! aryl sulfide is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:51454 ! cyclopropanes relationship: has_functional_parent CHEBI:38071 ! 1,3,5-triazine-2,4-diamine relationship: has_parent_hydride CHEBI:30259 ! 1,3,5-triazine relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:51076 ! antifouling biocide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H19N5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HDHLIWCXDDZUFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "253.36826" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "253.13612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSc1nc(NC2CC2)nc(NC(C)(C)C)n1" xsd:string [Term] id: CHEBI:59640 name: N-acetylglucosamine namespace: chebi_ontology def: "An N-acylglucosamine where the N-acyl group is specified as acetyl." [] subset: 3_STAR synonym: "N-acetylglucosamines" RELATED [ChEBI] xref: PMID:18499511 {source="Europe PMC"} is_a: CHEBI:21638 ! N-acylglucosamine relationship: has_role CHEBI:78366 ! EC 2.7.1.1 (hexokinase) inhibitor [Term] id: CHEBI:59643 name: thia fatty acid namespace: chebi_ontology def: "Any fatty acid having at least one of the chain methylene groups replaced by sulfur. Members of this group are believed to have important pharmacological (antioxidant and antiatherosclerosis) properties." [] subset: 3_STAR synonym: "sulfur-containing fatty acid" RELATED [ChEBI] synonym: "sulfur-containing fatty acids" RELATED [ChEBI] synonym: "thia fatty acids" RELATED [ChEBI] xref: PMID:15825830 {source="Europe PMC"} xref: PMID:15949791 {source="Europe PMC"} xref: PMID:9030189 {source="Europe PMC"} is_a: CHEBI:33576 ! sulfur-containing carboxylic acid is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59848 ! thia fatty acid anion [Term] id: CHEBI:59644 name: oxo fatty acid namespace: chebi_ontology def: "Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group." [] subset: 3_STAR synonym: "oxo fatty acids" RELATED [ChEBI] xref: PMID:6434570 {source="Europe PMC"} xref: PMID:8454196 {source="Europe PMC"} xref: PMID:8638935 {source="Europe PMC"} is_a: CHEBI:25754 ! oxo carboxylic acid is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:59836 ! oxo fatty acid anion [Term] id: CHEBI:59659 name: pyrenes namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:51958 ! organic polycyclic compound [Term] id: CHEBI:59683 name: antipruritic drug namespace: chebi_ontology def: "A drug, usually applied topically, that relieves pruritus (itching)." [] subset: 3_STAR synonym: "anti-itching drug" RELATED [ChEBI] synonym: "anti-itching drugs" RELATED [ChEBI] synonym: "antipruritic agent" RELATED [ChEBI] synonym: "antipruritic agents" RELATED [ChEBI] synonym: "antipruritic drugs" RELATED [ChEBI] is_a: CHEBI:50177 ! dermatologic drug [Term] id: CHEBI:59698 name: phosphoric acids namespace: chebi_ontology def: "Compounds containing one or more phosphoric acid units." [] subset: 3_STAR is_a: CHEBI:33457 ! phosphorus oxoacid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:59720 name: HPETE anion namespace: chebi_ontology def: "An anion arising from deprotonation of the carboxylic acid function of any mono-hydroperoxy (e)icosatetraenoic acid (HPETE)" [] subset: 3_STAR synonym: "a hydroperoxyeicosatetraenoate" RELATED [UniProt] synonym: "HPETE anions" RELATED [ChEBI] synonym: "hydroperoxyeicosatetraenoate" RELATED [ChEBI] synonym: "hydroperoxyeicosatetraenoates" RELATED [ChEBI] is_a: CHEBI:134019 ! hydroperoxy polyunsaturated fatty acid anion is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:62937 ! icosanoid anion relationship: is_conjugate_base_of CHEBI:24644 ! HPETE property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H31O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "335.45830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "335.22223" xsd:string [Term] id: CHEBI:59724 name: ribonucleoside triphosphate oxoanion namespace: chebi_ontology def: "An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a nucleoside triphosphate." [] subset: 3_STAR synonym: "ribonucleoside triphosphate anion" RELATED [ChEBI] synonym: "ribonucleoside triphosphate anions" RELATED [ChEBI] synonym: "ribonucleoside triphosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion [Term] id: CHEBI:59731 name: amidotrizoic acid anion namespace: chebi_ontology def: "The anion obtained by removal of the proton from the carboxylic acid group of amidotrizoic acid." [] subset: 3_STAR synonym: "2,4,6-triiodo-3,5-diacetamidobenzoate" RELATED [ChEBI] synonym: "2,4,6-triiodo-3,5-diacetamidobenzoic acid anion" RELATED [ChEBI] synonym: "2,4,6-triiodo-3,5-diacetamidobenzoic acid(1-)" RELATED [ChEBI] synonym: "3,5-bis(acetylamino)-2,4,6-triiodobenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid anion" RELATED [ChEBI] synonym: "3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid(1-)" RELATED [ChEBI] synonym: "amidotrizoate" RELATED [ChEBI] synonym: "amidotrizoic acid(1-)" RELATED [ChEBI] xref: Beilstein:4005652 {source="Beilstein"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_role CHEBI:48425 ! topical anaesthetic relationship: is_conjugate_base_of CHEBI:53691 ! amidotrizoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H8I3N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVPYQUNUQOZFHG-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "612.90560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "612.76237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I" xsd:string [Term] id: CHEBI:59739 name: electrophilic reagent is_a: CHEBI:33893 ! reagent is_a: CHEBI:39143 ! Lewis acid [Term] id: CHEBI:59740 name: nucleophilic reagent namespace: chebi_ontology def: "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons." [] subset: 3_STAR synonym: "nucleophile" RELATED [ChEBI] synonym: "nucleophiles" RELATED [ChEBI] synonym: "nucleophilic reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent is_a: CHEBI:39144 ! Lewis base [Term] id: CHEBI:59745 name: chromatographic reagent namespace: chebi_ontology def: "A reagent used to improve selectivity in chromatographic analyses or separations, e.g. by formation of a derivative or by modification of the mobile phase." [] subset: 3_STAR synonym: "derivatising reagents" RELATED [ChEBI] synonym: "derivatizing reagent" RELATED [ChEBI] synonym: "derivatizing reagents" RELATED [ChEBI] is_a: CHEBI:33893 ! reagent [Term] id: CHEBI:59768 name: aliphatic aldehyde namespace: chebi_ontology def: "An aldehyde derived from an aliphatic compound" [] subset: 3_STAR synonym: "aliphatic aldehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde [Term] id: CHEBI:59769 name: acetal namespace: chebi_ontology def: "An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ." [] subset: 3_STAR synonym: "acetals" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound [Term] id: CHEBI:59770 name: cyclic acetal namespace: chebi_ontology def: "An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring." [] subset: 3_STAR synonym: "cyclic acetals" RELATED [ChEBI] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:59769 ! acetal [Term] id: CHEBI:59772 name: hemiketal namespace: chebi_ontology def: "A hemiacetal having the structure RR(1)C(OH)OR(2) (R, R(1), R(2) =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group." [] subset: 3_STAR synonym: "hemiketals" RELATED [ChEBI] is_a: CHEBI:5653 ! hemiacetal property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(*)(O)(O*)*" xsd:string [Term] id: CHEBI:59777 name: ketal namespace: chebi_ontology def: "An acetal of formula R2C(OR)2 (R =/= H) derived from a ketone by replacement of the oxo group by two hydrocarbyloxy groups. The class name 'ketals', once abandoned by IUPAC, has been reinstated as a subclass of acetals." [] subset: 3_STAR synonym: "ketals" RELATED [ChEBI] is_a: CHEBI:59769 ! acetal [Term] id: CHEBI:59779 name: cyclic ketal namespace: chebi_ontology def: "A ketal in the molecule of which the ketal carbon and one or both oxygen atoms thereon are members of a ring." [] subset: 3_STAR synonym: "cyclic ketals" RELATED [ChEBI] is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:59777 ! ketal [Term] id: CHEBI:59780 name: cyclic hemiketal namespace: chebi_ontology def: "A hemiacetal having the structure R2C(OH)OR (R =/= H), derived from a ketone by formal addition of an alcohol to the carbonyl group. The term 'cyclic hemiketals', once abandoned by IUPAC, has been reinstated as a subclass of hemiacetals." [] subset: 3_STAR synonym: "cyclic hemiketals" RELATED [ChEBI] is_a: CHEBI:38131 ! lactol is_a: CHEBI:59772 ! hemiketal [Term] id: CHEBI:59792 name: thioacetal namespace: chebi_ontology def: "The sulfur analogue of 'acetal'. The term includes monothioacetals having the structure R2C(OR')(SR') (subclass monothioketals, R =/= H); and dithioacetals having the structure R2C(SR')2 (subclass dithioketals, R =/= H, R' =/= H)." [] subset: 3_STAR synonym: "thioacetals" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:59793 name: monothioacetal namespace: chebi_ontology def: "A thioacetal having the structure R2C(OR')(SR'). The term includes monothioketals, R =/= H, as a subclass." [] subset: 3_STAR synonym: "monothioacetals" RELATED [ChEBI] synonym: "thioacetal" RELATED [ChEBI] is_a: CHEBI:59792 ! thioacetal property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "COSR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.07500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.96699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OC([*])([*])S[*]" xsd:string [Term] id: CHEBI:59794 name: dithioacetal namespace: chebi_ontology def: "A thioacetal having the structure R2C(SR')2. The term includes dithioketals (R =/= H, R' =/= H) as a subclass." [] subset: 3_STAR synonym: "dithioacetals" RELATED [ChEBI] is_a: CHEBI:59792 ! thioacetal property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CS2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.14100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.94414" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]SC([*])([*])S[*]" xsd:string [Term] id: CHEBI:59800 name: dithioketal namespace: chebi_ontology def: "A dithioacetal of formula R2C(SR')2, R =/= H, R' =/= H." [] subset: 3_STAR synonym: "dithioketals" RELATED [ChEBI] is_a: CHEBI:59794 ! dithioacetal [Term] id: CHEBI:59806 name: (S)-nicotinium(1+) namespace: chebi_ontology def: "The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-nicotine" RELATED [UniProt] synonym: "(S)-nicotinium cation" RELATED [ChEBI] xref: Gmelin:329042 "Gmelin" xref: Gmelin:329042 {source="Gmelin"} xref: MetaCyc:NICOTINE is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:17688 ! (S)-nicotine relationship: is_enantiomer_of CHEBI:79008 ! (R)-nicotinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNICXCGAKADSCV-JTQLQIEISA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.23900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.12297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+]1CCC[C@H]1c1cccnc1" xsd:string [Term] id: CHEBI:59809 name: docetaxel trihydrate namespace: chebi_ontology def: "The trihydrate form of docetaxel. It is used for the treatment of breast, ovarian, and non-small cell lung cancer, and with prednisone or prednisolone in hormone-refractory metastatic prostate cancer." [] subset: 3_STAR synonym: "4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate--water (1/3)" EXACT IUPAC_NAME [IUPAC] synonym: "docetaxel" RELATED INN [ChemIDplus] synonym: "N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel trihydrate" RELATED [ChEBI] synonym: "N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol trihydrate" RELATED [ChEBI] xref: Beilstein:10054412 {source="Beilstein"} xref: CAS:148408-66-6 {source="KEGG DRUG"} xref: CAS:148408-66-6 {source="ChemIDplus"} xref: DrugBank:DB01248 xref: KEGG:D02165 xref: Patent:EP253738 xref: Patent:US4814470 is_a: CHEBI:2468 ! secondary alpha-hydroxy ketone is_a: CHEBI:35505 ! hydrate relationship: has_part CHEBI:4672 ! docetaxel anhydrous relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C43H59NO17" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XCDIRYDKECHIPE-QHEQPUDQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "861.92510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "861.37830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O.O.O.[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1" xsd:string [Term] id: CHEBI:59814 name: L-alpha-amino acid anion namespace: chebi_ontology def: "Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "L-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:15705 ! L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:59826 name: progestin namespace: chebi_ontology def: "A synthetic progestogen." [] subset: 3_STAR synonym: "progestins" RELATED [ChEBI] xref: Wikipedia:Progestin is_a: CHEBI:50745 ! progestogen [Term] id: CHEBI:59835 name: hydroxy fatty acid anion namespace: chebi_ontology def: "The conjugate base of any hydroxy fatty acid, formed by deprotonation of the carboxylic acid moiety." [] subset: 3_STAR synonym: "hydroxy fatty acid anions" RELATED [ChEBI] synonym: "OH-FA anion" RELATED [ChEBI] synonym: "OH-FA-anions" RELATED [ChEBI] synonym: "OH-fatty acid anion" RELATED [ChEBI] synonym: "OH-fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:24654 ! hydroxy fatty acid [Term] id: CHEBI:59836 name: oxo fatty acid anion namespace: chebi_ontology def: "A fatty acid anion carrying one or more oxo substituents" [] subset: 3_STAR synonym: "oxo fatty acid anions" RELATED [ChEBI] synonym: "oxo-FA anion" RELATED [ChEBI] synonym: "oxo-FA anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion is_a: CHEBI:35903 ! oxo carboxylic acid anion relationship: is_conjugate_base_of CHEBI:59644 ! oxo fatty acid [Term] id: CHEBI:59848 name: thia fatty acid anion namespace: chebi_ontology def: "The conjugate base of any thia fatty acid, formed by deprotonation of the carboxylic acid moiety." [] subset: 3_STAR synonym: "thia fatty acid anions" RELATED [ChEBI] synonym: "thia-FA anion" RELATED [ChEBI] synonym: "thia-FA anions" RELATED [ChEBI] synonym: "thia-fatty acid anion" RELATED [ChEBI] synonym: "thia-fatty acid anions" RELATED [ChEBI] xref: PMID:9030189 {source="Europe PMC"} is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:59643 ! thia fatty acid [Term] id: CHEBI:59851 name: benzyl halide namespace: chebi_ontology def: "Any compound containing a (halomethyl)benzene skeleton." [] subset: 3_STAR synonym: "benzyl halides" RELATED [ChEBI] is_a: CHEBI:17792 ! organohalogen compound [Term] id: CHEBI:59852 name: benzyl chlorides namespace: chebi_ontology def: "Any benzyl halide containing a (chloromethyl)benzene skeleton." [] subset: 3_STAR synonym: "benzylic chloride" RELATED [ChEBI] synonym: "benzylic chlorides" RELATED [ChEBI] is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:59851 ! benzyl halide [Term] id: CHEBI:59869 name: L-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "an L-alpha-amino acid" RELATED [UniProt] synonym: "L-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:78608 ! alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:15705 ! L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59871 name: D-alpha-amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "a D-alpha-amino acid" RELATED [UniProt] synonym: "D-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16733 ! D-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59874 name: N-acyl-L-alpha-amino acid anion namespace: chebi_ontology def: "A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "an N-acyl-L-amino acid" RELATED [UniProt] synonym: "N-acyl-L-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:48927 ! N-acyl-L-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59876 name: N-acyl-D-alpha-amino acid anion namespace: chebi_ontology def: "The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group." [] subset: 3_STAR synonym: "an N-acyl-D-amino acid" RELATED [UniProt] synonym: "N-acyl-D-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:15778 ! N-acyl-D-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59888 name: gamma-aminobutyric acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group." [] subset: 3_STAR synonym: "4-aminobutanoate" RELATED [UniProt] synonym: "4-ammoniobutanoate" RELATED [ChEBI] synonym: "4-azaniumylbutanoate" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:1041559 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16865 ! gamma-aminobutyric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTCSSZJGUNDROE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "103.11980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCCC([O-])=O" xsd:string [Term] id: CHEBI:59897 name: EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor namespace: chebi_ontology def: "A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce." [] subset: 3_STAR synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitor" RELATED [ChEBI] synonym: "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitors" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (RNA-directed) inhibitor" RELATED [ChEBI] synonym: "DNA nucleotidyltransferase (RNA-directed) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.7.49 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.7.49 inhibitors" RELATED [ChEBI] synonym: "reverse transcriptase inhibitor" RELATED [ChEBI] synonym: "reverse transcriptase inhibitors" RELATED [ChEBI] synonym: "revertase inhibitor" RELATED [ChEBI] synonym: "revertase inhibitors" RELATED [ChEBI] synonym: "RNA revertase inhibitor" RELATED [ChEBI] synonym: "RNA revertase inhibitors" RELATED [ChEBI] synonym: "RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitors" RELATED [ChEBI] synonym: "RNA-dependent DNA polymerase inhibitor" RELATED [ChEBI] synonym: "RNA-dependent DNA polymerase inhibitors" RELATED [ChEBI] synonym: "RNA-directed DNA polymerase (EC 2.7.7.49) inhibitor" RELATED [ChEBI] synonym: "RNA-directed DNA polymerase (EC 2.7.7.49) inhibitors" RELATED [ChEBI] synonym: "RNA-directed DNA polymerase inhibitor" RELATED [ChEBI] synonym: "RNA-directed DNA polymerase inhibitors" RELATED [ChEBI] synonym: "RNA-instructed DNA polymerase inhibitor" RELATED [ChEBI] synonym: "RNA-instructed DNA polymerase inhibitors" RELATED [ChEBI] synonym: "RT inhibitor" RELATED [ChEBI] synonym: "RT inhibitors" RELATED [ChEBI] synonym: "telomerase inhibitor" RELATED [ChEBI] synonym: "telomerase inhibitors" RELATED [ChEBI] xref: Wikipedia:Reverse-transcriptase_inhibitor is_a: CHEBI:22587 ! antiviral agent is_a: CHEBI:38234 ! DNA polymerase inhibitor [Term] id: CHEBI:59905 name: dopaminium(1+) namespace: chebi_ontology def: "An ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)ethan-1-aminium" RELATED [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)ethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "dopamine" RELATED [UniProt] synonym: "dopaminium cation" RELATED [ChEBI] xref: Gmelin:328863 {source="Gmelin"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:18243 ! dopamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYFYYTLLBUKUHU-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.18640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.08626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]CCc1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:59997 name: EC 1.14.18.1 (tyrosinase) inhibitor namespace: chebi_ontology def: "Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals." [] subset: 3_STAR synonym: "cresolase inhibitor" RELATED [ChEBI] synonym: "cresolase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.18.1 (tyrosinase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.18.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.18.1 inhibitors" RELATED [ChEBI] synonym: "L-tyrosine,L-dopa:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-tyrosine,L-dopa:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "monophenol dihydroxyphenylalanine:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "monophenol monooxidase inhibitor" RELATED [ChEBI] synonym: "monophenol monooxidase inhibitors" RELATED [ChEBI] synonym: "monophenol monooxygenase inhibitor" RELATED [ChEBI] synonym: "monophenol monooxygenase inhibitors" RELATED [ChEBI] synonym: "monophenol oxidase inhibitor" RELATED [ChEBI] synonym: "monophenol oxidase inhibitors" RELATED [ChEBI] synonym: "monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "monophenol, dihydroxy-L-phenylalanine oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "monophenolase inhibitor" RELATED [ChEBI] synonym: "monophenolase inhibitors" RELATED [ChEBI] synonym: "NN-acetyl-6-hydroxytryptophan oxidase inhibitor" RELATED [ChEBI] synonym: "NN-acetyl-6-hydroxytryptophan oxidase inhibitors" RELATED [ChEBI] synonym: "O-diphenol:O2 oxidoreductase inhibitor" RELATED [ChEBI] synonym: "O-diphenol:O2 oxidoreductase inhibitors" RELATED [ChEBI] synonym: "phenol oxidase inhibitor" RELATED [ChEBI] synonym: "phenol oxidase inhibitors" RELATED [ChEBI] synonym: "phenolase inhibitor" RELATED [ChEBI] synonym: "phenolase inhibitors" RELATED [ChEBI] synonym: "tyrosinase (EC 1.14.18.1) inhibitor" RELATED [ChEBI] synonym: "tyrosinase (EC 1.14.18.1) inhibitors" RELATED [ChEBI] synonym: "tyrosinase inhibitor" RELATED [ChEBI] synonym: "tyrosinase inhibitors" RELATED [ChEBI] synonym: "tyrosine-dopa oxidase inhibitor" RELATED [ChEBI] synonym: "tyrosine-dopa oxidase inhibitors" RELATED [ChEBI] is_a: CHEBI:76845 ! EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor [Term] id: CHEBI:59999 name: chemical substance namespace: chebi_ontology def: "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." [] subset: 3_STAR synonym: "Chemische Substanz" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60004 name: mixture namespace: chebi_ontology def: "A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind." [] subset: 3_STAR synonym: "Mischung" RELATED [ChEBI] is_a: CHEBI:59999 ! chemical substance property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60027 name: polymer namespace: chebi_ontology def: "A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.." [] subset: 3_STAR synonym: "Kunststoff" RELATED [ChEBI] synonym: "Polymer" EXACT [ChEBI] xref: Wikipedia:Polymer is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:33839 ! macromolecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60029 name: homopolymer namespace: chebi_ontology def: "A homopolymer is a polymer composed of macromolecules, all of which are derived from one species of monomer." [] subset: 3_STAR synonym: "Homopolymer" EXACT [ChEBI] is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:37997 ! homopolymer macromolecule [Term] id: CHEBI:60031 name: poly(alkylene) polymer is_a: CHEBI:60029 ! homopolymer [Term] id: CHEBI:60034 name: polyethylene polymer subset: envoPlastics is_a: CHEBI:60031 ! poly(alkylene) polymer [Term] id: CHEBI:60039 name: L-proline zwitterion namespace: chebi_ontology alt_id: CHEBI:58054 def: "The zwitterion formed from L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH." [] subset: 3_STAR synonym: "(2S)-pyrrolidinium-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "L-proline" RELATED [UniProt] xref: MetaCyc:PRO is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:17203 ! L-proline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]1CCC[NH2+]1" xsd:string [Term] id: CHEBI:600520 name: micafungin namespace: chebi_ontology alt_id: CHEBI:473847 alt_id: CHEBI:530001 alt_id: CHEBI:533643 alt_id: CHEBI:533785 def: "A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy." [] subset: 3_STAR synonym: "5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzoyl)-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}" EXACT IUPAC_NAME [IUPAC] synonym: "micafungin" RELATED INN [ChemIDplus] synonym: "micafungin" RELATED INN [KEGG_DRUG] synonym: "Mycamine" RELATED [ChemIDplus] xref: Beilstein:9610508 {source="Beilstein"} xref: CAS:235114-32-6 {source="KEGG DRUG"} xref: CAS:235114-32-6 {source="ChemIDplus"} xref: DrugBank:DB01141 xref: KEGG:D08218 xref: PMID:17194830 {source="ChEMBL"} xref: PMID:17307974 {source="ChEMBL"} xref: PMID:17325217 {source="ChEMBL"} xref: PMID:17325225 {source="ChEMBL"} xref: PMID:17420211 {source="ChEMBL"} xref: PMID:17785512 {source="ChEMBL"} is_a: CHEBI:57248 ! echinocandin is_a: CHEBI:87113 ! antibiotic antifungal drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C56H71N9O23S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PIEUQSKUWLMALL-YABMTYFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1270.27400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1269.43835" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O" xsd:string [Term] id: CHEBI:60056 name: cocaine(1+) namespace: chebi_ontology def: "The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane" EXACT IUPAC_NAME [IUPAC] synonym: "cocaine" RELATED [UniProt] synonym: "cocaine cation" RELATED [ChEBI] xref: Gmelin:2542129 "Gmelin" xref: Gmelin:2542129 {source="Gmelin"} xref: Gmelin:341636 "Gmelin" xref: Gmelin:341636 {source="Gmelin"} is_a: CHEBI:35274 ! ammonium ion derivative is_a: CHEBI:37332 ! tropane alkaloid relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_acid_of CHEBI:27958 ! cocaine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H22NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZPUCINDJVBIVPJ-LJISPDSOSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.36090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.15433" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C" xsd:string [Term] id: CHEBI:6015 name: isoflurane namespace: chebi_ontology subset: 3_STAR synonym: "1-chloro-2,2,2-trifluoroethyl difluoromethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane" EXACT IUPAC_NAME [IUPAC] synonym: "Aerrane" RELATED BRAND_NAME [DrugBank] synonym: "Ethane" RELATED BRAND_NAME [DrugBank] synonym: "Forane" RELATED BRAND_NAME [DrugBank] synonym: "Forene" RELATED BRAND_NAME [DrugBank] synonym: "Isoflurane" EXACT [KEGG_COMPOUND] synonym: "isoflurane" RELATED INN [ChemIDplus] synonym: "isoflurano" RELATED INN [ChemIDplus] synonym: "isofluranum" RELATED INN [ChemIDplus] xref: CAS:26675-46-7 {source="KEGG COMPOUND"} xref: CAS:26675-46-7 {source="ChemIDplus"} xref: CAS:26675-46-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:1493 {source="DrugCentral"} xref: DrugBank:DB00753 xref: KEGG:C07518 xref: KEGG:D00545 xref: VSDB:1804 xref: Wikipedia:Isoflurane is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:39832 ! methoxyethane relationship: has_role CHEBI:38870 ! inhalation anaesthetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2ClF5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PIWKPBJCKXDKJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.49210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.97143" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)OC(Cl)C(F)(F)F" xsd:string [Term] id: CHEBI:60186 name: EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor namespace: chebi_ontology def: "An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of Ca(2+)-transporting ATPase (EC 3.6.3.8)." [] subset: 3_STAR synonym: "ATP phosphohydrolase (Ca(2+)-transporting) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (Ca(2+)-transporting) inhibitors" RELATED [ChEBI] synonym: "Ca(2+)-pumping ATPase inhibitor" RELATED [ChEBI] synonym: "Ca(2+)-pumping ATPase inhibitors" RELATED [ChEBI] synonym: "Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitor" RELATED [ChEBI] synonym: "Ca(2+)-transporting ATPase (EC 3.6.3.8) inhibitors" RELATED [ChEBI] synonym: "Ca(2+)-transporting ATPase inhibitor" RELATED [ChEBI] synonym: "Ca(2+)-transporting ATPase inhibitors" RELATED [ChEBI] synonym: "calcium pump inhibitor" RELATED [ChEBI] synonym: "calcium pump inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitors" RELATED [ChEBI] synonym: "plasma membrane Ca-ATPase inhibitor" RELATED [ChEBI] synonym: "plasma membrane Ca-ATPase inhibitors" RELATED [ChEBI] synonym: "sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitor" RELATED [ChEBI] synonym: "sarco(endo)plasmic reticulum Ca(2+)-ATPase inhibitors" RELATED [ChEBI] synonym: "sarcoplasmic reticulum ATPase inhibitor" RELATED [ChEBI] synonym: "sarcoplasmic reticulum ATPase inhibitors" RELATED [ChEBI] synonym: "SERCA inhibitor" RELATED [ChEBI] synonym: "SERCA inhibitors" RELATED [ChEBI] xref: Wikipedia:Ca(2%2B)-transporting_atpase is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor [Term] id: CHEBI:60240 name: divalent metal cation namespace: chebi_ontology def: "A metal cation with a valence of two." [] subset: 3_STAR synonym: "a divalent metal cation" RELATED [UniProt] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:64641 ! divalent inorganic cation [Term] id: CHEBI:60242 name: monovalent inorganic cation namespace: chebi_ontology def: "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one." [] subset: 3_STAR synonym: "a monovalent cation" RELATED [UniProt] is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:60247 name: silver ion namespace: chebi_ontology def: "A silver atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:33966 ! elemental silver is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:60248 name: nickel ion namespace: chebi_ontology def: "A nickel atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:60249 name: lead ion namespace: chebi_ontology def: "A lead atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:37193 ! elemental lead [Term] id: CHEBI:60250 name: selenium ion namespace: chebi_ontology def: "A selenium atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36904 ! elemental selenium is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:60251 name: guanidinium ion namespace: chebi_ontology def: "R = C or H. The iminium ion resulting from the protonation of one of the imine nitrogens of guanidine or its derivatives." [] subset: 3_STAR synonym: "diaminomethaniminium ion" RELATED [ChEBI] synonym: "diaminomethaniminium ions" RELATED [ChEBI] synonym: "guanidinium ions" RELATED [ChEBI] is_a: CHEBI:35286 ! iminium ion property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHN3R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.01705" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=[N+]([H])*)(N(*)*)N(*)*" xsd:string [Term] id: CHEBI:60252 name: lead cation namespace: chebi_ontology def: "A lead atom having a positive net electric charge." [] subset: 3_STAR is_a: CHEBI:25213 ! metal cation is_a: CHEBI:60249 ! lead ion [Term] id: CHEBI:60253 name: silver cation namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:60247 ! silver ion [Term] id: CHEBI:60258 name: EC 3.4.* (hydrolases acting on peptide bond) inhibitor namespace: chebi_ontology alt_id: CHEBI:76763 def: "A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*)." [] subset: 3_STAR synonym: "EC 3.4.* (hydrolase acting on peptide bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolase acting on peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (hydrolases acting on peptide bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* (peptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "inhibitors of hydrolases acting on peptide bond (EC 3.4.*)" RELATED [ChEBI] synonym: "peptidase inhibitors" RELATED [ChEBI] synonym: "protease inhibitor" RELATED [ChEBI] synonym: "protease inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:60271 name: tellurium ion namespace: chebi_ontology def: "A tellurium atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36660 ! elemental tellurium is_a: CHEBI:36914 ! inorganic ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Te" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "127.603" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.90622" xsd:string [Term] id: CHEBI:60272 name: aluminium ion namespace: chebi_ontology def: "An aluminium atom having a net electric charge." [] subset: 3_STAR synonym: "aluminum ion" RELATED [ChEBI] is_a: CHEBI:33628 ! elemental aluminium is_a: CHEBI:36914 ! inorganic ion [Term] id: CHEBI:60302 name: L-thyroxine(1-) namespace: chebi_ontology def: "The alpha-amino-acid anion resulting from the removal of the proton from the carboxylic acid group of L-thyroxine." [] subset: 3_STAR synonym: "(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propionate" RELATED [ChEBI] synonym: "L-thyroxine anion" RELATED [ChEBI] synonym: "levothyroxine anion" RELATED [ChEBI] synonym: "levothyroxine(1-)" RELATED [ChEBI] xref: PMID:17634708 {source="Europe PMC"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:18332 ! L-thyroxine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10I4NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/p-1/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIIKFGFIJCVMT-LBPRGKRZSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "775.86210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "775.67941" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O" xsd:string [Term] id: CHEBI:60311 name: thyroid hormone namespace: chebi_ontology def: "Any hormone produced by the thyroid gland" [] subset: 3_STAR synonym: "thyroid hormones" RELATED [ChEBI] is_a: CHEBI:24621 ! hormone [Term] id: CHEBI:60330 name: 2-methyl-2-(methylsulfanyl)propanal oxime namespace: chebi_ontology def: "The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb." [] subset: 3_STAR synonym: "2-(methylthio)-2-methylpropionaldehyde oxime" RELATED [ChemIDplus] synonym: "2-(methylthio)isobutyraldehyde oxime" RELATED [ChemIDplus] synonym: "2-methyl-2-(methylsulfanyl)propanal oxime" EXACT [UniProt] synonym: "2-methyl-2-(methylsulfanyl)propanaldoxime" RELATED [ChEBI] synonym: "2-methyl-2-(methylthio)propanal oxime" RELATED [ChemIDplus] synonym: "2-methyl-2-(methylthio)propionaldehyde oxime" RELATED [ChemIDplus] synonym: "2-methyl-2-(methylthio)propionaldoxime" RELATED [ChemIDplus] synonym: "ADO" RELATED [ChEBI] synonym: "aldicarb oxime" RELATED [ChemIDplus] synonym: "N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine" EXACT IUPAC_NAME [IUPAC] synonym: "Temik oxime" RELATED [ChemIDplus] xref: Beilstein:2038299 {source="Beilstein"} xref: CAS:1646-75-9 {source="ChemIDplus"} xref: Patent:US3217037 xref: Reaxys:2038299 {source="Reaxys"} is_a: CHEBI:82744 ! aliphatic aldoxime is_a: CHEBI:86315 ! methyl sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFGMCJAXIZTVJA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.21200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.05614" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=NO)C(C)(C)SC" xsd:string [Term] id: CHEBI:60334 name: peptide anion namespace: chebi_ontology def: "An anion formed by deprotonation of at least one peptide carboxy group." [] subset: 3_STAR synonym: "peptide anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion [Term] id: CHEBI:60466 name: peptide zwitterion namespace: chebi_ontology def: "Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged." [] subset: 3_STAR synonym: "a peptide" RELATED [UniProt] synonym: "peptide zwitterions" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:16670 ! peptide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R(C2H2NOR)n" xsd:string [Term] id: CHEBI:6047 name: isoprothiolane namespace: chebi_ontology def: "A malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. An insecticide and fungicide used to control a range of diseases including Pyricularia oryzae, Helminthosporium sigmoideum and Fusarium nivale." [] subset: 3_STAR synonym: "bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate" RELATED [ChemIDplus] synonym: "di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate" EXACT IUPAC_NAME [IUPAC] synonym: "di-isopropyl 1,3-dithiolane-2-ylidenemalonate" RELATED [NIST_Chemistry_WebBook] synonym: "diisopropyl 1,3-dithiolan-2-ylidenemalonate" RELATED [IUPAC] synonym: "diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate" RELATED [NIST_Chemistry_WebBook] synonym: "Isoprothiolane" EXACT [KEGG_COMPOUND] xref: Beilstein:2128528 {source="ChemIDplus"} xref: CAS:50512-35-1 {source="ChemIDplus"} xref: CAS:50512-35-1 {source="NIST Chemistry WebBook"} xref: CAS:50512-35-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031779 xref: KEGG:C11111 xref: Pesticides:isoprothiolane {source="Alan Wood's Pesticides"} xref: PMID:19757109 {source="Europe PMC"} xref: PMID:23500396 {source="Europe PMC"} xref: PMID:23537300 {source="Europe PMC"} xref: PMID:24617140 {source="Europe PMC"} xref: PMID:2927019 {source="Europe PMC"} xref: PPDB:408 xref: Reaxys:2128528 {source="Reaxys"} is_a: CHEBI:35725 ! isopropyl ester is_a: CHEBI:38083 ! malonate ester is_a: CHEBI:39192 ! dithiolanes relationship: has_parent_hydride CHEBI:38079 ! 1,3-dithiolane relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:83741 ! phospholipid biosynthesis inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18O4S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHLMYOGRXOCSL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.40092" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.06465" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1" xsd:string [Term] id: CHEBI:6049 name: isoproturon namespace: chebi_ontology def: "A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties." [] subset: 3_STAR synonym: "1,1-dimethyl-3-(p-isopropylphenyl)-urea" RELATED [NIST_Chemistry_WebBook] synonym: "1,1-dimethyl-3-[4-(propan-2-yl)phenyl]urea" EXACT IUPAC_NAME [IUPAC] synonym: "3-p-cumenyl-1,1-dimethylurea" RELATED [Alan_Wood's_Pesticides] synonym: "isoproturon" EXACT [UniProt] synonym: "N-4-isopropylphenyl-N,N-dimethylurea" RELATED [NIST_Chemistry_WebBook] xref: CAS:34123-59-6 {source="ChemIDplus"} xref: CAS:34123-59-6 {source="NIST Chemistry WebBook"} xref: CAS:34123-59-6 {source="KEGG COMPOUND"} xref: KEGG:C11005 xref: MetaCyc:CPD-23253 xref: Pesticides:isoproturon {source="Alan Wood's Pesticides"} xref: PMCID:PMC5010538 {source="Europe PMC"} xref: PMID:22231370 {source="Europe PMC"} xref: PMID:23131497 {source="Europe PMC"} xref: PMID:24059976 {source="Europe PMC"} xref: PMID:24873700 {source="Europe PMC"} xref: PMID:24974118 {source="Europe PMC"} xref: PMID:25128892 {source="Europe PMC"} xref: PMID:25464323 {source="Europe PMC"} xref: PMID:26366929 {source="Europe PMC"} xref: PMID:27317932 {source="Europe PMC"} xref: PMID:27499219 {source="Europe PMC"} xref: PMID:27737542 {source="Europe PMC"} xref: PMID:27817898 {source="Europe PMC"} xref: PPDB:409 xref: Reaxys:2214033 {source="Reaxys"} is_a: CHEBI:157693 ! 3-(3,4-substituted-phenyl)-1,1-dimethylurea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUIYMUZLKQOUOZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.28410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "206.14191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1ccc(NC(=O)N(C)C)cc1" xsd:string [Term] id: CHEBI:60505 name: poly(chloroprene) polymer namespace: chebi_ontology def: "A homopolymer composed of poly(chloroprene) macromolecules." [] subset: 3_STAR synonym: "1,4-cis-Poly(chloropene)" RELATED [ChEBI] synonym: "2-Chloro-1,3-butadiene polymer" RELATED [ChEBI] synonym: "neoprene" RELATED [ChEBI] synonym: "Poly(2-chloro-1,3-butadiene)" RELATED [ChEBI] synonym: "Poly(2-chlorobutadiene)" RELATED [ChEBI] synonym: "poly(chloroprene)" RELATED [ChEBI] synonym: "polychloroprene" RELATED [ChEBI] synonym: "trans-1,4-Polychloroprene" RELATED [ChEBI] is_a: CHEBI:60029 ! homopolymer relationship: has_part CHEBI:53724 ! poly(chloroprene) macromolecule [Term] id: CHEBI:60521 name: indole alkaloid cation namespace: chebi_ontology def: "Any cation arising from protonation of at least one of the amino functions in an indole alkaloid." [] subset: 3_STAR synonym: "indole alkaloid cations" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative [Term] id: CHEBI:60531 name: flavin(1-) namespace: chebi_ontology def: "Flavin protonated to pH 7.3" [] subset: 3_STAR synonym: "an oxidized flavin" RELATED [UniProt] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:30527 ! flavin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8N4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.21750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.06473" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2nc3c(nc(=O)[n-]c3=O)n([*])c2cc1C" xsd:string [Term] id: CHEBI:6054 name: Isosafrole namespace: chebi_ontology subset: 2_STAR synonym: "Isosafrole" EXACT [KEGG_COMPOUND] xref: CAS:120-58-1 {source="KEGG COMPOUND"} xref: KEGG:C10472 xref: KNApSAcK:C00002753 is_a: CHEBI:38298 ! benzodioxoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHVOLFRBFDOUSH-NSCUHMNNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C=C\\c1ccc2OCOc2c1" xsd:string [Term] id: CHEBI:60575 name: phenoxy herbicide namespace: chebi_ontology def: "Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group." [] subset: 3_STAR synonym: "phenoxy herbicides" RELATED [ChEBI] xref: Wikipedia:Phenoxy_herbicide is_a: CHEBI:24527 ! herbicide [Term] id: CHEBI:60598 name: opioid agent namespace: chebi_ontology def: "Any agent that acts on an opioid receptor or affects the life cycle of an opioid transmitter." [] subset: 3_STAR synonym: "opioid agents" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent [Term] id: CHEBI:60599 name: mu-opioid agent namespace: chebi_ontology def: "Any agent that acts on a mu-opioid receptor." [] subset: 3_STAR synonym: "mu-opioid agents" RELATED [ChEBI] is_a: CHEBI:60598 ! opioid agent [Term] id: CHEBI:60600 name: amide fungicide namespace: chebi_ontology def: "Compounds that contain an amide group as a key feature of their structure and which have been used as fungicides." [] subset: 3_STAR synonym: "amide fungicides" RELATED [ChEBI] is_a: CHEBI:87012 ! amide antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:60601 name: delta-opioid agent namespace: chebi_ontology def: "Any agent that acts on a delta-opioid receptor." [] subset: 3_STAR synonym: "delta-opioid agents" RELATED [ChEBI] is_a: CHEBI:60598 ! opioid agent [Term] id: CHEBI:60603 name: kappa-opioid agent namespace: chebi_ontology def: "Any agent that acts on a kappa-opioid receptor." [] subset: 3_STAR synonym: "kappa-opioid agents" RELATED [ChEBI] is_a: CHEBI:60598 ! opioid agent [Term] id: CHEBI:60605 name: opioid receptor antagonist namespace: chebi_ontology def: "An agent that binds to but does not activate an opioid receptor thereby blocking the actions of endogenous or exogenous opioid receptor agonists." [] subset: 3_STAR synonym: "opiate antagonist" RELATED [ChEBI] synonym: "opiate antagonists" RELATED [ChEBI] synonym: "opioid antagonist" RELATED [ChEBI] synonym: "opioid antagonists" RELATED [ChEBI] synonym: "opioid receptor antagonists" RELATED [ChEBI] xref: Wikipedia:Opioid_antagonist is_a: CHEBI:48706 ! antagonist is_a: CHEBI:60598 ! opioid agent [Term] id: CHEBI:60606 name: opioid receptor agonist namespace: chebi_ontology def: "An agent that selectively binds to and activates an opioid receptor." [] subset: 3_STAR synonym: "opiate agonist" RELATED [ChEBI] synonym: "opiate agonists" RELATED [ChEBI] synonym: "opioid agonist" RELATED [ChEBI] synonym: "opioid agonists" RELATED [ChEBI] synonym: "opioid receptor agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist is_a: CHEBI:60598 ! opioid agent [Term] id: CHEBI:60607 name: metalaxyl-M namespace: chebi_ontology def: "A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the more active R-enantiomer of metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops." [] subset: 3_STAR synonym: "(-)-metalaxyl" RELATED [ChemIDplus] synonym: "(R)-metalaxyl" RELATED [ChEBI] synonym: "(R)-N-(2,6-dimethylphenyl)-N-(methoxyacetylamino)propionic acid methyl ester" RELATED [ChEBI] synonym: "mefenoxam" RELATED [ChemIDplus] synonym: "methyl (R)-2-{[(2,6-dimethylphenyl)methoxyacetyl]amino} propionate" RELATED [ChEBI] synonym: "methyl (R)-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate" RELATED [ChEBI] synonym: "methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl N-(methoxyacetyl)-N-(2,6-xylyl)-D-alaninate" RELATED [ChemIDplus] synonym: "R-metalaxyl" RELATED [ChEBI] xref: AGR:IND44452872 {source="Europe PMC"} xref: CAS:70630-17-0 {source="KEGG COMPOUND"} xref: CAS:70630-17-0 {source="ChemIDplus"} xref: KEGG:C18626 xref: Patent:WO2011012493 xref: Pesticides:metalaxyl-m {source="Alan Wood's Pesticides"} xref: PMID:19809773 {source="Europe PMC"} xref: PMID:20582630 {source="Europe PMC"} xref: PMID:21174493 {source="Europe PMC"} xref: PMID:21272886 {source="Europe PMC"} xref: PMID:21315406 {source="Europe PMC"} xref: PMID:21322247 {source="Europe PMC"} xref: PMID:21712597 {source="Europe PMC"} xref: PPDB:445 xref: Reaxys:5081553 {source="Reaxys"} is_a: CHEBI:82790 ! methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is_a: CHEBI:83944 ! D-alanine derivative is_a: CHEBI:87013 ! acylamino acid fungicide is_a: CHEBI:87015 ! anilide fungicide relationship: has_role CHEBI:33286 ! agrochemical relationship: is_enantiomer_of CHEBI:82791 ! (S)-metalaxyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H21NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQEIXNIJLIKNTD-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.33150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.14706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C" xsd:string [Term] id: CHEBI:60643 name: NMDA receptor antagonist namespace: chebi_ontology alt_id: CHEBI:60797 def: "Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor antagonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor antagonists" RELATED [ChEBI] synonym: "NMDA receptor antagonists" RELATED [ChEBI] synonym: "NMDAR antagonist" RELATED [ChEBI] synonym: "NMDAR antagonists" RELATED [ChEBI] is_a: CHEBI:60798 ! excitatory amino acid antagonist [Term] id: CHEBI:60644 name: bridged diphenyl antifungal agent namespace: chebi_ontology def: "Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has significant antifungal properties." [] subset: 3_STAR synonym: "bridged diphenyl antifungal agents" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:6067 name: isotretinoin namespace: chebi_ontology def: "A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases." [] subset: 3_STAR synonym: "(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(7E,9E,11E,13Z)-retinoic acid" RELATED [JCBN] synonym: "13-cis-retinoic acid" RELATED [JCBN] synonym: "13-cis-Vitamin A acid" RELATED [ChemIDplus] synonym: "13-RA" RELATED [ChemIDplus] synonym: "Accutane" RELATED BRAND_NAME [DrugBank] synonym: "Amnesteem" RELATED BRAND_NAME [DrugBank] synonym: "cis-RA" RELATED [ChEBI] synonym: "Claravis" RELATED BRAND_NAME [DrugBank] synonym: "isotretinoin" RELATED INN [ChemIDplus] synonym: "isotretinoina" RELATED INN [WHO_MedNet] synonym: "isotretinoine" RELATED INN [WHO_MedNet] synonym: "isotretinoino" RELATED [ChemIDplus] synonym: "isotretinoinum" RELATED INN [ChemIDplus] synonym: "Neovitamin A acid" RELATED [ChemIDplus] xref: Beilstein:1885770 {source="Beilstein"} xref: CAS:4759-48-2 {source="ChemIDplus"} xref: Drug_Central:1508 {source="DrugCentral"} xref: DrugBank:DB00982 xref: HMDB:HMDB0006219 xref: KEGG:D00348 xref: LIPID_MAPS_instance:LMPR01090021 {source="LIPID MAPS"} xref: Patent:EP111325 xref: Patent:US4556518 xref: PMID:11606947 {source="Europe PMC"} xref: PMID:11866680 {source="Europe PMC"} xref: PMID:15304471 {source="Europe PMC"} xref: PMID:18077132 {source="Europe PMC"} xref: PMID:18788179 {source="Europe PMC"} xref: PMID:19568610 {source="Europe PMC"} xref: PMID:20482692 {source="Europe PMC"} xref: PMID:23676507 {source="Europe PMC"} xref: PMID:9807973 {source="Europe PMC"} xref: Reaxys:1885770 {source="Reaxys"} xref: Wikipedia:Isotretinoin is_a: CHEBI:26536 ! retinoic acid relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:50905 ! teratogenic agent relationship: is_conjugate_acid_of CHEBI:169952 ! 13-cis-retinoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-XFYACQKRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.43512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\\C(O)=O" xsd:string [Term] id: CHEBI:60720 name: sodium silicate namespace: chebi_ontology def: "An inorganic sodium salt having silicate as the counterion." [] subset: 3_STAR synonym: "disodium oxosilanediolate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium metasilicate" RELATED [ChEBI] synonym: "Sodium polysilicate" RELATED [ChemIDplus] synonym: "Sodium sesquisilicate" RELATED [ChemIDplus] synonym: "Sodium silicate glass" RELATED [ChemIDplus] synonym: "Sodium siliconate" RELATED [ChemIDplus] xref: CAS:1344-09-8 {source="ChemIDplus"} xref: PMID:8991630 {source="Europe PMC"} xref: Reaxys:11343143 {source="Reaxys"} xref: Wikipedia:Sodium_silicate is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:48123 ! silicate ion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na2O3Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTHWMYGWWRZVTN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.06320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.94121" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-][Si]([O-])=O" xsd:string [Term] id: CHEBI:60737 name: polyurethane polymer subset: envoPlastics is_a: CHEBI:60029 ! homopolymer [Term] id: CHEBI:60761 name: floxuridine namespace: chebi_ontology def: "A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract." [] subset: 3_STAR synonym: "1-(2-Deoxy-beta-D-ribofuranosyl)-5-fluorouracil" RELATED [ChemIDplus] synonym: "1-beta-D-2'-Deoxyribofuranosyl-5-flurouracil" RELATED [ChemIDplus] synonym: "1beta-D-2'-Deoxyribofuranosyl-5-flurouracil" RELATED [ChemIDplus] synonym: "2'-Deoxy-5-fluorouridine" RELATED [ChemIDplus] synonym: "5-fluoro-2'-deoxyuridine" EXACT IUPAC_NAME [IUPAC] synonym: "5-fluoro-2'-deoxyuridine" RELATED [ChEBI] synonym: "5-Fluoro-2-desoxyuridine" RELATED [ChemIDplus] synonym: "5-Fluorodeoxyuridine" RELATED [KEGG_COMPOUND] synonym: "5-Fluorouracil 2'-deoxyriboside" RELATED [ChemIDplus] synonym: "5-Fluorouracil deoxyriboside" RELATED [NIST_Chemistry_WebBook] synonym: "5FDU" RELATED [DrugBank] synonym: "beta-5-Fluoro-2'-deoxyuridine" RELATED [ChemIDplus] synonym: "Deoxyfluorouridine" RELATED [DrugBank] synonym: "FdU" RELATED [ChEBI] synonym: "floxiridina" RELATED INN [DrugBank] synonym: "Floxuridin" RELATED [ChemIDplus] synonym: "Floxuridine" EXACT [KEGG_COMPOUND] synonym: "floxuridine" RELATED INN [KEGG_DRUG] synonym: "floxuridinum" RELATED INN [DrugBank] synonym: "Fluorodeoxyuridine" RELATED [DrugBank] synonym: "Fluoruridine Deoxyribose" RELATED [DrugBank] synonym: "Fluoruridine deoxyribose" RELATED [ChemIDplus] xref: CAS:50-91-9 {source="KEGG COMPOUND"} xref: CAS:50-91-9 {source="KEGG DRUG"} xref: CAS:50-91-9 {source="NIST Chemistry WebBook"} xref: CAS:50-91-9 {source="ChemIDplus"} xref: Drug_Central:1184 {source="DrugCentral"} xref: DrugBank:DB00322 xref: HMDB:HMDB0014467 xref: KEGG:C11736 xref: KEGG:D04197 xref: LINCS:LSM-5588 xref: PMID:12520460 {source="Europe PMC"} xref: PMID:19744858 {source="Europe PMC"} xref: PMID:19917528 {source="Europe PMC"} xref: PMID:20218622 {source="Europe PMC"} xref: PMID:20363130 {source="Europe PMC"} xref: PMID:20391188 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:29438107 {source="Europe PMC"} xref: PMID:3950402 {source="Europe PMC"} xref: Reaxys:90221 {source="Reaxys"} xref: Wikipedia:Floxuridine is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:60783 ! nucleoside analogue relationship: has_role CHEBI:132992 ! radiosensitizing agent relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:36044 ! antiviral drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11FN2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKNJVUHOIMIIZ-RRKCRQDMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "246.19240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.06520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:60783 name: nucleoside analogue namespace: chebi_ontology def: "An analogue of a nucleoside, being an N-glycosyl compound in which the nitrogen-containing moiety is a modified nucleotide base. They are commonly used as antiviral products to prevent viral replication in infected cells." [] subset: 3_STAR synonym: "nucleoside analogues" RELATED [ChEBI] is_a: CHEBI:21731 ! N-glycosyl compound [Term] id: CHEBI:60798 name: excitatory amino acid antagonist namespace: chebi_ontology def: "Any substance which inhibits the action of receptors for excitatory amino acids." [] subset: 3_STAR synonym: "EAA receptor antagonist" RELATED [ChEBI] synonym: "EAA receptor antagonists" RELATED [ChEBI] synonym: "excitatory amino acid antagonists" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonist" RELATED [ChEBI] synonym: "excitatory amino acid receptor antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:60799 name: esketamine namespace: chebi_ontology def: "The S- (more active) enantiomer of ketamine." [] subset: 3_STAR synonym: "(-)-ketamine" RELATED [ChemIDplus] synonym: "(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-ketamine" RELATED [ChemIDplus] synonym: "(S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone" RELATED [ChemIDplus] synonym: "(S)-ketamine" RELATED [ChemIDplus] synonym: "esketamine" RELATED INN [ChemIDplus] xref: CAS:33643-46-8 {source="KEGG DRUG"} xref: CAS:33643-46-8 {source="ChemIDplus"} xref: Drug_Central:4468 {source="DrugCentral"} xref: DrugBank:DB01221 xref: KEGG:D07283 xref: Reaxys:4295313 {source="Reaxys"} is_a: CHEBI:6121 ! ketamine relationship: is_enantiomer_of CHEBI:580604 ! (R)-ketamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQEZLKZALYSWHR-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.72500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "237.09204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@@]1(CCCCC1=O)c1ccccc1Cl" xsd:string [Term] id: CHEBI:60804 name: copolymer namespace: chebi_ontology def: "A polymer, composed of copolymer macromolecules." [] subset: 3_STAR synonym: "co-polymer" RELATED [ChEBI] synonym: "co-polymers" RELATED [ChEBI] synonym: "copolymers" RELATED [ChEBI] is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:53310 ! copolymer macromolecule [Term] id: CHEBI:60807 name: anaesthesia adjuvant namespace: chebi_ontology def: "Any substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time." [] subset: 3_STAR synonym: "anaesthesia adjuvants" RELATED [ChEBI] synonym: "anaesthestic adjuvant" RELATED [ChEBI] synonym: "anaesthestic adjuvants" RELATED [ChEBI] is_a: CHEBI:60809 ! adjuvant [Term] id: CHEBI:60809 name: adjuvant namespace: chebi_ontology def: "Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself." [] subset: 3_STAR synonym: "adjuvants" RELATED [ChEBI] is_a: CHEBI:52217 ! pharmaceutical [Term] id: CHEBI:60832 name: tubulin modulator namespace: chebi_ontology def: "Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules." [] subset: 3_STAR synonym: "tubulin modulators" RELATED [ChEBI] is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:60892 name: polyamino carboxylic acid namespace: chebi_ontology def: "An amino acid containing one or more nitrogen atoms connected through carbon atoms to one or more carboxy groups." [] subset: 3_STAR synonym: "aminopolycarboxylic acid" RELATED [ChEBI] synonym: "aminopolycarboxylic acids" RELATED [ChEBI] synonym: "complexone" RELATED [ChEBI] synonym: "complexones" RELATED [ChEBI] synonym: "polyamino carboxylic acids" RELATED [ChEBI] xref: Wikipedia:Aminopolycarboxylic_acid is_a: CHEBI:33709 ! amino acid [Term] id: CHEBI:60895 name: D-alpha-amino acid anion namespace: chebi_ontology def: "Any alpha-amino acid anion in which the parent amino acid has D-configuration." [] subset: 3_STAR synonym: "D-alpha-amino acid anions" RELATED [ChEBI] synonym: "D-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:16733 ! D-alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:60911 name: racemate namespace: chebi_ontology def: "A racemate is an equimolar mixture of a pair of enantiomers." [] subset: 3_STAR synonym: "melange racemique" RELATED [ChEBI] synonym: "racemates" RELATED [ChEBI] synonym: "racemic mixture" RELATED [ChEBI] is_a: CHEBI:60004 ! mixture [Term] id: CHEBI:60915 name: diastereoisomeric mixture namespace: chebi_ontology def: "A mixture composed of two or more diastereoisomers (stereoisomers not related as mirror images)." [] subset: 3_STAR synonym: "diastereomeric mixture" RELATED [ChEBI] is_a: CHEBI:60004 ! mixture [Term] id: CHEBI:60926 name: amino monosaccharide namespace: chebi_ontology def: "Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group." [] subset: 3_STAR synonym: "amino monosaccharides" RELATED [ChEBI] is_a: CHEBI:28963 ! amino sugar property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:60977 name: phenylalkylamine namespace: chebi_ontology def: "An arylalkylamine in which the aryl group is phenyl." [] subset: 3_STAR synonym: "alkylphenylamine" RELATED [ChEBI] synonym: "alkylphenylamines" RELATED [ChEBI] synonym: "N-alkylaniline" RELATED [ChEBI] synonym: "N-alkylanilines" RELATED [ChEBI] synonym: "N-alkylphenylamine" RELATED [ChEBI] synonym: "N-alkylphenylamines" RELATED [ChEBI] synonym: "N-phenylalkylamine" RELATED [ChEBI] synonym: "N-phenylalkylamines" RELATED [ChEBI] synonym: "phenylalkylamine" EXACT [ChEBI] synonym: "phenylalkylamines" RELATED [ChEBI] is_a: CHEBI:22644 ! arylalkylamine [Term] id: CHEBI:60980 name: beta-glucoside namespace: chebi_ontology def: "A glucoside in which the anomeric carbon of the glycosidic bond is in a beta configuration" [] subset: 3_STAR synonym: "beta-glucosides" RELATED [ChEBI] is_a: CHEBI:24278 ! glucoside [Term] id: CHEBI:609827 name: L-canavanine namespace: chebi_ontology alt_id: CHEBI:3345 alt_id: CHEBI:42902 alt_id: CHEBI:616834 def: "A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic." [] subset: 3_STAR synonym: "2-Amino-4-(guanidinooxy)butyric acid" RELATED [ChemIDplus] synonym: "Canavanine" RELATED [KEGG_COMPOUND] synonym: "L-CANAVANINE" EXACT [PDBeChem] synonym: "L-Canavanine" EXACT [KEGG_COMPOUND] synonym: "O-((Aminoiminomethyl)amino)-L-homoserine" RELATED [ChemIDplus] synonym: "O-carbamimidamido-L-homoserine" EXACT IUPAC_NAME [IUPAC] xref: CAS:543-38-4 {source="ChemIDplus"} xref: CAS:543-38-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002706 xref: KEGG:C00308 xref: KNApSAcK:C00001347 xref: MetaCyc:CANAVANINE xref: PDBeChem:GGB xref: PMID:22279227 {source="Europe PMC"} xref: PMID:23671680 {source="Europe PMC"} xref: Reaxys:1726113 {source="Reaxys"} xref: Wikipedia:Canavanine is_a: CHEBI:83822 ! non-proteinogenic L-alpha-amino acid relationship: has_functional_parent CHEBI:15699 ! L-homoserine relationship: has_role CHEBI:22917 ! phytogenic insecticide relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_base_of CHEBI:78902 ! L-canavanine(1+) relationship: is_tautomer_of CHEBI:405237 ! L-canavanine zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSBIGDSBMBYOPN-VKHMYHEASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.17380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.09094" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCONC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:61015 name: nephrotoxin namespace: chebi_ontology def: "A poison that interferes with the function of the kidneys." [] subset: 3_STAR synonym: "nephrotoxins" RELATED [ChEBI] is_a: CHEBI:50909 ! nephrotoxic agent is_a: CHEBI:64909 ! poison [Term] id: CHEBI:61016 name: angiotensin receptor antagonist namespace: chebi_ontology def: "A hormone antagonist that blocks angiotensin receptors." [] subset: 3_STAR synonym: "angiotensin receptor antagonists" RELATED [ChEBI] is_a: CHEBI:49020 ! hormone antagonist [Term] id: CHEBI:61049 name: tacrolimus (anhydrous) namespace: chebi_ontology alt_id: CHEBI:42555 alt_id: CHEBI:4958 def: "A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis." [] subset: 3_STAR synonym: "(-)-FK 506" RELATED [ChemIDplus] synonym: "(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone" EXACT IUPAC_NAME [IUPAC] synonym: "8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN" RELATED [PDBeChem] synonym: "FK 506" RELATED [KEGG_COMPOUND] synonym: "FK506" RELATED [KEGG_COMPOUND] synonym: "Prograf" RELATED BRAND_NAME [ChEBI] synonym: "Tacrolimus" RELATED [KEGG_COMPOUND] synonym: "tacrolimus" RELATED [ChemIDplus] synonym: "tacrolimus" RELATED INN [KEGG_DRUG] synonym: "tacrolimus anhydrous" RELATED [ChemIDplus] xref: CAS:104987-11-3 {source="KEGG DRUG"} xref: CAS:104987-11-3 {source="KEGG COMPOUND"} xref: CAS:104987-11-3 {source="ChemIDplus"} xref: DrugBank:DB00864 xref: KEGG:C01375 xref: KEGG:D08556 xref: LIPID_MAPS_instance:LMPK04000003 {source="LIPID MAPS"} xref: Patent:EP184162 xref: Patent:US5665727 xref: PDBeChem:FK5 xref: Reaxys:3647477 {source="Reaxys"} xref: Reaxys:8821611 {source="Reaxys"} is_a: CHEBI:145565 ! macrolide lactam relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C44H69NO12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QJJXYPPXXYFBGM-LFZNUXCKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "804.01820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "803.48198" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CO[C@@H]1C[C@@H](CC[C@H]1O)\\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\\C(C)=C\\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC" xsd:string [Term] id: CHEBI:61050 name: alkyl hydroperoxide namespace: chebi_ontology def: "A peroxol R-OOH where the substituent R is an alkyl group." [] subset: 3_STAR is_a: CHEBI:35924 ! peroxol [Term] id: CHEBI:61051 name: lipid hydroperoxide namespace: chebi_ontology def: "Any lipid carrying one or more hydroperoxy substituents." [] subset: 3_STAR synonym: "a lipid hydroperoxide" RELATED [UniProt] synonym: "lipid hydroperoxides" RELATED [ChEBI] xref: KEGG:C01025 is_a: CHEBI:18059 ! lipid is_a: CHEBI:35924 ! peroxol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.00670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OO[*]" xsd:string [Term] id: CHEBI:61057 name: tacrolimus hydrate namespace: chebi_ontology def: "A hydrate that is the monohydrate form of tacrolimus." [] subset: 3_STAR synonym: "(-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate" RELATED [ChemIDplus] synonym: "(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone--water (1/1)" EXACT IUPAC_NAME [IUPAC] synonym: "Prograf" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Protopic" RELATED BRAND_NAME [KEGG_DRUG] synonym: "tacrolimus" RELATED [ChemIDplus] synonym: "tacrolimus monohydrate" RELATED [ChEBI] synonym: "tsukubaenolide hydrate" RELATED [ChemIDplus] xref: CAS:109581-93-3 {source="ChemIDplus"} xref: CAS:109581-93-3 {source="KEGG DRUG"} xref: DrugBank:DB00864 xref: KEGG:D00107 xref: Reaxys:6265275 {source="Reaxys"} is_a: CHEBI:35505 ! hydrate relationship: has_part CHEBI:61049 ! tacrolimus (anhydrous) relationship: has_role CHEBI:35705 ! immunosuppressive agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C44H71NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWJQLQGQZSIBAF-MLAUYUEBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "822.03340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "821.49254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O.CO[C@@H]1C[C@@H](CC[C@H]1O)\\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]([C@H](C[C@@H](C)C\\C(C)=C\\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC)[C@H](C[C@H]2C)OC" xsd:string [Term] id: CHEBI:61073 name: oxygen radical namespace: chebi_ontology def: "An inorganic radical in which a free electron resides on one or more oxygen atoms of an oxygen species." [] subset: 3_STAR synonym: "oxygen radicals" RELATED [ChEBI] is_a: CHEBI:26523 ! reactive oxygen species is_a: CHEBI:36871 ! inorganic radical [Term] id: CHEBI:61115 name: EC 3.5.1.98 (histone deacetylase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98)." [] subset: 3_STAR synonym: "EC 3.5.1.98 (histone deacetylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.98 inhibitors" RELATED [ChEBI] synonym: "HDAC inhibitor" RELATED [ChEBI] synonym: "HDAC inhibitors" RELATED [ChEBI] synonym: "HDACi" RELATED [ChEBI] synonym: "HDACis" RELATED [ChEBI] synonym: "HDI" RELATED [ChEBI] synonym: "HDIs" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitor" RELATED [ChEBI] synonym: "histone amidohydrolase inhibitors" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitor" RELATED [ChEBI] synonym: "histone deacetylase (EC 3.5.1.98) inhibitors" RELATED [ChEBI] synonym: "histone deacetylase inhibitor" RELATED [ChEBI] synonym: "histone deacetylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histone_deacetylase_inhibitor is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:61120 name: nucleobase-containing molecular entity namespace: chebi_ontology def: "Any compound that has a nucleobase as a part." [] subset: 3_STAR synonym: "nucleobase-containing compound" RELATED [SUBMITTER] synonym: "nucleobase-containing compounds" RELATED [ChEBI] synonym: "nucleobase-containing molecular entities" RELATED [ChEBI] is_a: CHEBI:33833 ! heteroarene is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_functional_parent CHEBI:18282 ! nucleobase [Term] id: CHEBI:61170 name: metoclopramide(1+) namespace: chebi_ontology def: "An ammonium ion obtained by protonation of the tertiary amino group of metoclopramide." [] subset: 3_STAR synonym: "2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:107736 ! metoclopramide relationship: is_conjugate_base_of CHEBI:61172 ! metoclopramide(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H23ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TTWJBBZEZQICBI-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.80400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.14733" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC" xsd:string [Term] id: CHEBI:61172 name: metoclopramide(2+) namespace: chebi_ontology def: "An ammonium ion that is obtained by protonation of both the tertiary amino group and the anilino nitrogen of metoclopramide." [] subset: 3_STAR synonym: "2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:61170 ! metoclopramide(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H24ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/p+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TTWJBBZEZQICBI-UHFFFAOYSA-P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "301.81200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "301.15461" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC" xsd:string [Term] id: CHEBI:6121 name: ketamine namespace: chebi_ontology alt_id: CHEBI:138833 def: "A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group." [] subset: 3_STAR synonym: "(+-)-ketamine" RELATED [ChemIDplus] synonym: "2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone" RELATED [ChEMBL] synonym: "2-(2-chlorophenyl)-2-(methylamino)cyclohexanone" EXACT IUPAC_NAME [IUPAC] synonym: "2-(methylamino)-2-(2-chlorophenyl)cyclohexanone" RELATED [ChemIDplus] synonym: "2-(o-chlorophenyl)-2-(methylamino)-cyclohexanone" RELATED [ChemIDplus] synonym: "DL-ketamine" RELATED [ChEBI] synonym: "dl-ketamine" RELATED [ChemIDplus] synonym: "ketamina" RELATED INN [WHO_MedNet] synonym: "KETAMINE" EXACT [ChEMBL] synonym: "Ketamine" EXACT [KEGG_COMPOUND] synonym: "ketamine" RELATED INN [ChemIDplus] synonym: "ketamine" RELATED INN [WHO_MedNet] synonym: "ketaminum" RELATED INN [ChemIDplus] synonym: "NMDA" RELATED [ChEBI] synonym: "special K" RELATED [ChemIDplus] xref: CAS:100477-72-3 {source="NIST Chemistry WebBook"} xref: CAS:6740-88-1 {source="KEGG COMPOUND"} xref: CAS:6740-88-1 {source="ChemIDplus"} xref: Drug_Central:1523 {source="DrugCentral"} xref: DrugBank:DB01221 xref: HMDB:HMDB0015352 xref: KEGG:C07525 xref: KEGG:D08098 xref: Patent:BE634208 xref: Patent:US3254124 xref: PMID:3783598 {source="ChEMBL"} xref: Reaxys:2216965 {source="Reaxys"} xref: VSDB:2978 xref: Wikipedia:Ketamine is_a: CHEBI:23482 ! cyclohexanones is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38877 ! intravenous anaesthetic relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQEZLKZALYSWHR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.72500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "237.09204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC1(CCCCC1=O)c1ccccc1Cl" xsd:string [Term] id: CHEBI:6128 name: ketoprofen namespace: chebi_ontology def: "An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2." [] subset: 3_STAR synonym: "2-(3-benzoylphenyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-(3-Benzoylphenyl)propionic acid" RELATED [ChemIDplus] synonym: "3-Benzoyl-alpha-methylbenzeneacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-Benzoylhydratropic acid" RELATED [ChemIDplus] synonym: "Ketoprofen" EXACT [KEGG_COMPOUND] synonym: "L'Acide (benzoyl-3-phenyl)-2-propionique" RELATED [NIST_Chemistry_WebBook] synonym: "m-Benzoylhydratropic acid" RELATED [ChemIDplus] synonym: "Orudis (TN)" RELATED [KEGG_DRUG] xref: CAS:22071-15-4 {source="KEGG COMPOUND"} xref: CAS:22071-15-4 {source="ChemIDplus"} xref: CAS:22071-15-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:1528 {source="DrugCentral"} xref: DrugBank:DB01009 xref: HMDB:HMDB0015144 xref: KEGG:C01716 xref: KEGG:D00132 xref: LINCS:LSM-1955 xref: PMID:11452775 {source="Europe PMC"} xref: PMID:12772856 {source="Europe PMC"} xref: PMID:18969772 {source="Europe PMC"} xref: Reaxys:2216071 {source="Reaxys"} xref: Wikipedia:Ketoprofen is_a: CHEBI:22726 ! benzophenones is_a: CHEBI:35871 ! oxo monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKYWVDODHFEZIM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.28056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1" xsd:string [Term] id: CHEBI:61292 name: guanyl nucleotide namespace: chebi_ontology def: "A nucleotide having guanine as the base." [] subset: 3_STAR synonym: "guanine nucleotide" RELATED [SUBMITTER] is_a: CHEBI:26395 ! purine nucleotide relationship: has_functional_parent CHEBI:16235 ! guanine [Term] id: CHEBI:61293 name: adenyl nucleotide namespace: chebi_ontology def: "A nucleotide having adenine as the base." [] subset: 3_STAR synonym: "adenine nucleotide" RELATED [SUBMITTER] is_a: CHEBI:26395 ! purine nucleotide [Term] id: CHEBI:61295 name: guanyl ribonucleotide namespace: chebi_ontology def: "A purine ribonucleotide where the purine is guanine." [] subset: 3_STAR synonym: "guanine ribonucleotide" RELATED [SUBMITTER] is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:61292 ! guanyl nucleotide [Term] id: CHEBI:61296 name: adenyl ribonucleotide namespace: chebi_ontology def: "A purine riboncleotide where adenine is the purine." [] subset: 3_STAR synonym: "adenine ribonucleotide" RELATED [SUBMITTER] is_a: CHEBI:26400 ! purine ribonucleotide is_a: CHEBI:61293 ! adenyl nucleotide [Term] id: CHEBI:61313 name: C21-steroid namespace: chebi_ontology def: "A steroid that has a structure based on a 21-carbon (pregnane) skeleton. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure." [] subset: 3_STAR synonym: "a C21-steroid" RELATED [UniProt] is_a: CHEBI:35341 ! steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWMFYGXQPXQEEM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.511" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.28170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CC)C)C" xsd:string [Term] id: CHEBI:61336 name: C4-dicarboxylate namespace: chebi_ontology def: "A dicarboxylate that contains four carbon atoms." [] subset: 3_STAR is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:66873 ! C4-dicarboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[*]C([O-])=O" xsd:string [Term] id: CHEBI:61355 name: 3-hydroxy carboxylic acid namespace: chebi_ontology def: "Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group." [] subset: 3_STAR synonym: "3-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "3-hydroxycarboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxy carboxylic acids" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acid" RELATED [ChEBI] synonym: "beta-hydroxycarboxylic acids" RELATED [ChEBI] is_a: CHEBI:24669 ! hydroxy carboxylic acid [Term] id: CHEBI:61484 name: polyimide polymer namespace: chebi_ontology def: "A polymer, composed of polyimide macromolecules." [] subset: 3_STAR synonym: "PI" RELATED [ChEBI] synonym: "poly(imide)" RELATED [ChEBI] synonym: "poly(imide)s" RELATED [ChEBI] synonym: "polyimide" RELATED [ChEBI] synonym: "polyimides" RELATED [ChEBI] is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:53232 ! polyimide macromolecule [Term] id: CHEBI:61485 name: thiopental(1-) namespace: chebi_ontology def: "A thiolate anion resulting from the removal of a proton from one of the nitrogens of thiopental and tautomerisation." [] subset: 3_STAR synonym: "5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate" EXACT IUPAC_NAME [IUPAC] synonym: "pentothiobarbital(1-)" RELATED [ChEBI] synonym: "thiopentobarbitone(1-)" RELATED [ChEBI] synonym: "thiopentone(1-)" RELATED [ChEBI] is_a: CHEBI:50539 ! thiolate anion relationship: is_conjugate_base_of CHEBI:102166 ! thiopental property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.33000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.10162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O" xsd:string [Term] id: CHEBI:61557 name: nucleoside 5'-triphoshate(4-) namespace: chebi_ontology def: "A ribonucleoside triphosphate oxoanion arising from global deprotonation of the triphosphate groups of any nucleoside triphosphate; major species at pH 7.3." [] subset: 3_STAR synonym: "a ribonucleoside 5'-triphosphate" RELATED [UniProt] synonym: "NTP tetraanion" RELATED [ChEBI] synonym: "NTP(4-)" RELATED [SUBMITTER] synonym: "nucleoside 5'-triphosphate tetraanion" RELATED [ChEBI] synonym: "nucleoside triphosphate(4-)" RELATED [ChEBI] is_a: CHEBI:59724 ! ribonucleoside triphosphate oxoanion relationship: is_conjugate_base_of CHEBI:58104 ! nucleoside 5'-triphoshate(3-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O13P3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "369.031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.91778" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](O)[C@@H](O1)*)O)COP(OP(OP(=O)([O-])[O-])(=O)[O-])(=O)[O-]" xsd:string [Term] id: CHEBI:615597 name: benzyl chloride namespace: chebi_ontology alt_id: CHEBI:51506 def: "A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine." [] subset: 3_STAR synonym: "(chloromethyl)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Chlorotoluene" RELATED [ChemIDplus] synonym: "alpha-Chlorotoluene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Chlortoluol" RELATED [ChemIDplus] synonym: "Benzylchlorid" RELATED [ChemIDplus] synonym: "Chlorure de benzyle" RELATED [ChemIDplus] synonym: "omega-Chlorotoluene" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:471308 {source="Beilstein"} xref: CAS:100-44-7 {source="NIST Chemistry WebBook"} xref: CAS:100-44-7 {source="ChemIDplus"} xref: CAS:100-44-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0059882 xref: KEGG:C19167 xref: PMID:24559471 {source="Europe PMC"} xref: PPDB:1644 xref: Reaxys:471308 {source="Reaxys"} xref: Wikipedia:Benzyl_chloride is_a: CHEBI:59852 ! benzyl chlorides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCXMKQUNVWSEMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.58318" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.02363" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCc1ccccc1" xsd:string [Term] id: CHEBI:61595 name: p-nitrophenyl group namespace: chebi_ontology def: "An aryl group obtained via removal of the hydrogen atom from the 4-position of nitrobenzene." [] subset: 3_STAR synonym: "4-nitrophenyl" RELATED [ChEBI] synonym: "4-nitrophenyl group" RELATED [ChEBI] synonym: "p-nitrophenyl" RELATED [ChEBI] xref: PMID:15267227 {source="Europe PMC"} is_a: CHEBI:33249 ! organyl group relationship: is_substituent_group_from CHEBI:27798 ! nitrobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.10150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(C=CC1*)[N+]([O-])=O" xsd:string [Term] id: CHEBI:616459 name: carbamimidoylazanium namespace: chebi_ontology subset: 2_STAR is_a: CHEBI:35359 ! carboxamidine relationship: is_conjugate_base_of CHEBI:30087 ! guanidinium [Term] id: CHEBI:61660 name: organic sulfamate oxoanion namespace: chebi_ontology def: "An anion resulting from the removal of a proton from an organic sulfamic acid group." [] subset: 3_STAR synonym: "an organic sulfamic acid anion" RELATED [ChEBI] synonym: "organic sulfamic acid anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:33482 ! sulfur oxoanion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.95989" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)N([*])[*]" xsd:string [Term] id: CHEBI:61689 name: amino cyclitol namespace: chebi_ontology def: "Any cyclitol having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups." [] subset: 3_STAR synonym: "amino cyclitols" RELATED [ChEBI] synonym: "aminocyclitol" RELATED [ChEBI] synonym: "aminocyclitols" RELATED [ChEBI] is_a: CHEBI:23451 ! cyclitol [Term] id: CHEBI:61697 name: fatty acid derivative namespace: chebi_ontology def: "Any organic molecular entity derived from a fatty acid." [] subset: 3_STAR synonym: "FA derivative" RELATED [ChEBI] synonym: "FA derivatives" RELATED [ChEBI] synonym: "fatty acid derivatives" RELATED [ChEBI] is_a: CHEBI:18059 ! lipid relationship: has_functional_parent CHEBI:35366 ! fatty acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:61908 name: EC 1.14.13.39 (nitric oxide synthase) inhibitor namespace: chebi_ontology def: "An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39)." [] subset: 3_STAR synonym: "EC 1.14.13.39 (nitric oxide synthase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.39 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.13.39 inhibitors" RELATED [ChEBI] synonym: "endothelium-derived relaxation factor-forming enzyme inhibitor" RELATED [ChEBI] synonym: "endothelium-derived relaxation factor-forming enzyme inhibitors" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor synthase inhibitor" RELATED [ChEBI] synonym: "endothelium-derived relaxing factor synthase inhibitors" RELATED [ChEBI] synonym: "NADPH-diaphorase inhibitor" RELATED [ChEBI] synonym: "NADPH-diaphorase inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthase (EC 1.14.13.39) inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthase (EC 1.14.13.39) inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthase inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthase inhibitors" RELATED [ChEBI] synonym: "nitric oxide synthetase inhibitor" RELATED [ChEBI] synonym: "nitric oxide synthetase inhibitors" RELATED [ChEBI] synonym: "nitric-oxide synthetase inhibitor" RELATED [ChEBI] synonym: "nitric-oxide synthetase inhibitors" RELATED [ChEBI] synonym: "NO synthase inhibitor" RELATED [ChEBI] synonym: "NO synthase inhibitors" RELATED [ChEBI] xref: Wikipedia:Nitric_oxide_synthase is_a: CHEBI:76841 ! EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor [Term] id: CHEBI:61950 name: microtubule-stabilising agent namespace: chebi_ontology def: "Any substance that interacts with tubulin to promote polymerisation of microtubules." [] subset: 3_STAR synonym: "microtubule stabilising agent" RELATED [ChEBI] synonym: "microtubule stabilising role" RELATED [ChEBI] synonym: "microtubule stabilizing agent" RELATED [ChEBI] synonym: "microtubule stabilizing agents" RELATED [ChEBI] synonym: "microtubule stabilizing role" RELATED [SUBMITTER] synonym: "microtubule-stabilising agents" RELATED [ChEBI] synonym: "microtubule-stabilizing agent" RELATED [ChEBI] xref: PMID:11470606 {source="Europe PMC"} is_a: CHEBI:60832 ! tubulin modulator [Term] id: CHEBI:61951 name: microtubule-destabilising agent namespace: chebi_ontology def: "Any substance that interacts with tubulin to inhibit polymerisation of microtubules." [] subset: 3_STAR synonym: "microtubule destabilising agent" RELATED [ChEBI] synonym: "microtubule destabilising agents" RELATED [ChEBI] synonym: "microtubule destabilising role" RELATED [ChEBI] synonym: "microtubule destabilizing role" RELATED [SUBMITTER] synonym: "microtubule-destabilising agents" RELATED [ChEBI] synonym: "microtubule-destabilizing agent" RELATED [ChEBI] synonym: "microtubule-destabilizing agents" RELATED [ChEBI] xref: PMID:17099073 {source="Europe PMC"} is_a: CHEBI:60832 ! tubulin modulator is_a: CHEBI:64911 ! antimitotic [Term] id: CHEBI:61966 name: metabotropic glutamate receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a metabotropic glutamate receptor." [] subset: 3_STAR synonym: "metabotropic glutamate receptor agonists" RELATED [ChEBI] synonym: "mGluRs agonist" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:62031 name: polar amino acid zwitterion namespace: chebi_ontology def: "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group." [] subset: 2_STAR synonym: "a polar amino acid" RELATED [UniProt] xref: MetaCyc:Polar-amino-acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:26167 ! polar amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C([O-])=O)(*)[NH3+]" xsd:string [Term] id: CHEBI:62049 name: acyl donor namespace: chebi_ontology def: "Any donor that can transfer acyl groups between molecular entities." [] subset: 3_STAR xref: PMID:16100120 {source="Europe PMC"} xref: PMID:19052863 {source="Europe PMC"} is_a: CHEBI:17891 ! donor [Term] id: CHEBI:62071 name: 2-cis-abscisate namespace: chebi_ontology alt_id: CHEBI:49196 def: "A monocarboxylic acid anion that is the conjugate base of cis-abscisic acid; major species at pH 7.3." [] subset: 3_STAR synonym: "2-cis-abscisate anion" RELATED [ChEBI] synonym: "2-cis-abscisate(1-)" RELATED [ChEBI] synonym: "2-cis-abscisic acid anion" RELATED [ChEBI] synonym: "abscisate" RELATED [ChEBI] synonym: "abscisate anion" RELATED [ChEBI] synonym: "abscisate(1-)" RELATED [ChEBI] synonym: "abscisic acid anion" RELATED [ChEBI] is_a: CHEBI:62432 ! abscisates relationship: is_conjugate_base_of CHEBI:22152 ! 2-cis-abscisic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLIDBLDQVAYHNE-LXGGSRJLSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.30900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.12888" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1(O)C(C)=CC(=O)CC1(C)C)=C\\C([O-])=O" xsd:string [Term] id: CHEBI:62081 name: 1,1-diunsubstituted alkanesulfonate namespace: chebi_ontology def: "An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens." [] subset: 3_STAR synonym: "1,1-di-unsubstituted alkanesulfonate" RELATED [ChEBI] synonym: "1,1-di-unsubstituted alkanesulfonates" RELATED [ChEBI] synonym: "1,1-diunsubstituted alkanesulfonates" RELATED [ChEBI] xref: KEGG:C15521 xref: MetaCyc:Alkanesulfonates is_a: CHEBI:134249 ! alkanesulfonate oxoanion relationship: has_role CHEBI:35703 ! xenobiotic property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "94.09000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.97246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([*])S([O-])(=O)=O" xsd:string [Term] id: CHEBI:62215 name: allelochemical namespace: chebi_ontology def: "A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory." [] subset: 3_STAR synonym: "allelochemicals" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:62431 name: abscisic acids namespace: chebi_ontology def: "Any apo carotenoid sesquiterpenoid that is 3-methylpenta-2,4-dienoic acid substituted at position 5 by a 1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl group and in which the acyclic double bond between positions 4 and 5 has E-configuration." [] subset: 3_STAR synonym: "(4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "abscisic acid" RELATED [ChEBI] is_a: CHEBI:134397 ! tertiary allylic alcohol is_a: CHEBI:36758 ! apo carotenoid sesquiterpenoid is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:62432 ! abscisates property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H20O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7?" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLIDBLDQVAYHNE-FEGZXCSJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.31690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.13616" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C(O)=O)=C(C)\\C=C\\C1(O)C(C)=CC(=O)CC1(C)C" xsd:string [Term] id: CHEBI:62432 name: abscisates namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of any member of the class of abscisic acids." [] subset: 3_STAR synonym: "abscisate" RELATED [UniProt] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:62431 ! abscisic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7?" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLIDBLDQVAYHNE-FEGZXCSJSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.30900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.12888" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(C([O-])=O)=C(C)\\C=C\\C1(O)C(C)=CC(=O)CC1(C)C" xsd:string [Term] id: CHEBI:62488 name: signalling molecule namespace: chebi_ontology def: "A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell." [] subset: 3_STAR synonym: "signal molecule" RELATED [ChEBI] synonym: "signal molecules" RELATED [ChEBI] synonym: "signaling molecule" RELATED [ChEBI] synonym: "signaling molecules" RELATED [ChEBI] synonym: "signalling molecules" RELATED [ChEBI] is_a: CHEBI:33280 ! molecular messenger [Term] id: CHEBI:62499 name: methyl-branched fatty acid namespace: chebi_ontology def: "Any branched-chain fatty acid containing methyl branches only." [] subset: 3_STAR synonym: "methyl-branched fatty acids" RELATED [ChEBI] xref: PMID:17030019 {source="Europe PMC"} xref: PMID:19747846 {source="Europe PMC"} xref: PMID:19933331 {source="SUBMITTER"} is_a: CHEBI:35819 ! branched-chain fatty acid relationship: is_conjugate_acid_of CHEBI:67013 ! methyl-branched fatty acid anion [Term] id: CHEBI:62501 name: folate(2-) namespace: chebi_ontology def: "The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety." [] subset: 3_STAR synonym: "folate" RELATED [UniProt] synonym: "folate" RELATED [MetaCyc] synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "pteroyl-L-glutamate" RELATED [ChEBI] synonym: "pteroyl-L-monoglutamate" RELATED [ChEBI] synonym: "pteroylglutamate" RELATED [ChEBI] xref: MetaCyc:CPD-12826 {source="SUBMITTER"} xref: PMCID:PMC8181341 {source="Europe PMC"} xref: PMID:34051149 {source="Europe PMC"} is_a: CHEBI:28965 ! dicarboxylic acid dianion is_a: CHEBI:67011 ! folates relationship: has_role CHEBI:75772 ! Saccharomyces cerevisiae metabolite relationship: is_conjugate_base_of CHEBI:27470 ! folic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "439.38160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "439.12513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:62607 name: arsonium ion namespace: chebi_ontology def: "Arsonium, AsH4(+), and derivatives formed by substitution by univalent groups." [] subset: 3_STAR synonym: "arsonium ions" RELATED [ChEBI] is_a: CHEBI:22632 ! arsenic molecular entity is_a: CHEBI:33702 ! polyatomic cation [Term] id: CHEBI:62608 name: EC 4.2.1.3 (aconitate hydratase) inhibitor namespace: chebi_ontology def: "An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the function of aconitase (EC 4.2.1.3)." [] subset: 3_STAR synonym: "2-methylaconitate hydratase inhibitor" RELATED [ChEBI] synonym: "2-methylaconitate hydratase inhibitors" RELATED [ChEBI] synonym: "4.2.1.3 inhibitor" RELATED [ChEBI] synonym: "4.2.1.3 inhibitors" RELATED [ChEBI] synonym: "AcnB inhibitor" RELATED [ChEBI] synonym: "AcnB inhibitors" RELATED [ChEBI] synonym: "aconitase inhibitor" RELATED [ChEBI] synonym: "aconitase inhibitors" RELATED [ChEBI] synonym: "aconitate hydratase (EC 4.2.1.3) inhibitor" RELATED [ChEBI] synonym: "aconitate hydratase (EC 4.2.1.3) inhibitors" RELATED [ChEBI] synonym: "aconitate hydratase inhibitor" RELATED [ChEBI] synonym: "aconitate hydratase inhibitors" RELATED [ChEBI] synonym: "cis-aconitase inhibitor" RELATED [ChEBI] synonym: "cis-aconitase inhibitors" RELATED [ChEBI] synonym: "citrate hydro-lyase inhibitor" RELATED [ChEBI] synonym: "citrate hydro-lyase inhibitors" RELATED [ChEBI] synonym: "citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitor" RELATED [ChEBI] synonym: "citrate(isocitrate) hydro-lyase (cis-aconitate-forming) inhibitors" RELATED [ChEBI] synonym: "citrate(isocitrate) hydro-lyase inhibitor" RELATED [ChEBI] synonym: "citrate(isocitrate) hydro-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.3 (aconitate hydratase) inhibitors" RELATED [ChEBI] is_a: CHEBI:76907 ! EC 4.2.1.* (hydro-lyases) inhibitor [Term] id: CHEBI:62643 name: anionic phospholipid namespace: chebi_ontology def: "Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-)." [] subset: 3_STAR synonym: "anionic phospholipids" RELATED [ChEBI] synonym: "phospholipid anion" RELATED [ChEBI] synonym: "phospholipid anions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:16247 ! phospholipid [Term] id: CHEBI:62732 name: aromatic ester namespace: chebi_ontology def: "An ester where the ester linkage is bonded directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic esters" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:35701 ! ester property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:62733 name: aromatic amide namespace: chebi_ontology def: "An amide in which the amide linkage is bonded directly to an aromatic system." [] subset: 3_STAR synonym: "aromatic amides" RELATED [ChEBI] is_a: CHEBI:32988 ! amide is_a: CHEBI:33659 ! organic aromatic compound [Term] id: CHEBI:62754 name: glycine receptor antagonist namespace: chebi_ontology def: "An antagonist that blocks glycine receptors." [] subset: 3_STAR synonym: "glycine receptor antagonists" RELATED [ChEBI] is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:62761 name: tyrosine derivative namespace: chebi_ontology def: "An amino acid derivative resulting from reaction of tyrosine at the amino group or the carboxy group, any substitution of phenyl hydrogens, or from the replacement of any hydrogen of tyrosine by a heteroatom. The definition normally excludes peptides containing tyrosine residues." [] subset: 3_STAR synonym: "tyrosine derivatives" RELATED [ChEBI] is_a: CHEBI:25985 ! phenylalanine derivative relationship: has_functional_parent CHEBI:18186 ! tyrosine [Term] id: CHEBI:62764 name: reactive nitrogen species namespace: chebi_ontology def: "A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively." [] subset: 3_STAR synonym: "RNI" RELATED [SUBMITTER] synonym: "RNS" RELATED [SUBMITTER] xref: PMID:12076975 {source="SUBMITTER"} xref: PMID:17667957 {source="SUBMITTER"} xref: PMID:9741578 {source="SUBMITTER"} xref: Wikipedia:Reactive_nitrogen_species is_a: CHEBI:51143 ! nitrogen molecular entity [Term] id: CHEBI:62803 name: fuel additive namespace: chebi_ontology def: "Any additive that enhances the efficiency of fuel." [] subset: 3_STAR synonym: "fuel additives" RELATED [ChEBI] synonym: "fuel enhancer" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:62805 name: isooctane namespace: chebi_ontology def: "An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4." [] subset: 3_STAR synonym: "(CH3)2CHCH2C(CH3)3" RELATED [NIST_Chemistry_WebBook] synonym: "2,2,4-trimethylpentane" EXACT IUPAC_NAME [IUPAC] synonym: "iso-octane" RELATED [ChEBI] synonym: "Isobutyltrimethylmethane" RELATED [ChemIDplus] xref: Beilstein:1696876 {source="ChemIDplus"} xref: CAS:540-84-1 {source="ChemIDplus"} xref: CAS:540-84-1 {source="NIST Chemistry WebBook"} xref: PMID:23234386 {source="Europe PMC"} xref: Reaxys:1696876 {source="Reaxys"} xref: Wikipedia:Isooctane is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:18310 ! alkane relationship: has_role CHEBI:48355 ! non-polar solvent relationship: has_role CHEBI:61015 ! nephrotoxin relationship: has_role CHEBI:62803 ! fuel additive property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NHTMVDHEPJAVLT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.22850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.14085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(C)(C)C" xsd:string [Term] id: CHEBI:62837 name: 1-oleoyl-sn-glycerol 3-phosphate namespace: chebi_ontology def: "A 1-acyl-sn-glycerol 3-phosphate having oleoyl as the 1-O-acyl group." [] subset: 3_STAR synonym: "(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z)-octadec-9-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "1-(9Z-octadecenoyl)-sn-glycero-3-phosphate" RELATED [LIPID_MAPS] synonym: "1-O-oleoyl-sn-glycerol 3-phosphate" RELATED [ChEBI] synonym: "1-O-oleyl-sn-glycerol 3-phosphate" RELATED [ChEBI] synonym: "1-oleoyl lysophosphatidic acid" RELATED [HMDB] synonym: "1-oleoyl-2-lyso-sn-glycerol 3-phosphatidic acid" RELATED [ChEBI] synonym: "1-Oleoyl-sn-glycero-3-phosphate" RELATED [LIPID_MAPS] synonym: "1-oleoylglycerol 3-phosphate" RELATED [ChEBI] synonym: "1-oleyl-2-lyso-sn-glycerol 3-phosphatidic acid" RELATED [ChEBI] synonym: "1-oleyl-sn-glycerol 3-phosphate" RELATED [ChEBI] synonym: "1-oleylglycerol 3-phosphate" RELATED [ChEBI] synonym: "1-oleyllysophosphatidic acid" RELATED [HMDB] synonym: "18:1 LPA" RELATED [ChEBI] synonym: "LPA 18:1" RELATED [ChEBI] synonym: "LPA(18:1(9Z)/0:0)" RELATED [HMDB] synonym: "LPA(18:1)" RELATED [HMDB] synonym: "LPA(18:1/0:0)" RELATED [HMDB] synonym: "LPA(18:1n9/0:0)" RELATED [HMDB] synonym: "LPA(18:1w9/0:0)" RELATED [HMDB] synonym: "LysoPA(18:1(9Z)/0:0)" RELATED [HMDB] synonym: "LysoPA(18:1)" RELATED [HMDB] synonym: "LysoPA(18:1w9/0:0)" RELATED [HMDB] synonym: "Lysophosphatidic acid(18:1)" RELATED [HMDB] synonym: "Lysophosphatidic acid(18:1/0:0)" RELATED [HMDB] synonym: "Lysophosphatidic acid(18:1n9/0:0)" RELATED [HMDB] synonym: "Lysophosphatidic acid(18:1w9/0:0)" RELATED [HMDB] synonym: "Monooleylphosphatidic acid" RELATED [HMDB] synonym: "PA(18:1/0:0)" RELATED [LIPID_MAPS] xref: HMDB:HMDB0007855 xref: LIPID_MAPS_instance:LMGP10050008 {source="LIPID MAPS"} xref: PMID:10779388 {source="Europe PMC"} xref: PMID:16651401 {source="Europe PMC"} xref: PMID:17887800 {source="Europe PMC"} xref: PMID:18006645 {source="Europe PMC"} xref: PMID:20005724 {source="Europe PMC"} xref: PMID:20118541 {source="Europe PMC"} xref: PMID:21392506 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:9855625 {source="Europe PMC"} xref: Reaxys:8172316 {source="Reaxys"} is_a: CHEBI:16975 ! 1-acyl-sn-glycerol 3-phosphate relationship: is_conjugate_acid_of CHEBI:74544 ! 1-oleoyl-sn-glycero-3-phosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H41O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WRGQSWVCFNIUNZ-GDCKJWNLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "436.51980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "436.25899" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O" xsd:string [Term] id: CHEBI:62868 name: hepatoprotective agent namespace: chebi_ontology def: "Any compound that is able to prevent damage to the liver." [] subset: 3_STAR synonym: "antihepatotoxic agent" RELATED [ChEBI] synonym: "hepatoprotective agents" RELATED [ChEBI] synonym: "hepatoprotector" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:62872 name: EC 1.2.3.1 (aldehyde oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor which interferes with the action of aldehyde oxidase (EC 1.2.3.1)." [] subset: 3_STAR synonym: "aldehyde oxidase (EC 1.2.3.1) inhibitor" RELATED [ChEBI] synonym: "aldehyde oxidase (EC 1.2.3.1) inhibitors" RELATED [ChEBI] synonym: "aldehyde oxidase inhibitor" RELATED [ChEBI] synonym: "aldehyde oxidase inhibitors" RELATED [ChEBI] synonym: "aldehyde:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "aldehyde:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.2.3.1 (aldehyde oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.2.3.1 inhibitors" RELATED [ChEBI] synonym: "quinoline oxidase inhibitor" RELATED [ChEBI] synonym: "quinoline oxidase inhibitors" RELATED [ChEBI] synonym: "retinal oxidase inhibitor" RELATED [ChEBI] synonym: "retinal oxidase inhibitors" RELATED [ChEBI] synonym: "retinoic acid synthase inhibitor" RELATED [ChEBI] synonym: "retinoic acid synthase inhibitors" RELATED [ChEBI] xref: Wikipedia:Aldehyde_oxidase is_a: CHEBI:76853 ! EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor [Term] id: CHEBI:62889 name: organic diphosphate namespace: chebi_ontology def: "An organic phosphate ester formed by condensation of diphosphoric acid with one or more alcohols." [] subset: 3_STAR synonym: "organic diphosphates" RELATED [ChEBI] synonym: "organic pyrophosphate" RELATED [ChEBI] synonym: "organic pyrophosphates" RELATED [ChEBI] is_a: CHEBI:25703 ! organic phosphate [Term] id: CHEBI:62913 name: EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD(+) ADP-ribosyltransferase (EC 2.4.2.30)." [] subset: 3_STAR synonym: "ADP-ribosyltransferase (polymerising) inhibitor" RELATED [ChEBI] synonym: "ADP-ribosyltransferase (polymerising) inhibitors" RELATED [ChEBI] synonym: "ADP-ribosyltransferase (polymerizing) inhibitor" RELATED [ChEBI] synonym: "ADP-ribosyltransferase (polymerizing) inhibitors" RELATED [ChEBI] synonym: "EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.4.2.30 inhibitor" RELATED [ChEBI] synonym: "EC 2.4.2.30 inhibitors" RELATED [ChEBI] synonym: "NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitor" RELATED [ChEBI] synonym: "NAD(+) ADP-ribosyltransferase (EC 2.4.2.30) inhibitors" RELATED [ChEBI] synonym: "NAD(+) ADP-ribosyltransferase inhibitor" RELATED [ChEBI] synonym: "NAD(+) ADP-ribosyltransferase inhibitors" RELATED [ChEBI] synonym: "NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor" RELATED [ChEBI] synonym: "NAD(+):poly(adenosine-diphosphate-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors" RELATED [ChEBI] synonym: "NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitor" RELATED [ChEBI] synonym: "NAD(+):poly(ADP-D-ribosyl)-acceptor ADP-D-ribosyl-transferase inhibitors" RELATED [ChEBI] synonym: "PARP" RELATED [ChEBI] synonym: "PARPs" RELATED [ChEBI] synonym: "poly(adenosine diphosphate ribose) polymerase inhibitor" RELATED [ChEBI] synonym: "poly(adenosine diphosphate ribose) polymerase inhibitors" RELATED [ChEBI] synonym: "poly(ADP-ribose) polymerase inhibitor" RELATED [ChEBI] synonym: "poly(ADP-ribose) polymerase inhibitors" RELATED [ChEBI] synonym: "poly(ADP-ribose) synthase inhibitor" RELATED [ChEBI] synonym: "poly(ADP-ribose) synthase inhibitors" RELATED [ChEBI] synonym: "poly(ADP-ribose) synthetase inhibitor" RELATED [ChEBI] synonym: "poly(ADP-ribose) synthetase inhibitors" RELATED [ChEBI] xref: Wikipedia:PARP_inhibitor is_a: CHEBI:76790 ! EC 2.4.2.* (pentosyltransferase) inhibitor [Term] id: CHEBI:62920 name: icosatetraenoate namespace: chebi_ontology alt_id: CHEBI:78071 def: "A polyunsaturated fatty acid anion that is the conjugate base of icosatetraenoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3." [] subset: 3_STAR synonym: "eicosatetraenoate" RELATED [ChEBI] synonym: "eicosatetranoates" RELATED [ChEBI] synonym: "eicosatetranoic acid anion" RELATED [ChEBI] synonym: "eicosatetranoic acid anions" RELATED [ChEBI] synonym: "icosatetranoate" RELATED [ChEBI] synonym: "icosatetranoates" RELATED [ChEBI] synonym: "icosatetranoic acid anion" RELATED [ChEBI] synonym: "icosatetranoic acid anions" RELATED [ChEBI] is_a: CHEBI:57560 ! long-chain fatty acid anion is_a: CHEBI:76567 ! polyunsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:36033 ! icosatetraenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H31O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.45894" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.23241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:62932 name: mycophenolate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid." [] subset: 3_STAR synonym: "(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "mycophenolate" EXACT [UniProt] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:168396 ! mycophenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/p-1/b9-4+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPNSFSBZBAHARI-RUDMXATFSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "319.32920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.11871" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c(C)c2COC(=O)c2c(O)c1C\\C=C(/C)CCC([O-])=O" xsd:string [Term] id: CHEBI:62937 name: icosanoid anion namespace: chebi_ontology def: "The carboxylic acid anion that is the conjugate base of an icosanoid, formed when the carboxy group is deprotonated." [] subset: 3_STAR synonym: "eicosanoid anion" RELATED [ChEBI] synonym: "eicosanoid anions" RELATED [ChEBI] synonym: "icosanoid anion" EXACT [ChEBI] synonym: "icosanoid anions" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:23899 ! icosanoid [Term] id: CHEBI:62943 name: prostanoid anion namespace: chebi_ontology def: "An icosanoid anion that is the conjugate base of a prostanoid." [] subset: 3_STAR synonym: "prostanoid anions" RELATED [ChEBI] is_a: CHEBI:2580 ! unsaturated fatty acid anion is_a: CHEBI:62937 ! icosanoid anion relationship: is_conjugate_base_of CHEBI:26347 ! prostanoid [Term] id: CHEBI:62980 name: homoserinate namespace: chebi_ontology def: "An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine." [] subset: 3_STAR synonym: "2-amino-4-hydroxybutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-amino-4-hydroxybutyrate" RELATED [ChEBI] synonym: "homoserine anion" RELATED [ChEBI] synonym: "homoserine(1-)" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:30653 ! homoserine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKAUYVFTDYCKQA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.11120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.05097" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCO)C([O-])=O" xsd:string [Term] id: CHEBI:62995 name: 2-methylpentane-2,4-diol namespace: chebi_ontology def: "A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane)." [] subset: 3_STAR synonym: "1,1,3-trimethyl-1,3-propanediol" RELATED [ChEBI] synonym: "1,1,3-Trimethyltrimethylenediol" RELATED [ChemIDplus] synonym: "1,3,3-trimethyl-1,3-propanediol" RELATED [ChEBI] synonym: "1,3-dimethyl-3-hydroxybutanol" RELATED [ChEBI] synonym: "2,4-Dihydroxy-2-methylpentane" RELATED [ChemIDplus] synonym: "2-Methyl pentane-2,4-diol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Methyl-2,4-pentandiol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Methyl-2,4-pentanediol" RELATED [ChemIDplus] synonym: "2-methylpentane-2,4-diol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Methyl-2,4-pentanediol" RELATED [ChemIDplus] synonym: "alpha,alpha,alpha'-trimethyltrimethylene glycol" RELATED [ChemIDplus] synonym: "Hexylene glycol" RELATED [ChemIDplus] synonym: "MPD" RELATED [SUBMITTER] xref: Beilstein:1098298 {source="ChemIDplus"} xref: CAS:107-41-5 {source="NIST Chemistry WebBook"} xref: CAS:107-41-5 {source="ChemIDplus"} xref: Patent:WO2010048675 xref: PMID:14524450 {source="Europe PMC"} xref: PMID:20185893 {source="Europe PMC"} xref: PMID:2529099 {source="Europe PMC"} xref: PMID:886995 {source="Europe PMC"} xref: PPDB:1315 xref: Reaxys:1098298 {source="Reaxys"} xref: Wikipedia:2-Methyl-2\,4-pentanediol is_a: CHEBI:13643 ! glycol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SVTBMSDMJJWYQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.17420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)CC(C)(C)O" xsd:string [Term] id: CHEBI:63046 name: emulsifier namespace: chebi_ontology def: "The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability." [] subset: 3_STAR synonym: "emulgent" RELATED [ChEBI] synonym: "emulgents" RELATED [ChEBI] synonym: "emulsifiers" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63047 name: food emulsifier namespace: chebi_ontology def: "A food additive used to form or maintain a uniform emulsion of two (or more) phases in a food." [] subset: 3_STAR synonym: "food emulsifiers" RELATED [ChEBI] is_a: CHEBI:63046 ! emulsifier is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:63048 name: 1,3-thiazolium cation namespace: chebi_ontology def: "An organic cation resulting from protonation or quaternisation at the 3-position of any 1,3-thiazole." [] subset: 3_STAR synonym: "1,3-thiazolium cations" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:38418 ! 1,3-thiazoles property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:63056 name: zinc cation namespace: chebi_ontology def: "Any zinc ion that is positively charged." [] subset: 3_STAR synonym: "zinc cations" RELATED [ChEBI] is_a: CHEBI:27365 ! zinc ion is_a: CHEBI:33515 ! transition element cation [Term] id: CHEBI:63062 name: aluminium cation namespace: chebi_ontology def: "An aluminium atom having a positive net electric charge." [] subset: 3_STAR synonym: "Al cation" RELATED [ChEBI] synonym: "Al cations" RELATED [ChEBI] synonym: "aluminium cations" RELATED [ChEBI] is_a: CHEBI:25213 ! metal cation is_a: CHEBI:60272 ! aluminium ion [Term] id: CHEBI:63063 name: cadmium cation namespace: chebi_ontology def: "A transition element cation where the metal is specifed as cadmium." [] subset: 3_STAR synonym: "cadmium cations" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation [Term] id: CHEBI:63070 name: beta-alaninate namespace: chebi_ontology def: "A beta-amino-acid anion that is the conjugate base of beta-alanine." [] subset: 3_STAR synonym: "3-aminopropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "beta-alaninate anion" RELATED [ChEBI] synonym: "beta-alaninate(1-)" RELATED [ChEBI] xref: Reaxys:3536336 {source="Reaxys"} is_a: CHEBI:49095 ! beta-amino-acid anion relationship: has_role CHEBI:78675 ! fundamental metabolite relationship: is_conjugate_base_of CHEBI:16958 ! beta-alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCMIRNVEIXFBKS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.08520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.04040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCC([O-])=O" xsd:string [Term] id: CHEBI:63114 name: sphingosine-1-phosphate receptor agonist namespace: chebi_ontology alt_id: CHEBI:63172 def: "An agonist that binds to and activates sphingosine 1-phosphate receptors." [] subset: 3_STAR synonym: "EDG receptor agonist" RELATED [ChEBI] synonym: "S1P receptor agonist" RELATED [ChEBI] synonym: "S1P receptor agonists" RELATED [ChEBI] synonym: "SIP agonist" RELATED [ChEBI] synonym: "SIP agonists" RELATED [ChEBI] synonym: "sphingosine 1-phosphate receptor agonist" RELATED [ChEBI] synonym: "sphingosine 1-phosphate receptor agonists" RELATED [ChEBI] synonym: "sphingosine-1-phosphate receptor agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:63131 name: EDTA(3-) namespace: chebi_ontology def: "A tetracarboxylic acid anion formed by deprotonation of three of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA)." [] subset: 3_STAR synonym: "2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35754 ! tetracarboxylic acid anion relationship: is_conjugate_acid_of CHEBI:42191 ! EDTA(4-) relationship: is_conjugate_base_of CHEBI:64755 ! EDTA(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCXVZYZYPLLWCC-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "289.21880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.06884" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O" xsd:string [Term] id: CHEBI:63158 name: EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of mitochondrial carnitine O-palmitoyltransferase (EC 2.3.1.21)." [] subset: 3_STAR synonym: "acylcarnitine transferase inhibitor" RELATED [ChEBI] synonym: "acylcarnitine transferase inhibitors" RELATED [ChEBI] synonym: "carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitor" RELATED [ChEBI] synonym: "carnitine O-palmitoyltransferase (EC 2.3.1.21) inhibitors" RELATED [ChEBI] synonym: "carnitine O-palmitoyltransferase inhibitor" RELATED [ChEBI] synonym: "carnitine O-palmitoyltransferase inhibitors" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase II inhibitor" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase II inhibitors" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase inhibitor" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase inhibitors" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase-1 inhibitor" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase-1 inhibitors" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase-A inhibitor" RELATED [ChEBI] synonym: "carnitine palmitoyltransferase-A inhibitors" RELATED [ChEBI] synonym: "CPT I (outer membrane carnitine palmitoyl transferase) inhibitor" RELATED [ChEBI] synonym: "CPT I (outer membrane carnitine palmitoyl transferase) inhibitors" RELATED [ChEBI] synonym: "CPT inhibitor" RELATED [ChEBI] synonym: "CPT inhibitors" RELATED [ChEBI] synonym: "CPT-A inhibitor" RELATED [ChEBI] synonym: "CPT-A inhibitors" RELATED [ChEBI] synonym: "CPT-B inhibitor" RELATED [ChEBI] synonym: "CPT-B inhibitors" RELATED [ChEBI] synonym: "CPTi inhibitor" RELATED [ChEBI] synonym: "CPTi inhibitors" RELATED [ChEBI] synonym: "CPTo inhibitor" RELATED [ChEBI] synonym: "CPTo inhibitors" RELATED [ChEBI] synonym: "CTP-1 inhibitor" RELATED [ChEBI] synonym: "CTP-1 inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.21 inhibitor" RELATED [ChEBI] synonym: "EC 2.3.1.21 inhibitors" RELATED [ChEBI] synonym: "L-carnitine palmitoyltransferase inhibitor" RELATED [ChEBI] synonym: "L-carnitine palmitoyltransferase inhibitors" RELATED [ChEBI] synonym: "mitochondrial carnitine palmitoyltransferase-1 inhibitor" RELATED [ChEBI] synonym: "mitochondrial carnitine palmitoyltransferase-1 inhibitors" RELATED [ChEBI] synonym: "outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitor" RELATED [ChEBI] synonym: "outer malonyl-CoA inhibitable carnitine palmitoyltransferase inhibitors" RELATED [ChEBI] synonym: "palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitor" RELATED [ChEBI] synonym: "palmitoyl-CoA:L-carnitine O-palmitoyltransferase inhibitors" RELATED [ChEBI] synonym: "palmitoylcarnitine transferase inhibitor" RELATED [ChEBI] synonym: "palmitoylcarnitine transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor [Term] id: CHEBI:63161 name: glycosyl compound namespace: chebi_ontology def: "A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity." [] subset: 3_STAR synonym: "glycosyl compounds" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:63165 name: ribonucleoside monophosphate oxoanion namespace: chebi_ontology def: "An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate." [] subset: 3_STAR synonym: "ribonucleoside monophosphate oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:26558 ! ribonucleoside monophosphate [Term] id: CHEBI:63171 name: mononitrotoluene namespace: chebi_ontology def: "A nitrotoluene bearing a single nitro substituent at any position. A \"closed class\"." [] subset: 3_STAR synonym: "mononitrotoluenes" RELATED [ChEBI] xref: Wikipedia:Mononitrotoluene is_a: CHEBI:25566 ! nitrotoluene [Term] id: CHEBI:63173 name: T-cell proliferation inhibitor namespace: chebi_ontology def: "An inhibitor that interferes with the process of T-cell proliferation." [] subset: 3_STAR synonym: "T-cell proliferation inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:63247 name: reducing agent namespace: chebi_ontology def: "The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species." [] subset: 3_STAR synonym: "reducer" RELATED [ChEBI] synonym: "reducers" RELATED [ChEBI] synonym: "reducing agents" RELATED [ChEBI] synonym: "reductant" RELATED [ChEBI] synonym: "reductants" RELATED [ChEBI] xref: Wikipedia:Reducing_agent is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63248 name: oxidising agent namespace: chebi_ontology def: "A substance that removes electrons from another reactant in a redox reaction." [] subset: 3_STAR synonym: "oxidant" RELATED [ChEBI] synonym: "oxidants" RELATED [ChEBI] synonym: "oxidiser" RELATED [ChEBI] synonym: "oxidisers" RELATED [ChEBI] synonym: "oxidising agents" RELATED [ChEBI] synonym: "oxidizer" RELATED [ChEBI] synonym: "oxidizers" RELATED [ChEBI] synonym: "oxidizing agent" RELATED [ChEBI] synonym: "oxidizing agents" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63299 name: carbohydrate derivative namespace: chebi_ontology def: "Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds." [] subset: 3_STAR synonym: "carbohydrate derivatives" RELATED [ChEBI] synonym: "derivatised carbohydrate" RELATED [ChEBI] synonym: "derivatised carbohydrates" RELATED [ChEBI] synonym: "derivatized carbohydrate" RELATED [ChEBI] synonym: "derivatized carbohydrates" RELATED [ChEBI] is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives relationship: has_functional_parent CHEBI:16646 ! carbohydrate property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:63317 name: barium chloride namespace: chebi_ontology def: "The inorganic dichloride salt of barium." [] subset: 3_STAR synonym: "BaCl2" RELATED [MetaCyc] synonym: "barium dichloride" EXACT IUPAC_NAME [IUPAC] xref: CAS:10361-37-2 {source="ChemIDplus"} xref: CAS:10361-37-2 {source="NIST Chemistry WebBook"} xref: MetaCyc:CPD0-1592 xref: PMID:21601246 {source="Europe PMC"} xref: Reaxys:1209229 {source="Reaxys"} xref: Reaxys:8128158 {source="Reaxys"} xref: Wikipedia:Barium_chloride is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:63320 ! barium salt relationship: has_role CHEBI:50509 ! potassium channel blocker property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BaCl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WDIHJSXYQDMJHN-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "208.23300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.84295" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ba++]" xsd:string [Term] id: CHEBI:63320 name: barium salt namespace: chebi_ontology def: "An alkaline earth salt that has barium(2+) as the cation." [] subset: 3_STAR synonym: "barium salts" RELATED [ChEBI] is_a: CHEBI:36364 ! alkaline earth salt is_a: CHEBI:37133 ! barium molecular entity [Term] id: CHEBI:63332 name: EC 3.1.3.1 (alkaline phosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1)." [] subset: 3_STAR synonym: "alkaline phenyl phosphatase inhibitor" RELATED [ChEBI] synonym: "alkaline phenyl phosphatase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphatase (EC 3.1.3.1) inhibitor" RELATED [ChEBI] synonym: "alkaline phosphatase (EC 3.1.3.1) inhibitors" RELATED [ChEBI] synonym: "alkaline phosphatase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphatase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "alkaline phosphomonoesterase inhibitor" RELATED [ChEBI] synonym: "alkaline phosphomonoesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.1 (alkaline phosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.1 inhibitors" RELATED [ChEBI] synonym: "glycerophosphatase inhibitor" RELATED [ChEBI] synonym: "glycerophosphatase inhibitors" RELATED [ChEBI] synonym: "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor" RELATED [ChEBI] synonym: "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors" RELATED [ChEBI] synonym: "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor" RELATED [ChEBI] synonym: "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors" RELATED [ChEBI] synonym: "phosphomonoesterase inhibitor" RELATED [ChEBI] synonym: "phosphomonoesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Alkaline_phosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:63353 name: disaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a disaccharide." [] subset: 3_STAR synonym: "disaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:36233 ! disaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:63367 name: monosaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from a monosaccharide." [] subset: 3_STAR synonym: "monosaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:35381 ! monosaccharide [Term] id: CHEBI:63409 name: pentose derivative namespace: chebi_ontology def: "A monosaccharide derivative that is formally obtained from a pentose." [] subset: 3_STAR synonym: "pentose derivatives" RELATED [ChEBI] is_a: CHEBI:63367 ! monosaccharide derivative relationship: has_functional_parent CHEBI:25901 ! pentose [Term] id: CHEBI:63423 name: alditol derivative namespace: chebi_ontology def: "A carbohydrate derivative that is formally obtained from an alditol." [] subset: 3_STAR synonym: "alditol derivatives" RELATED [ChEBI] is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:17522 ! alditol [Term] id: CHEBI:63470 name: sulfur-containing amino-acid anion namespace: chebi_ontology def: "A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated)." [] subset: 3_STAR synonym: "sulfur-containing amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:26834 ! sulfur-containing amino acid [Term] id: CHEBI:63471 name: branched-chain amino-acid anion namespace: chebi_ontology def: "A branched-chain amino acid whose alpha-carboxylic acid group is ionized." [] subset: 3_STAR synonym: "branched-chain amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:22918 ! branched-chain amino acid [Term] id: CHEBI:63473 name: aromatic amino-acid anion namespace: chebi_ontology def: "An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated)." [] subset: 3_STAR synonym: "aromatic amino-acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33856 ! aromatic amino acid [Term] id: CHEBI:63477 name: iodothyroninate namespace: chebi_ontology def: "An iodothyronine whose alpha carboxylic acid group of the tyrosine is ionized (not protonated)." [] subset: 3_STAR synonym: "iodothyroninates" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:24864 ! iodothyronine [Term] id: CHEBI:63490 name: explosive namespace: chebi_ontology def: "A substance capable of undergoing rapid and highly exothermic decomposition." [] subset: 3_STAR synonym: "explosive compound" RELATED [ChEBI] synonym: "explosive compounds" RELATED [ChEBI] synonym: "explosive material" RELATED [ChEBI] synonym: "explosives" RELATED [ChEBI] synonym: "explosives chemical" RELATED [ChEBI] synonym: "explosives chemicals" RELATED [ChEBI] xref: Wikipedia:Explosive_material is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:63526 name: platinum cation namespace: chebi_ontology def: "A transition element cation that is a form of platinum having had electrons removed resulting in the 2+, 3+, or 4+ cation." [] subset: 3_STAR synonym: "platinum cations" RELATED [ChEBI] synonym: "Pt(n+)" RELATED [ChEBI] is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:49202 ! elemental platinum [Term] id: CHEBI:63534 name: monoamine namespace: chebi_ontology def: "An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes." [] subset: 3_STAR synonym: "monoamines" RELATED [ChEBI] synonym: "naturally occurring monoamine" RELATED [ChEBI] synonym: "naturally occurring monoamines" RELATED [ChEBI] xref: PMID:21822758 {source="Europe PMC"} xref: PMID:21993877 {source="Europe PMC"} xref: PMID:22005599 {source="Europe PMC"} xref: PMID:22082101 {source="Europe PMC"} xref: PMID:22153577 {source="Europe PMC"} xref: PMID:22213370 {source="Europe PMC"} xref: PMID:22218931 {source="Europe PMC"} xref: PMID:22342987 {source="Europe PMC"} xref: PMID:22371656 {source="Europe PMC"} is_a: CHEBI:64365 ! aralkylamino compound [Term] id: CHEBI:63578 name: iopromide namespace: chebi_ontology alt_id: CHEBI:31712 def: "A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration." [] subset: 3_STAR synonym: "iopromida" RELATED INN [ChemIDplus] synonym: "iopromide" RELATED INN [KEGG_DRUG] synonym: "iopromidum" RELATED INN [ChemIDplus] synonym: "N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide" RELATED [ChemIDplus] synonym: "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methylisophthalamide" EXACT IUPAC_NAME [IUPAC] synonym: "Ultravist" RELATED BRAND_NAME [KEGG_DRUG] xref: Beilstein:7085608 {source="ChemIDplus"} xref: CAS:73334-07-3 {source="ChemIDplus"} xref: Drug_Central:1468 {source="DrugCentral"} xref: HMDB:HMDB0041910 xref: KEGG:D01893 xref: LINCS:LSM-5134 xref: Patent:DE2909439 xref: Patent:US4364921 xref: PMID:20412314 {source="Europe PMC"} xref: PMID:20890877 {source="Europe PMC"} xref: PMID:20921088 {source="Europe PMC"} xref: PMID:21039317 {source="Europe PMC"} xref: PMID:21141818 {source="Europe PMC"} xref: PMID:21159465 {source="Europe PMC"} xref: PMID:21529272 {source="Europe PMC"} xref: PMID:21545991 {source="Europe PMC"} xref: PMID:21623210 {source="Europe PMC"} xref: PMID:21877755 {source="Europe PMC"} xref: PMID:21943940 {source="Europe PMC"} xref: PMID:22028567 {source="Europe PMC"} xref: PMID:22178894 {source="Europe PMC"} xref: Reaxys:7085608 {source="Reaxys"} xref: Wikipedia:Iopromide is_a: CHEBI:35779 ! dicarboxylic acid diamide is_a: CHEBI:37142 ! organoiodine compound relationship: has_functional_parent CHEBI:17754 ! glycerol relationship: has_functional_parent CHEBI:38801 ! isophthalamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:50909 ! nephrotoxic agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24I3N3O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DGAIEPBNLOQYER-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "791.11190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "790.86975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I" xsd:string [Term] id: CHEBI:63580 name: ribavirin namespace: chebi_ontology alt_id: CHEBI:8840 def: "A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad spectrum of activity against DNA and RNA viruses." [] subset: 3_STAR synonym: "1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide" RELATED [ChemIDplus] synonym: "1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide" RELATED [ChemIDplus] synonym: "RBV" RELATED [DrugBank] synonym: "ribavirin" RELATED INN [KEGG_DRUG] synonym: "ribavirina" RELATED INN [DrugBank] synonym: "ribavirine" RELATED INN [DrugBank] synonym: "ribavirinum" RELATED INN [DrugBank] xref: Beilstein:892462 {source="ChemIDplus"} xref: CAS:36791-04-5 {source="ChemIDplus"} xref: CAS:36791-04-5 {source="KEGG DRUG"} xref: Drug_Central:2373 {source="DrugCentral"} xref: DrugBank:DB00811 xref: KEGG:D00423 xref: LINCS:LSM-5701 xref: PMID:21827730 {source="Europe PMC"} xref: PMID:22052088 {source="Europe PMC"} xref: PMID:22052220 {source="Europe PMC"} xref: PMID:22156853 {source="Europe PMC"} xref: PMID:22158703 {source="Europe PMC"} xref: PMID:22212566 {source="Europe PMC"} xref: PMID:22212568 {source="Europe PMC"} xref: PMID:22212569 {source="Europe PMC"} xref: PMID:22212572 {source="Europe PMC"} xref: PMID:22212576 {source="Europe PMC"} xref: PMID:22212579 {source="Europe PMC"} xref: PMID:22220723 {source="Europe PMC"} xref: PMID:22239498 {source="Europe PMC"} xref: PMID:22239511 {source="Europe PMC"} xref: PMID:29438107 {source="Europe PMC"} xref: Reaxys:892462 {source="Reaxys"} xref: Wikipedia:Ribavirin is_a: CHEBI:140324 ! primary carboxamide is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:62733 ! aromatic amide is_a: CHEBI:63594 ! 1-ribosyltriazole relationship: has_functional_parent CHEBI:180482 ! 1,2,4-triazole-3-carboxamide relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:35221 ! antimetabolite relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:59897 ! EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N4O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IWUCXVSUMQZMFG-AFCXAGJDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.20470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.08077" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:63593 name: 1-glycosyltriazole namespace: chebi_ontology def: "An N-glycosyl compound that consists of any triazole having a glycosyl residue attached at position 1." [] subset: 3_STAR synonym: "1-glycosyltriazoles" RELATED [ChEBI] is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:35727 ! triazoles [Term] id: CHEBI:63594 name: 1-ribosyltriazole namespace: chebi_ontology def: "A 1-glycosyltriazole in which the glycosyl residue is specified as ribosyl." [] subset: 3_STAR synonym: "1-ribosyltriazoles" RELATED [ChEBI] is_a: CHEBI:63593 ! 1-glycosyltriazole [Term] id: CHEBI:63618 name: pravastatin namespace: chebi_ontology alt_id: CHEBI:8360 def: "A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin." [] subset: 3_STAR synonym: "(+)-(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(S)-2-methylbutyryl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthyl]heptanoic acid" RELATED [ChEBI] synonym: "(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pravastatin" RELATED INN [ChemIDplus] synonym: "pravastatin acid" RELATED [ChEBI] synonym: "pravastatina" RELATED INN [ChemIDplus] synonym: "pravastatine" RELATED INN [ChemIDplus] synonym: "pravastatinum" RELATED INN [ChemIDplus] xref: CAS:81093-37-0 {source="KEGG COMPOUND"} xref: CAS:81093-37-0 {source="ChemIDplus"} xref: Drug_Central:2239 {source="DrugCentral"} xref: DrugBank:DB00175 xref: HMDB:HMDB0005022 xref: KEGG:C01844 xref: KEGG:D08410 xref: KNApSAcK:C00000565 xref: LINCS:LSM-3347 xref: PMID:21749370 {source="Europe PMC"} xref: PMID:21851379 {source="Europe PMC"} xref: PMID:25264019 {source="Europe PMC"} xref: Reaxys:4825538 {source="Reaxys"} xref: Wikipedia:Pravastatin is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:35868 ! hydroxy monocarboxylic acid is_a: CHEBI:36785 ! carbobicyclic compound is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid is_a: CHEBI:87633 ! statin (semi-synthetic) relationship: has_functional_parent CHEBI:38655 ! (S)-2-methylbutyric acid relationship: has_functional_parent CHEBI:63655 ! (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:63660 ! pravastatin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H36O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TUZYXOIXSAXUGO-PZAWKZKUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "424.52770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "424.24610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC" xsd:string [Term] id: CHEBI:63622 name: sotalol namespace: chebi_ontology alt_id: CHEBI:9206 def: "A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias." [] subset: 3_STAR synonym: "4'-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide" RELATED [ChemIDplus] synonym: "beta-cardone" RELATED [ChemIDplus] synonym: "N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "Sotalol" EXACT [KEGG_COMPOUND] synonym: "sotalol" RELATED INN [ChemIDplus] synonym: "sotalolum" RELATED INN [ChemIDplus] xref: CAS:3930-20-9 {source="KEGG COMPOUND"} xref: CAS:3930-20-9 {source="ChemIDplus"} xref: Drug_Central:2464 {source="DrugCentral"} xref: DrugBank:DB00489 xref: HMDB:HMDB0014632 xref: KEGG:C07309 xref: KEGG:D08525 xref: LINCS:LSM-1465 xref: PMID:20562595 {source="Europe PMC"} xref: PMID:21553267 {source="Europe PMC"} xref: PMID:21854895 {source="Europe PMC"} xref: Reaxys:2380820 {source="Reaxys"} xref: Wikipedia:Sotalol is_a: CHEBI:23981 ! ethanolamines is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:63647 ! sotalol(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H20N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBMZVLHSJCTVON-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.36400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.11946" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1" xsd:string [Term] id: CHEBI:63647 name: sotalol(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the nitrogen of the secondary amino group of sotalol." [] subset: 3_STAR synonym: "N-(2-hydroxy-2-{4-[(methylsulfonyl)amino]phenyl}ethyl)propan-2-aminium" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:6417063 {source="Reaxys"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:63622 ! sotalol property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H21N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBMZVLHSJCTVON-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.37200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.12674" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[NH2+]CC(O)c1ccc(NS(C)(=O)=O)cc1" xsd:string [Term] id: CHEBI:63655 name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid namespace: chebi_ontology def: "A 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group." [] subset: 3_STAR synonym: "(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:134396 ! secondary allylic alcohol is_a: CHEBI:142348 ! hexahydronaphthalenes is_a: CHEBI:61355 ! 3-hydroxy carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28O6/c1-10-2-3-11-6-13(20)8-16(22)18(11)15(10)5-4-12(19)7-14(21)9-17(23)24/h2-3,6,10,12-16,18-22H,4-5,7-9H2,1H3,(H,23,24)/t10-,12+,13+,14+,15-,16-,18-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDADMCPDUNEBIX-CGDZNSRRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "340.41130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.18859" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@@H](O)C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O" xsd:string [Term] id: CHEBI:63660 name: pravastatin(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxylic acid group of pravastatin." [] subset: 3_STAR synonym: "(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pravastatin" RELATED [UniProt] is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:63618 ! pravastatin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H35O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/p-1/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TUZYXOIXSAXUGO-PZAWKZKUSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "423.51980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "423.23883" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC" xsd:string [Term] id: CHEBI:6367 name: lamotrigine namespace: chebi_ontology def: "A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6." [] subset: 3_STAR synonym: "3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine" RELATED [ChemIDplus] synonym: "6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "Lamictal" RELATED BRAND_NAME [KEGG_DRUG] synonym: "lamotrigina" RELATED INN [ChemIDplus] synonym: "lamotrigine" RELATED INN [ChemIDplus] synonym: "lamotriginum" RELATED INN [ChemIDplus] xref: CAS:84057-84-1 {source="ChemIDplus"} xref: CAS:84057-84-1 {source="NIST Chemistry WebBook"} xref: CAS:84057-84-1 {source="KEGG DRUG"} xref: Drug_Central:1540 {source="DrugCentral"} xref: DrugBank:DB00555 xref: HMDB:HMDB0014695 xref: KEGG:D00354 xref: LINCS:LSM-4104 xref: PMID:19430925 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:21242744 {source="Europe PMC"} xref: Reaxys:7589268 {source="Reaxys"} xref: Wikipedia:Lamotrigine is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:39410 ! 1,2,4-triazines is_a: CHEBI:50471 ! primary arylamine relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35477 ! antimanic drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:60798 ! excitatory amino acid antagonist relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7Cl2N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PYZRQGJRPPTADH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.09100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.00785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl" xsd:string [Term] id: CHEBI:63677 name: erythromycin D(1+) namespace: chebi_ontology def: "An erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3." [] subset: 3_STAR synonym: "erythromycin D" RELATED [UniProt] synonym: "erythromycin D(+1)" RELATED [ChEBI] is_a: CHEBI:64290 ! erythromycin cation relationship: is_conjugate_acid_of CHEBI:28331 ! erythromycin D property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H66NO12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CLQUUOKNEOQBSW-KEGKUKQHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "704.90870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "704.45795" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C" xsd:string [Term] id: CHEBI:63726 name: neuroprotective agent namespace: chebi_ontology def: "Any compound that can be used for the treatment of neurodegenerative disorders." [] subset: 3_STAR synonym: "neuroprotectant" RELATED [ChEBI] synonym: "neuroprotectants" RELATED [ChEBI] synonym: "neuroprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:63732 name: 1,1-diol namespace: chebi_ontology def: "Any alcohol in which two hydroxy groups are bonded to the same atom." [] subset: 3_STAR synonym: "1,1-diols" RELATED [ChEBI] synonym: "gem-diol" RELATED [ChEBI] synonym: "gem-diols" RELATED [ChEBI] synonym: "geminal diol" RELATED [ChEBI] synonym: "geminal diols" RELATED [ChEBI] is_a: CHEBI:30879 ! alcohol [Term] id: CHEBI:63733 name: aldehyde hydrate namespace: chebi_ontology def: "A 1,1-diol resulting from the formal addition of water to the carbonyl group of a aldehyde." [] subset: 3_STAR synonym: "aldehyde hydrates" RELATED [ChEBI] is_a: CHEBI:63732 ! 1,1-diol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.033" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(O)(O)[*]" xsd:string [Term] id: CHEBI:63794 name: retinoid X receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a retinoid X receptor." [] subset: 3_STAR synonym: "retinoid X receptor agonists" RELATED [ChEBI] xref: Wikipedia:Retinoid_X_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:63894 name: pivalate namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid." [] subset: 3_STAR synonym: "2,2-dimethylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-dimethylpropionate" RELATED [ChEBI] synonym: "alpha,alpha-dimethylpropanoate" RELATED [ChEBI] synonym: "alpha,alpha-dimethylpropionate" RELATED [ChEBI] synonym: "neopentanoate" RELATED [ChEBI] synonym: "trimethylacetate" RELATED [ChEBI] xref: Reaxys:3601483 {source="Reaxys"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:45133 ! pivalic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUGYQRQAERSCNH-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C([O-])=O" xsd:string [Term] id: CHEBI:63921 name: 2-butoxyethanol namespace: chebi_ontology def: "A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions." [] subset: 3_STAR synonym: "2-butoxyethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-hydroxyethyl n-butyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "3-oxa-1-heptanol" RELATED [ChemIDplus] synonym: "BuOCH2CH2OH" RELATED [ChEBI] synonym: "butoxyethanol" RELATED [ChemIDplus] synonym: "butyl cellosolve" RELATED [ChemIDplus] synonym: "butyl glycol" RELATED [NIST_Chemistry_WebBook] synonym: "butyl oxitol" RELATED [ChemIDplus] synonym: "ethylene glycol butyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "ethylene glycol mono-n-butyl ether" RELATED [ChemIDplus] synonym: "ethylene glycol monobutyl ether" RELATED [ChEBI] synonym: "glycol butyl ether" RELATED [ChemIDplus] synonym: "n-butoxyethanol" RELATED [ChemIDplus] synonym: "O-butyl ethylene glycol" RELATED [ChemIDplus] xref: CAS:111-76-2 {source="KEGG COMPOUND"} xref: CAS:111-76-2 {source="ChemIDplus"} xref: CAS:111-76-2 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0031327 xref: KEGG:C19355 xref: Patent:US2448767 xref: PMID:15371241 {source="Europe PMC"} xref: PMID:15705494 {source="Europe PMC"} xref: PMID:22330932 {source="Europe PMC"} xref: PMID:9372852 {source="Europe PMC"} xref: PPDB:1364 xref: Reaxys:1732511 {source="Reaxys"} xref: Wikipedia:2-Butoxyethanol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:172390 ! glycol ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "POAOYUHQDCAZBD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.17420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOCCO" xsd:string [Term] id: CHEBI:63933 name: Aroclor 1254 namespace: chebi_ontology def: "A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H)." [] subset: 3_STAR synonym: "Chlorierte biphenyle, chlorgehalt 54%" RELATED [ChemIDplus] synonym: "Chlorodiphenyl (54% Chlorine)" RELATED [ChemIDplus] synonym: "Diphenyle chlore, 54% de chlore" RELATED [ChemIDplus] synonym: "Polychlorobiphenyls (54% chlorine)" RELATED [ChemIDplus] xref: CAS:11097-69-1 {source="ChemIDplus"} xref: PMID:19486918 {source="Europe PMC"} xref: PMID:19772856 {source="Europe PMC"} xref: PMID:19945719 {source="Europe PMC"} xref: PMID:21476350 {source="Europe PMC"} xref: PMID:21613298 {source="Europe PMC"} xref: PMID:21664404 {source="Europe PMC"} xref: PMID:21748531 {source="Europe PMC"} xref: PMID:21856390 {source="Europe PMC"} xref: PMID:21937113 {source="Europe PMC"} xref: PMID:22013134 {source="Europe PMC"} xref: PMID:22044768 {source="Europe PMC"} xref: PMID:22082211 {source="Europe PMC"} xref: PMID:22094459 {source="Europe PMC"} xref: PMID:22298839 {source="Europe PMC"} xref: Reaxys:8188376 {source="Reaxys"} is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:53156 ! polychlorobiphenyl relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12X10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.12840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*c1c(*)c(*)c(c(*)c1*)-c1c(*)c(*)c(*)c(*)c1*" xsd:string [Term] id: CHEBI:63944 name: macrocyclic lactone namespace: chebi_ontology alt_id: CHEBI:50333 def: "Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule." [] subset: 3_STAR synonym: "macrocyclic lactones" RELATED [ChEBI] is_a: CHEBI:25000 ! lactone is_a: CHEBI:51026 ! macrocycle [Term] id: CHEBI:63954 name: ionomycin namespace: chebi_ontology def: "A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes." [] subset: 3_STAR synonym: "(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:56092-81-0 {source="ChemIDplus"} xref: Patent:US3873693 xref: PMID:19079959 {source="Europe PMC"} xref: PMID:19496091 {source="Europe PMC"} xref: Reaxys:3642126 {source="Reaxys"} is_a: CHEBI:26208 ! polyunsaturated fatty acid is_a: CHEBI:27283 ! very long-chain fatty acid is_a: CHEBI:33823 ! enol is_a: CHEBI:37407 ! cyclic ether relationship: has_role CHEBI:22986 ! calcium ionophore relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C41H72O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGHMRUGBZOYCAA-ADZNBVRBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "709.00500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "708.51763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CC[C@](C)(O1)[C@@]1([H])CC[C@](C)(O1)[C@@H](C)O)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\\C=C\\C[C@@H](C)C[C@@H](C)C(\\O)=C\\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O" xsd:string [Term] id: CHEBI:63958 name: cellulose synthesis inhibitor namespace: chebi_ontology def: "An pathway inhibitor that inhibits the synthesis of cellulose." [] subset: 3_STAR synonym: "cellulose biosynthesis inhibitor" RELATED [ChEBI] synonym: "cellulose biosynthesis inhibitors" RELATED [ChEBI] synonym: "cellulose synthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:76932 ! pathway inhibitor [Term] id: CHEBI:63962 name: Hsp90 inhibitor namespace: chebi_ontology def: "An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90." [] subset: 3_STAR synonym: "heat shock protein 90 inhibitor" RELATED [ChEBI] synonym: "heat shock protein 90 inhibitors" RELATED [ChEBI] synonym: "Hsp90 inhibitors" RELATED [ChEBI] xref: PMID:19860732 {source="Europe PMC"} xref: PMID:19946660 {source="Europe PMC"} xref: PMID:22035754 {source="Europe PMC"} xref: PMID:22920907 {source="Europe PMC"} xref: PMID:22959035 {source="Europe PMC"} xref: PMID:23160336 {source="Europe PMC"} xref: PMID:23312026 {source="Europe PMC"} xref: Wikipedia:Hsp90_inhibitors is_a: CHEBI:76939 ! EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor [Term] id: CHEBI:64009 name: hydroperoxy fatty acid namespace: chebi_ontology def: "Any fatty acid carrying one or more hydroperoxy substituents." [] subset: 3_STAR synonym: "hydroperoxy fatty acids" RELATED [ChEBI] is_a: CHEBI:35366 ! fatty acid is_a: CHEBI:61051 ! lipid hydroperoxide relationship: is_conjugate_acid_of CHEBI:64012 ! hydroperoxy fatty acid anion [Term] id: CHEBI:64012 name: hydroperoxy fatty acid anion namespace: chebi_ontology def: "A fatty acid anion that is the conjugate base of any hydroperoxy fatty acid, formed by deprotonation of the carboxylic acid moiety." [] subset: 3_STAR synonym: "hydroperoxy fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:64009 ! hydroperoxy fatty acid [Term] id: CHEBI:64018 name: protein kinase C agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a protein kinase C receptor" [] subset: 3_STAR synonym: "protein kinase C agonists" RELATED [ChEBI] is_a: CHEBI:64106 ! protein kinase agonist [Term] id: CHEBI:64045 name: amisulpride namespace: chebi_ontology def: "A member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects." [] subset: 3_STAR synonym: "4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide" RELATED [ChemIDplus] synonym: "4-Amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-o-anisamide" RELATED [ChemIDplus] synonym: "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Aminosultopride" RELATED [DrugBank] synonym: "amisulprida" RELATED INN [ChemIDplus] synonym: "amisulpride" RELATED INN [KEGG_DRUG] synonym: "amisulpridum" RELATED INN [ChemIDplus] xref: CAS:71675-85-9 {source="ChemIDplus"} xref: Drug_Central:179 {source="DrugCentral"} xref: DrugBank:DB06288 xref: HMDB:HMDB0015633 xref: KEGG:D07310 xref: LINCS:LSM-1669 xref: Patent:BE872585 xref: Patent:US4401822 xref: PMID:21176108 {source="Europe PMC"} xref: PMID:21647545 {source="Europe PMC"} xref: PMID:21663752 {source="Europe PMC"} xref: PMID:21746752 {source="Europe PMC"} xref: PMID:21822161 {source="Europe PMC"} xref: PMID:21845006 {source="Europe PMC"} xref: PMID:21852060 {source="Europe PMC"} xref: PMID:21886905 {source="Europe PMC"} xref: PMID:21888613 {source="Europe PMC"} xref: PMID:21969105 {source="Europe PMC"} xref: PMID:22035899 {source="Europe PMC"} xref: PMID:22059694 {source="Europe PMC"} xref: PMID:22121864 {source="Europe PMC"} xref: PMID:22241281 {source="Europe PMC"} xref: PMID:22250612 {source="Europe PMC"} xref: Reaxys:6876191 {source="Reaxys"} xref: Wikipedia:Amisulpride is_a: CHEBI:22702 ! benzamides is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:35850 ! sulfone is_a: CHEBI:38260 ! pyrrolidines relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:65191 ! second generation antipsychotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H27N3O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTJOBXMMWNYJFB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "369.47900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.17223" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC" xsd:string [Term] id: CHEBI:64047 name: food additive namespace: chebi_ontology def: "Any substance which is added to food to preserve or enhance its flavour and/or appearance." [] subset: 3_STAR synonym: "food additives" RELATED [ChEBI] xref: Wikipedia:Food_additive is_a: CHEBI:33232 ! application is_a: CHEBI:78295 ! food component [Term] id: CHEBI:64049 name: food acidity regulator namespace: chebi_ontology def: "A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents." [] subset: 3_STAR synonym: "acidity regulator" RELATED [ChEBI] synonym: "acidity regulators" RELATED [ChEBI] synonym: "food acidity regulators" RELATED [ChEBI] synonym: "pH control agent" RELATED [ChEBI] synonym: "pH control agents" RELATED [ChEBI] xref: Wikipedia:Acidity_regulator is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64054 name: delta-opioid receptor agonist namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:60601 ! delta-opioid agent is_a: CHEBI:60606 ! opioid receptor agonist [Term] id: CHEBI:6407 name: lenacil namespace: chebi_ontology def: "A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3." [] subset: 3_STAR synonym: "3-cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione" RELATED [Alan_Wood's_Pesticides] synonym: "3-cyclohexyl-5,6-trimethyleneuracil" RELATED [ChEBI] synonym: "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione" EXACT IUPAC_NAME [IUPAC] xref: CAS:2164-08-1 {source="KEGG COMPOUND"} xref: CAS:2164-08-1 {source="ChemIDplus"} xref: KEGG:C11200 xref: Pesticides:lenacil {source="Alan Wood's Pesticides"} xref: PMID:10552732 {source="Europe PMC"} xref: PMID:24018142 {source="Europe PMC"} xref: PMID:4852033 {source="Europe PMC"} xref: PPDB:417 xref: Reaxys:751331 {source="Reaxys"} is_a: CHEBI:48437 ! cyclopentapyrimidine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZTMKADLOSYKWCA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.29420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "234.13683" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1" xsd:string [Term] id: CHEBI:64090 name: tert-butyl hydroperoxide namespace: chebi_ontology def: "An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes." [] subset: 3_STAR synonym: "1,1-Dimethylethyl hydroperoxide" RELATED [ChemIDplus] synonym: "2-Hydroperoxy-2-methylpropane" RELATED [ChemIDplus] synonym: "Dimethylethyl hydroperoxide" RELATED [NIST_Chemistry_WebBook] synonym: "Hydroperoxyde de butyle tertiaire" RELATED [NIST_Chemistry_WebBook] synonym: "t-butyl hydroperoxide" RELATED [ChEBI] synonym: "t-Butylhydroperoxide" RELATED [NIST_Chemistry_WebBook] synonym: "TBHP" RELATED [ChEBI] synonym: "tert-butyl hydroperoxide" EXACT IUPAC_NAME [IUPAC] synonym: "tert-butyl hydroperoxide" EXACT [UniProt] synonym: "tert-Butylhydroperoxide" RELATED [ChemIDplus] synonym: "Tertiary-butyl hydroperoxide" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1098280 {source="ChemIDplus"} xref: CAS:75-91-2 {source="ChemIDplus"} xref: CAS:75-91-2 {source="NIST Chemistry WebBook"} xref: PMID:21418283 {source="Europe PMC"} xref: PMID:22037478 {source="Europe PMC"} xref: PMID:22039964 {source="Europe PMC"} xref: PMID:22326806 {source="Europe PMC"} xref: PMID:22337620 {source="Europe PMC"} xref: PMID:22369679 {source="Europe PMC"} xref: Reaxys:1098280 {source="Reaxys"} xref: Wikipedia:Tert-Butyl_hydroperoxide is_a: CHEBI:61050 ! alkyl hydroperoxide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:63248 ! oxidising agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIHOLLKRGTVIJN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.12100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)OO" xsd:string [Term] id: CHEBI:64106 name: protein kinase agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a protein kinase receptor." [] subset: 3_STAR synonym: "protein kinase agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:64133 name: EC 2.5.1.58 (protein farnesyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein farnesyltransferase (EC 2.5.1.58), one of the three enzymes in the prenyltransferase group." [] subset: 3_STAR synonym: "EC 2.5.1.58 (protein farnesyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.58 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.58 inhibitors" RELATED [ChEBI] synonym: "farnesyl transferase inhibitor" RELATED [ChEBI] synonym: "farnesyl transferase inhibitors" RELATED [ChEBI] synonym: "farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitor" RELATED [ChEBI] synonym: "farnesyl-diphosphate:protein-cysteine farnesyltransferase inhibitors" RELATED [ChEBI] synonym: "farnesyltransferase inhibitor" RELATED [ChEBI] synonym: "farnesyltransferase inhibitors" RELATED [ChEBI] synonym: "FTase inhibitor" RELATED [ChEBI] synonym: "FTase inhibitors" RELATED [ChEBI] synonym: "protein farnesyltransferase (EC 2.5.1.58) inhibitor" RELATED [ChEBI] synonym: "protein farnesyltransferase (EC 2.5.1.58) inhibitors" RELATED [ChEBI] synonym: "protein farnesyltransferase inhibitor" RELATED [ChEBI] synonym: "protein farnesyltransferase inhibitors" RELATED [ChEBI] xref: Wikipedia:Farnesyltransferase is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:64152 name: cysteine protease inhibitor namespace: chebi_ontology def: "Any protease inhibitor that restricts the action of a cysteine protease." [] subset: 3_STAR synonym: "cysteine protease inhibitors" RELATED [ChEBI] synonym: "cysteine proteinase inhibitor" RELATED [ChEBI] synonym: "cysteine proteinase inhibitors" RELATED [ChEBI] is_a: CHEBI:37670 ! protease inhibitor is_a: CHEBI:76796 ! EC 3.4.22.* (cysteine endopeptidase) inhibitor [Term] id: CHEBI:64163 name: diquat namespace: chebi_ontology def: "The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide." [] subset: 3_STAR synonym: "1,1'-Ethylene-2,2'-bipyridyldylium ion" RELATED [ChemIDplus] synonym: "1,1'-Ethylene-2,2'-bipyridylium ion" RELATED [ChemIDplus] synonym: "6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium" EXACT IUPAC_NAME [IUPAC] synonym: "9,10-Dihydro-8a,10a-diazoniaphenanthrene" RELATED [ChemIDplus] synonym: "Diquat dication" RELATED [ChemIDplus] xref: CAS:2764-72-9 {source="KEGG COMPOUND"} xref: CAS:2764-72-9 {source="ChemIDplus"} xref: KEGG:C18577 xref: PPDB:1541 xref: Reaxys:3670526 {source="Reaxys"} xref: Wikipedia:Diquat is_a: CHEBI:25697 ! organic cation relationship: has_parent_hydride CHEBI:30351 ! 2,2'-bipyridine relationship: has_role CHEBI:23582 ! defoliant property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H12N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SYJFEGQWDCRVNX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.23710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "184.09895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C[n+]2ccccc2-c2cccc[n+]12" xsd:string [Term] id: CHEBI:64220 name: monosodium glutamate namespace: chebi_ontology def: "An organic sodium salt that is the monosodium salt of glutamic acid." [] comment: LanguaL term definition: Food additive; technological purpose(s): flavour enhancer. subset: 3_STAR synonym: "MSG" RELATED [SUBMITTER] synonym: "sodium 2-ammoniopentanedioate" RELATED [IUPAC] synonym: "sodium 2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium glutamate" RELATED [SUBMITTER] xref: Codex:\:621 xref: Europe:\:621 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1652 xref: PMID:22293291 {source="Europe PMC"} xref: Reaxys:17003240 {source="Reaxys"} is_a: CHEBI:38700 ! organic sodium salt is_a: FOODON:03412972 ! food additive relationship: has_part CHEBI:14321 ! glutamate(1-) property_value: hasSynonym "monosodium l-glutamate" xsd:string property_value: hasSynonym "msg" xsd:string property_value: hasSynonym "sodium glutamate" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NNaO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LPUQAYUQRXPFSQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.11110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.03510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[NH3+]C(CCC([O-])=O)C([O-])=O" xsd:string property_value: IAO:0000118 "monosodium glutamate" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64228 name: tunicamycin A0 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 11-methyldodec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-11-methyldodec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(11-methyldodec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin I" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H58N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H58N4O16/c1-17(2)11-9-7-5-4-6-8-10-12-22(44)38-25-29(49)26(46)20(53-35(25)56-34-24(37-18(3)42)28(48)27(47)21(16-41)54-34)15-19(43)32-30(50)31(51)33(55-32)40-14-13-23(45)39-36(40)52/h10,12-14,17,19-21,24-35,41,43,46-51H,4-9,11,15-16H2,1-3H3,(H,37,42)(H,38,44)(H,39,45,52)/b12-10+/t19-,20-,21-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,35+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIIRBPHYBLFBSD-MZPZZZQLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "802.86290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "802.38478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64237 name: EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor namespace: chebi_ontology def: "An EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor that interferes with the action of any UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15), preventing formation of N-acetylglucosamine lipid intermediates and glycosylation of newly synthesised glycoproteins." [] subset: 3_STAR synonym: "chitobiosylpyrophosphoryldolichol synthase inhibitor" RELATED [ChEBI] synonym: "chitobiosylpyrophosphoryldolichol synthase inhibitors" RELATED [ChEBI] synonym: "dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "dolichol phosphate N-acetylglucosamine-1-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.8.15 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.8.15 inhibitors" RELATED [ChEBI] synonym: "GlcNAc-1-P transferase inhibitor" RELATED [ChEBI] synonym: "GlcNAc-1-P transferase inhibitors" RELATED [ChEBI] synonym: "N-acetylglucosamine phosphotransferase inhibitor" RELATED [ChEBI] synonym: "N-acetylglucosamine transferase inhibitors" RELATED [ChEBI] synonym: "N-acetylglucosamine-1-phosphate transferase inhibitor" RELATED [ChEBI] synonym: "N-acetylglucosamine-1-phosphate transferase inhibitors" RELATED [ChEBI] synonym: "UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitor" RELATED [ChEBI] synonym: "UDP-acetylglucosamine--dolichol phosphate acetylglucosamine phosphotransferase inhibitors" RELATED [ChEBI] synonym: "UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "UDP-acetylglucosamine--dolichol phosphate acetylglucosamine-1-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitor" RELATED [ChEBI] synonym: "UDP-D-N-acetylglucosamine N-acetylglucosamine 1-phosphate transferase inhibitors" RELATED [ChEBI] synonym: "UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitor" RELATED [ChEBI] synonym: "UDP-GlcNAc:dolichyl-phosphate GlcNAc-1-phosphate transferase inhibitors" RELATED [ChEBI] synonym: "UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitor" RELATED [ChEBI] synonym: "UDP-N-acetyl-D-glucosamine:dolichol phosphate N-acetyl-D-glucosamine-1-phosphate transferase inhibitors" RELATED [ChEBI] synonym: "UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitor" RELATED [ChEBI] synonym: "UDP-N-acetyl-D-glucosamine:dolichyl-phosphate N-acetyl-D-glucosaminephosphotransferase inhibitors" RELATED [ChEBI] synonym: "UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitor" RELATED [ChEBI] synonym: "UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase (EC 2.7.8.15) inhibitors" RELATED [ChEBI] synonym: "UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitor" RELATED [ChEBI] synonym: "UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase inhibitors" RELATED [ChEBI] synonym: "uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "uridine diphosphoacetylglucosamine--dolichyl phosphate acetylglucosamine-1-phosphotransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76816 ! EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor [Term] id: CHEBI:64243 name: monosodium L-glutamate namespace: chebi_ontology def: "An optically active form of monosodium glutamate having L-configuration." [] subset: 3_STAR synonym: "Glutamate monosodium salt" RELATED [ChemIDplus] synonym: "Glutamate Sodium" RELATED [ChemIDplus] synonym: "Glutamic acid, monosodium salt" RELATED [ChemIDplus] synonym: "Glutammato monosodico" RELATED [ChemIDplus] synonym: "L(+) Sodium glutamate" RELATED [ChemIDplus] synonym: "Monosodioglutammato" RELATED [ChemIDplus] synonym: "Monosodium glutamate" RELATED [ChemIDplus] synonym: "MSG" RELATED [ChemIDplus] synonym: "Natrium L-hydrogenglutamat" RELATED [ChemIDplus] synonym: "Natriumglutaminat" RELATED [ChemIDplus] synonym: "sodium (2S)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "sodium (2S)-2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium glutamate" RELATED [ChemIDplus] synonym: "Sodium hydrogen glutamate" RELATED [ChemIDplus] synonym: "Sodium L-glutamate" RELATED [ChemIDplus] xref: CAS:142-47-2 {source="ChemIDplus"} xref: PMID:21054690 {source="Europe PMC"} xref: PMID:21925279 {source="Europe PMC"} xref: PMID:22008743 {source="Europe PMC"} xref: PMID:22104770 {source="Europe PMC"} xref: PMID:22154980 {source="Europe PMC"} xref: PMID:22204889 {source="Europe PMC"} xref: PMID:22222358 {source="Europe PMC"} xref: PMID:22223845 {source="Europe PMC"} xref: PMID:22245354 {source="Europe PMC"} xref: PMID:22248457 {source="Europe PMC"} xref: PMID:22286833 {source="Europe PMC"} xref: PMID:22293291 {source="Europe PMC"} xref: PMID:22307498 {source="Europe PMC"} xref: PMID:22346139 {source="Europe PMC"} xref: PMID:22415589 {source="Europe PMC"} xref: Reaxys:17456768 {source="Reaxys"} xref: Wikipedia:Monosodium_glutamate is_a: CHEBI:64220 ! monosodium glutamate relationship: has_part CHEBI:29985 ! L-glutamate(1-) relationship: has_role CHEBI:35617 ! flavouring agent relationship: is_enantiomer_of CHEBI:64244 ! monosodium D-glutamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NNaO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LPUQAYUQRXPFSQ-DFWYDOINSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.11110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.03510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[NH3+][C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:64244 name: monosodium D-glutamate namespace: chebi_ontology def: "An optically active form of monosodium glutamate having D-configuration." [] subset: 3_STAR synonym: "sodium (2R)-2-azaniumylpentanedioate" EXACT IUPAC_NAME [IUPAC] xref: PMID:8670713 {source="Europe PMC"} is_a: CHEBI:64220 ! monosodium glutamate relationship: has_part CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:64243 ! monosodium L-glutamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NNaO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4.Na/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LPUQAYUQRXPFSQ-AENDTGMFSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.11110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.03510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[NH3+][C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:64245 name: tunicamycin A1 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 12-methyltridec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(12-methyltridec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin A1" EXACT [UniProt] synonym: "tunicamycin C" RELATED [ChEBI] synonym: "tunicamycin II" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} xref: Reaxys:8183793 {source="Reaxys"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H60N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/b13-11+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YJQCOFNZVFGCAF-LLXUUZRASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "816.88950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "816.40043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64246 name: tunicamycin A2 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a tetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]tetradec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(tetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin III" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H60N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H60N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(2)43)29(49)28(48)22(18-42)55-35)17-20(44)33-31(51)32(52)34(56-33)41-16-15-24(46)40-37(41)53/h13-16,20-22,25-36,42,44,47-52H,3-12,17-18H2,1-2H3,(H,38,43)(H,39,45)(H,40,46,53)/b14-13+/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MMDMXWRRAOLMDC-ZNZAGFTISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "816.88950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "816.40043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64248 name: tunicamycin B1 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a pentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin IV" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H62N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H62N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(2)44)30(50)29(49)23(19-43)56-36)18-21(45)34-32(52)33(53)35(57-34)42-17-16-25(47)41-38(42)54/h14-17,21-23,26-37,43,45,48-53H,3-13,18-19H2,1-2H3,(H,39,44)(H,40,46)(H,41,47,54)/b15-14+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYVMTFXNKNWWFX-YGTZKZKGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "830.91610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "830.41608" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64250 name: tunicamycin B2 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 13-methyltetradec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin A" RELATED [ChEBI] synonym: "tunicamycin V" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} xref: Reaxys:5711197 {source="Reaxys"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H62N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEYZYGMYMLNUHJ-DIRMKAHISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "830.91610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "830.41608" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64255 name: tunicamycin B3 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by an 13-methyltetradecanoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-13-methyltetradecanamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradecanamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "tunicamycin VI" RELATED [ChEBI] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H64N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XAFNQFHOQPRGAK-KTVOANSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "832.93200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "832.43173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64256 name: tunicamycin C1 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 14-methylpentadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-14-methylpentadec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(14-methylpentadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] synonym: "corynetoxin U-16I" RELATED [ChemIDplus] synonym: "tunicamycin B" RELATED [ChEBI] synonym: "tunicamycin VII" RELATED [ChEBI] xref: CAS:66081-36-5 {source="ChemIDplus"} xref: Chemspider:27471426 xref: MetaCyc:CPD-19373 xref: PMID:29844049 {source="Europe PMC"} xref: PMID:29973921 {source="Europe PMC"} xref: PMID:30445836 {source="Europe PMC"} xref: PMID:33636028 {source="Europe PMC"} xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:76507 ! marine metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C39H64N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOCXUHJGZXXIGQ-NPXWYGMKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "844.94270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "844.43173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64257 name: tunicamycin C2 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a hexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]hexadec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(hexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C39H64N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C39H64N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(2)45)31(51)30(50)24(20-44)57-37)19-22(46)35-33(53)34(54)36(58-35)43-18-17-26(48)42-39(43)55/h15-18,22-24,27-38,44,46,49-54H,3-14,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48,55)/b16-15+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NKDRZEIENXWUCE-VDIUWDQWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "844.94270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "844.43173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64258 name: erythromycin C(1+) namespace: chebi_ontology def: "An erythromycin cation that is the conjugate acid of erythromycin C, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; major species at pH 7.3." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "erythromycin C" RELATED [UniProt] synonym: "erythromycin C cation" RELATED [ChEBI] xref: KEGG:C06616 {source="SUBMITTER"} xref: MetaCyc:CPD-13951 {source="SUBMITTER"} xref: PMID:7849045 {source="SUBMITTER"} is_a: CHEBI:64290 ! erythromycin cation relationship: is_conjugate_acid_of CHEBI:64273 ! erythromycin C property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H66NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWFRKHPRXPSWNT-QNPWSHAKSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "720.90810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "720.45287" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:64268 name: erythromycin A(1+) namespace: chebi_ontology def: "An erythromycin cation that is the conjugate acid of erythromycin A, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue; major species at pH 7.3." [] subset: 3_STAR synonym: "erythromycin A" RELATED [UniProt] synonym: "erythromycin A cation" RELATED [ChEBI] xref: MetaCyc:CPD-13804 {source="SUBMITTER"} is_a: CHEBI:64290 ! erythromycin cation relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: is_conjugate_acid_of CHEBI:42355 ! erythromycin A property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H68NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ULGZDMOVFRHVEP-RWJQBGPGSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "734.93470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "734.46852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:64271 name: tunicamycin D1 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a heptadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]heptadec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(heptadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H66N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H66N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(2)46)32(52)31(51)25(21-45)58-38)20-23(47)36-34(54)35(55)37(59-36)44-19-18-27(49)43-40(44)56/h16-19,23-25,28-39,45,47,50-55H,3-15,20-21H2,1-2H3,(H,41,46)(H,42,48)(H,43,49,56)/b17-16+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DYGXSHBNTGWENQ-YTXMDVFISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "858.96920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "858.44738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCCCCC)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64272 name: tunicamycin D2 namespace: chebi_ontology def: "A nucleoside that is one of the homologues in the mixture that is tunicamycin, characterised by a 15-methylhexadec-2-enoyl fatty acyl substituent on the amino group of the tunicamine moiety." [] subset: 3_STAR synonym: "(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-15-methylhexadec-2-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(15-methylhexadec-2-enamido)-beta-D-galactopyranos-6-yl]uridine" EXACT IUPAC_NAME [IUPAC] xref: PMID:7061468 {source="Europe PMC"} is_a: CHEBI:33838 ! nucleoside relationship: has_role CHEBI:33281 ! antimicrobial agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H66N4O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H66N4O16/c1-21(2)15-13-11-9-7-5-4-6-8-10-12-14-16-26(48)42-29-33(53)30(50)24(57-39(29)60-38-28(41-22(3)46)32(52)31(51)25(20-45)58-38)19-23(47)36-34(54)35(55)37(59-36)44-18-17-27(49)43-40(44)56/h14,16-18,21,23-25,28-39,45,47,50-55H,4-13,15,19-20H2,1-3H3,(H,41,46)(H,42,48)(H,43,49,56)/b16-14+/t23-,24-,25-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37-,38-,39+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XCEPHNBEHQJSSB-LGJGITPNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "858.96920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "858.44738" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](O)(C[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](NC(=O)\\C=C\\CCCCCCCCCCCC(C)C)[C@@H](O)[C@H]1O)[C@@]1([H])O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64273 name: erythromycin C namespace: chebi_ontology def: "An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively." [] subset: 3_STAR synonym: "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione" EXACT IUPAC_NAME [IUPAC] synonym: "3''-O-Demethylerythromycin" RELATED [ChemIDplus] xref: CAS:1675-02-1 {source="ChemIDplus"} xref: KEGG:C06616 xref: LIPID_MAPS_instance:LMPK04000009 {source="LIPID MAPS"} xref: MetaCyc:CPD-13951 xref: Patent:US5476843 xref: PMID:15530995 {source="Europe PMC"} xref: PMID:15870344 {source="Europe PMC"} xref: PMID:4587460 {source="Europe PMC"} xref: PMID:4995842 {source="Europe PMC"} xref: Reaxys:75000 {source="Reaxys"} is_a: CHEBI:48923 ! erythromycin relationship: has_functional_parent CHEBI:48848 ! erythronolide A relationship: is_conjugate_base_of CHEBI:64258 ! erythromycin C(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C36H65NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWFRKHPRXPSWNT-QNPWSHAKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "719.90020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "719.44559" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O" xsd:string [Term] id: CHEBI:64276 name: glutaraldehyde namespace: chebi_ontology alt_id: CHEBI:45072 def: "A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5." [] subset: 3_STAR synonym: "1,3-Diformylpropane" RELATED [ChemIDplus] synonym: "1,5-Pentanedial" RELATED [KEGG_COMPOUND] synonym: "1,5-Pentanedione" RELATED [NIST_Chemistry_WebBook] synonym: "Glutaral" RELATED [ChemIDplus] synonym: "glutaral" RELATED INN [ChemIDplus] synonym: "Glutaraldehyde" EXACT [KEGG_COMPOUND] synonym: "glutaralum" RELATED INN [ChemIDplus] synonym: "Glutardialdehyde" RELATED [ChemIDplus] synonym: "Glutardialdehyde" RELATED [NIST_Chemistry_WebBook] synonym: "Glutaric acid dialdehyde" RELATED [ChemIDplus] synonym: "Glutaric dialdehyde" RELATED [ChemIDplus] synonym: "PENTANEDIAL" RELATED [PDBeChem] synonym: "pentanedial" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:605390 {source="Beilstein"} xref: CAS:111-30-8 {source="ChemIDplus"} xref: CAS:111-30-8 {source="NIST Chemistry WebBook"} xref: CAS:111-30-8 {source="KEGG COMPOUND"} xref: Drug_Central:3267 {source="DrugCentral"} xref: HMDB:HMDB0029599 xref: KEGG:C12518 xref: KEGG:D01120 xref: PDBeChem:PTD xref: PMID:10672649 {source="Europe PMC"} xref: PMID:11378863 {source="Europe PMC"} xref: PMID:22020189 {source="Europe PMC"} xref: PMID:22221459 {source="Europe PMC"} xref: PMID:22233542 {source="Europe PMC"} xref: PMID:22266295 {source="Europe PMC"} xref: PMID:22269730 {source="Europe PMC"} xref: PMID:22348538 {source="Europe PMC"} xref: PMID:22351440 {source="Europe PMC"} xref: PMID:24332617 {source="Europe PMC"} xref: PMID:7701454 {source="Europe PMC"} xref: PMID:9582689 {source="Europe PMC"} xref: PPDB:1567 xref: Reaxys:605390 {source="Reaxys"} xref: Wikipedia:Glutaraldehyde is_a: CHEBI:38124 ! dialdehyde relationship: has_role CHEBI:48219 ! disinfectant relationship: has_role CHEBI:50684 ! cross-linking reagent relationship: has_role CHEBI:50913 ! fixative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SXRSQZLOMIGNAQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.11580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=CCCCC=O" xsd:string [Term] id: CHEBI:64290 name: erythromycin cation namespace: chebi_ontology def: "An organic cation obtained by protonation of any erythromycin." [] subset: 3_STAR synonym: "erythromycin cation" EXACT [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_base_of CHEBI:48923 ! erythromycin [Term] id: CHEBI:64301 name: calcium cyanamide namespace: chebi_ontology def: "The calcium salt of cyanamide, formed when calcium carbide reacts with nitrogen" [] subset: 3_STAR synonym: "calcium carbimide" RELATED INN [ChemIDplus] synonym: "calcium methanediylidenediazanide" EXACT IUPAC_NAME [IUPAC] synonym: "carbimida calcica" RELATED INN [ChemIDplus] synonym: "carbimide calcique" RELATED INN [ChemIDplus] synonym: "Cyanamide calcique" RELATED [ChemIDplus] synonym: "Cyanamide, calcium salt (1:1)" RELATED [ChemIDplus] synonym: "Lime nitrogen" RELATED [ChemIDplus] synonym: "Lime-nitrogen" RELATED [ChemIDplus] synonym: "methanediimine, calcium salt (1:1)" RELATED [ChEBI] synonym: "Nitrogen lime" RELATED [ChemIDplus] xref: CAS:156-62-7 {source="ChemIDplus"} xref: CAS:156-62-7 {source="KEGG COMPOUND"} xref: KEGG:C19113 xref: KEGG:D03288 xref: PPDB:2720 xref: Reaxys:3690962 {source="Reaxys"} xref: Wikipedia:Calcium_cyanamide is_a: CHEBI:35156 ! calcium salt relationship: has_part CHEBI:64302 ! cyanamide(2-) relationship: has_role CHEBI:33287 ! fertilizer property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCaN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CN2.Ca/c2-1-3;/q-2;+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYFXBBAEXORJNB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.10200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.96874" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].[N-]=C=[N-]" xsd:string [Term] id: CHEBI:64302 name: cyanamide(2-) namespace: chebi_ontology def: "An organic nitrogen anion formed from cyanamide by loss of its two protons." [] subset: 3_STAR synonym: "methanediylidenediazanide" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50335 ! organic nitrogen anion relationship: is_conjugate_base_of CHEBI:16698 ! cyanamide property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CN2/c2-1-3/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNPNDPSDUHYDEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.02410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "40.00725" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N-]=C=[N-]" xsd:string [Term] id: CHEBI:64317 name: isoprenaline namespace: chebi_ontology def: "A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders." [] subset: 3_STAR synonym: "(+-)-isoprenaline" RELATED [ChemIDplus] synonym: "(+-)-isoproterenol" RELATED [ChemIDplus] synonym: "1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanol" RELATED [ChemIDplus] synonym: "1-(3,4-dihydroxyphenyl)-2-isopropylaminoethanol" RELATED [ChemIDplus] synonym: "3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol" RELATED [ChemIDplus] synonym: "4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-(isopropylaminomethyl)protocatechuyl alcohol" RELATED [ChemIDplus] synonym: "isoprenalina" RELATED INN [ChemIDplus] synonym: "Isoprenaline" EXACT [KEGG_COMPOUND] synonym: "isoprenaline" RELATED INN [KEGG_DRUG] synonym: "isoprenaline" RELATED INN [WHO_MedNet] synonym: "isoprenalinum" RELATED INN [ChemIDplus] synonym: "isopropyl noradrenaline" RELATED [ChemIDplus] synonym: "isoproterenol" RELATED [ChemIDplus] synonym: "N-isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine" RELATED [ChemIDplus] synonym: "N-isopropylnoradrenaline" RELATED [ChemIDplus] synonym: "N-isopropylnorepinephrine" RELATED [ChemIDplus] xref: CAS:7683-59-2 {source="ChemIDplus"} xref: CAS:7683-59-2 {source="KEGG DRUG"} xref: CAS:7683-59-2 {source="NIST Chemistry WebBook"} xref: CAS:7683-59-2 {source="KEGG COMPOUND"} xref: Drug_Central:1499 {source="DrugCentral"} xref: DrugBank:DB01064 xref: KEGG:C07056 xref: KEGG:D08090 xref: LINCS:LSM-4311 xref: Patent:DE723278 xref: Patent:US2308232 xref: Reaxys:2213857 {source="Reaxys"} xref: Wikipedia:Isoprenaline is_a: CHEBI:33566 ! catechols is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35522 relationship: has_role CHEBI:35523 ! bronchodilator agent relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:38147 ! cardiotonic drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWZZKOKVBUJMES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.25760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.12084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NCC(O)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:6432 name: levamisole namespace: chebi_ontology def: "A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine." [] subset: 3_STAR synonym: "(-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" RELATED [ChEBI] synonym: "(-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole" RELATED [ChEBI] synonym: "(-)-tetramisole" RELATED [ChemIDplus] synonym: "(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-levamisole" RELATED [ChemIDplus] synonym: "(S)-(-)-tetramisole" RELATED [ChEBI] synonym: "(S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole" RELATED [ChEBI] synonym: "Ketrax" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Lepuron" RELATED BRAND_NAME [ChemIDplus] synonym: "levamisol" RELATED INN [WHO_MedNet] synonym: "levamisole" RELATED INN [WHO_MedNet] synonym: "levamisolum" RELATED INN [WHO_MedNet] synonym: "Levomysol" RELATED BRAND_NAME [ChemIDplus] synonym: "Levovermax" RELATED BRAND_NAME [ChEBI] synonym: "Totalon" RELATED BRAND_NAME [ChEBI] synonym: "Wormicid" RELATED BRAND_NAME [ChemIDplus] xref: CAS:14769-73-4 {source="KEGG COMPOUND"} xref: CAS:14769-73-4 {source="ChemIDplus"} xref: Drug_Central:1561 {source="DrugCentral"} xref: DrugBank:DB00848 xref: HMDB:HMDB0014986 xref: KEGG:C07070 xref: KEGG:D08114 xref: LINCS:LSM-6655 xref: Patent:US3274209 xref: Patent:US3565907 xref: Patent:US3579530 xref: PMID:10701095 {source="Europe PMC"} xref: PMID:12232676 {source="Europe PMC"} xref: PMID:12749943 {source="Europe PMC"} xref: PMID:15109274 {source="Europe PMC"} xref: PMID:1618599 {source="Europe PMC"} xref: PMID:17608969 {source="Europe PMC"} xref: PMID:189006 {source="Europe PMC"} xref: PMID:2050823 {source="Europe PMC"} xref: PMID:22337783 {source="Europe PMC"} xref: PMID:22607692 {source="Europe PMC"} xref: PMID:23041983 {source="Europe PMC"} xref: PMID:23152411 {source="Europe PMC"} xref: PMID:23543977 {source="Europe PMC"} xref: PMID:23577329 {source="Europe PMC"} xref: PMID:23649929 {source="Europe PMC"} xref: PMID:23921349 {source="Europe PMC"} xref: PMID:24365689 {source="Europe PMC"} xref: PMID:24440755 {source="Europe PMC"} xref: PMID:365327 {source="Europe PMC"} xref: PMID:366135 {source="Europe PMC"} xref: PMID:366137 {source="Europe PMC"} xref: PMID:669135 {source="Europe PMC"} xref: PMID:6995092 {source="Europe PMC"} xref: PMID:6995094 {source="Europe PMC"} xref: PMID:7051554 {source="Europe PMC"} xref: PMID:827785 {source="Europe PMC"} xref: Reaxys:4233256 {source="Reaxys"} xref: VSDB:1798 xref: Wikipedia:Levamisole is_a: CHEBI:77278 ! 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole relationship: has_role CHEBI:35444 ! antinematodal drug relationship: has_role CHEBI:35842 ! antirheumatic drug relationship: has_role CHEBI:50847 ! immunological adjuvant relationship: has_role CHEBI:63332 ! EC 3.1.3.1 (alkaline phosphatase) inhibitor relationship: is_enantiomer_of CHEBI:77282 ! dexamisole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HLFSDGLLUJUHTE-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.29100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.07212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN2C[C@@H](N=C2S1)c1ccccc1" xsd:string [Term] id: CHEBI:64345 name: MALDI matrix material namespace: chebi_ontology def: "A compound used to form the matrix for MALDI (matrix-assisted laser desorption/ionization) mass spectrometry. MALDI matrix materials are crystalline compounds with a fairly low molecular weight, so as to allow facile vaporization, have strong absorption at UV or IR wavelengths (to rapidly and efficiently absorb laser irradiation), generally contain polar groups (enabling them to be used in aqueous solutions) and are frequently acidic (so assisting ionisation of the compound being studied, which is contained within the matrix material)." [] subset: 3_STAR synonym: "'matrix-assisted laser desorption/ionization' matrix material" RELATED [ChEBI] synonym: "'matrix-assisted laser desorption/ionization' matrix materials" RELATED [ChEBI] synonym: "MALDI matrix materials" RELATED [ChEBI] synonym: "MALDI matrix solution" RELATED [ChEBI] synonym: "MALDI matrix solutions" RELATED [ChEBI] xref: Patent:EP2060919 xref: PMID:15373456 {source="Europe PMC"} xref: Wikipedia:Matrix-assisted_laser_desorption/ionization#Matrix is_a: CHEBI:33232 ! application [Term] id: CHEBI:64365 name: aralkylamino compound namespace: chebi_ontology def: "An organic amino compound in which an aminoalkyl group is linked to an arene." [] subset: 3_STAR synonym: "aralkylamino compounds" RELATED [ChEBI] is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:6437 name: levetiracetam namespace: chebi_ontology def: "A pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl group (the S enantiomer). An anticonvulsant, it is used for the treatment of epilepsy in both human and veterinary medicine." [] subset: 3_STAR synonym: "(-)-(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide" RELATED [ChemIDplus] synonym: "(2S)-2-(2-oxopyrrolidin-1-yl)butanamide" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide" RELATED [ChEBI] synonym: "(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide" RELATED [ChemIDplus] synonym: "Keppra" RELATED BRAND_NAME [DrugBank] synonym: "Levetiracetam" EXACT [KEGG_COMPOUND] synonym: "levetiracetam" RELATED INN [ChemIDplus] synonym: "levetiracetamum" RELATED INN [ChemIDplus] synonym: "UCB-L 059" RELATED [ChemIDplus] xref: CAS:102767-28-2 {source="ChemIDplus"} xref: CAS:102767-28-2 {source="KEGG COMPOUND"} xref: Drug_Central:1563 {source="DrugCentral"} xref: DrugBank:DB01202 xref: KEGG:C07841 xref: KEGG:D00709 xref: LINCS:LSM-5603 xref: PMID:22119754 {source="Europe PMC"} xref: PMID:22321334 {source="Europe PMC"} xref: Reaxys:8407472 {source="Reaxys"} xref: VSDB:2979 xref: Wikipedia:Levetiracetam is_a: CHEBI:74223 ! pyrrolidin-2-ones relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPHUVLMMVZITSG-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.20900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](N1CCCC1=O)C(N)=O" xsd:string [Term] id: CHEBI:64370 name: glutamate transporter activator namespace: chebi_ontology def: "A neurotransmitter transporter modulator that activates glutamate transporters." [] subset: 3_STAR synonym: "excitatory amino-acid transporter activator" RELATED [ChEBI] synonym: "excitatory amino-acid transporter activators" RELATED [ChEBI] synonym: "glutamate transporter activators" RELATED [ChEBI] is_a: CHEBI:64371 ! neurotransmitter transporter modulator [Term] id: CHEBI:64371 name: neurotransmitter transporter modulator namespace: chebi_ontology def: "A membrane transport modulator that affects the transport of neurotransmitters." [] subset: 3_STAR synonym: "neurotransmitter transporter modulators" RELATED [ChEBI] is_a: CHEBI:35942 ! neurotransmitter agent is_a: CHEBI:38632 ! membrane transport modulator [Term] id: CHEBI:64382 name: organosulfonate salt namespace: chebi_ontology def: "Any organic salt prepared using an organosulfonic acid as the acid component." [] subset: 3_STAR synonym: "organosulfonate salts" RELATED [ChEBI] synonym: "organosulphonate salt" RELATED [ChEBI] synonym: "organosulphonate salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:64406 name: EC 3.4.22.38 (cathepsin K) inhibitor namespace: chebi_ontology def: "A cysteine protease inhibitor which inhibits cathepsin K (EC 3.4.22.38)." [] subset: 3_STAR synonym: "cathepsin K (EC 3.4.22.38) inhibitor" RELATED [ChEBI] synonym: "cathepsin K (EC 3.4.22.38) inhibitors" RELATED [ChEBI] synonym: "cathepsin K inhibitor" RELATED [ChEBI] synonym: "cathepsin K inhibitors" RELATED [ChEBI] synonym: "cathepsin O inhibitor" RELATED [ChEBI] synonym: "cathepsin O inhibitors" RELATED [ChEBI] synonym: "cathepsin O2 inhibitor" RELATED [ChEBI] synonym: "cathepsin O2 inhibitors" RELATED [ChEBI] synonym: "cathepsin X inhibitor" RELATED [ChEBI] synonym: "cathepsin X inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.38 (cathepsin K) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.38 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.22.38 inhibitors" RELATED [ChEBI] xref: Wikipedia:Cathepsin_K is_a: CHEBI:64152 ! cysteine protease inhibitor [Term] id: CHEBI:64411 name: EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of geranylgeranyl diphosphate synthase (EC 2.5.1.29)." [] subset: 3_STAR synonym: "(2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitor" RELATED [ChEBI] synonym: "(2E,6E)-farnesyl-diphosphate:isopentenyl-diphosphate farnesyltranstransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.29 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.29 inhibitors" RELATED [ChEBI] synonym: "farnesyltransferase inhibitor" RELATED [ChEBI] synonym: "farnesyltransferase inhibitors" RELATED [ChEBI] synonym: "geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitor" RELATED [ChEBI] synonym: "geranylgeranyl diphosphate synthase (EC 2.5.1.29) inhibitors" RELATED [ChEBI] synonym: "geranylgeranyl diphosphate synthase inhibitor" RELATED [ChEBI] synonym: "geranylgeranyl diphosphate synthase inhibitors" RELATED [ChEBI] synonym: "geranylgeranyl pyrophosphate synthase inhibitor" RELATED [ChEBI] synonym: "geranylgeranyl pyrophosphate synthase inhibitors" RELATED [ChEBI] synonym: "geranylgeranyl pyrophosphate synthetase inhibitor" RELATED [ChEBI] synonym: "geranylgeranyl pyrophosphate synthetase inhibitors" RELATED [ChEBI] synonym: "geranylgeranyl-PP synthetase inhibitor" RELATED [ChEBI] synonym: "geranylgeranyl-PP synthetase inhibitors" RELATED [ChEBI] synonym: "GGPP synthase inhibitor" RELATED [ChEBI] synonym: "GGPP synthase inhibitors" RELATED [ChEBI] xref: Patent:EP1280891 xref: Patent:US2002004218 is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:64416 name: EC 1.3.1.43 (arogenate dehydrogenase) inhibitor namespace: chebi_ontology def: "An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of arogenate dehydrogenase (EC 1.3.1.43)." [] subset: 3_STAR synonym: "arogenate dehydrogenase (EC 1.3.1.43) inhibitor" RELATED [ChEBI] synonym: "arogenate dehydrogenase (EC 1.3.1.43) inhibitors" RELATED [ChEBI] synonym: "arogenate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "arogenate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "cyclohexadienyl dehydrogenase inhibitor" RELATED [ChEBI] synonym: "cyclohexadienyl dehydrogenase inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.43 (arogenate dehydrogenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.43 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.43 inhibitors" RELATED [ChEBI] synonym: "L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitor" RELATED [ChEBI] synonym: "L-arogenate:NAD(+) oxidoreductase (decarboxylating) inhibitors" RELATED [ChEBI] synonym: "L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitor" RELATED [ChEBI] synonym: "L-arogenate:NAD+ oxidoreductase (decarboxylating) inhibitors" RELATED [ChEBI] synonym: "L-arogenate:NAD+ oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-arogenate:NAD+ oxidoreductase inhibitors" RELATED [ChEBI] synonym: "TyrA(a) inhibitor" RELATED [ChEBI] synonym: "TyrA(a) inhibitors" RELATED [ChEBI] xref: Wikipedia:Arogenate_dehydrogenase is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:6444 name: Levorphanol namespace: chebi_ontology subset: 2_STAR synonym: "aromarone" RELATED [DrugCentral] synonym: "levo-dromoran" RELATED [DrugCentral] synonym: "levorphan" RELATED [DrugCentral] synonym: "Levorphanol" EXACT [KEGG_COMPOUND] synonym: "levorphanol tartrate" RELATED [DrugCentral] synonym: "N-Methyl-3-hydroxymorphinan" RELATED [DrugCentral] synonym: "racemorphan" RELATED [DrugCentral] xref: CAS:77-07-6 {source="KEGG COMPOUND"} xref: Drug_Central:1574 {source="DrugCentral"} xref: HMDB:HMDB0014992 xref: KEGG:C08014 xref: KEGG:D08123 is_a: CHEBI:25418 ! morphinane alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H23NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JAQUASYNZVUNQP-USXIJHARSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.371" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.17796" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31" xsd:string [Term] id: CHEBI:64448 name: arsonate(1-) namespace: chebi_ontology def: "The arsenic oxoanion formed by loss os a single proton from arsonic acid." [] subset: 3_STAR synonym: "hydrogen arsonate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:15943183 {source="Reaxys"} is_a: CHEBI:35776 ! arsenic oxoanion relationship: is_conjugate_acid_of CHEBI:29754 ! arsonate(2-) relationship: is_conjugate_base_of CHEBI:29850 ! arsonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "AsH2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsH3O3/c2-1(3)4/h1H,(H2,2,3,4)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUSBFZWLPXDYIC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.93570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.92254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][As](O)([O-])=O" xsd:string [Term] id: CHEBI:64459 name: biaryl namespace: chebi_ontology def: "An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond." [] subset: 3_STAR synonym: "biaryls" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64477 name: monolignol namespace: chebi_ontology def: "A metabolite of plant origin (phytochemical) which acts as a source material for biosynthesis of both lignans and lignin." [] subset: 3_STAR synonym: "monolignols" RELATED [ChEBI] xref: Wikipedia:Monolignol is_a: CHEBI:76924 ! plant metabolite [Term] id: CHEBI:64558 name: methionine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3." [] subset: 3_STAR synonym: "2-ammonio-4-(methylsulfanyl)butanoate" RELATED [IUPAC] synonym: "2-azaniumyl-4-(methylsulfanyl)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" RELATED [UniProt] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16811 ! methionine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:6456 name: lidocaine namespace: chebi_ontology def: "The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline." [] subset: 3_STAR synonym: "2-(Diethylamino)-2',6'-acetoxylidide" RELATED [ChemIDplus] synonym: "2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide" RELATED [ChemIDplus] synonym: "alpha-diethylamino-2,6-dimethylacetanilide" RELATED [NIST_Chemistry_WebBook] synonym: "Lidocaine" EXACT [KEGG_DRUG] synonym: "Lidoderm" RELATED BRAND_NAME [DrugBank] synonym: "N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2215784 {source="Beilstein"} xref: CAS:137-58-6 {source="NIST Chemistry WebBook"} xref: CAS:137-58-6 {source="ChemIDplus"} xref: Drug_Central:1579 {source="DrugCentral"} xref: DrugBank:DB00281 xref: HMDB:HMDB0014426 xref: KEGG:C07073 xref: KEGG:D00358 xref: LINCS:LSM-3165 xref: Patent:GB706409 xref: Patent:GB758224 xref: Patent:US2441498 xref: PMID:11106996 {source="Europe PMC"} xref: PMID:11120381 {source="Europe PMC"} xref: PMID:11431418 {source="Europe PMC"} xref: PMID:11692349 {source="Europe PMC"} xref: PMID:15056998 {source="Europe PMC"} xref: PMID:16668583 {source="Europe PMC"} xref: PMID:17214917 {source="Europe PMC"} xref: PMID:18940244 {source="Europe PMC"} xref: Reaxys:2215784 {source="Reaxys"} xref: VSDB:1903 xref: Wikipedia:Lidocaine is_a: CHEBI:22712 ! benzenes is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:42843 ! glycinamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36333 ! local anaesthetic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H22N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNJVILVZKWQKPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.33736" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "234.17321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CC(=O)Nc1c(C)cccc1C" xsd:string [Term] id: CHEBI:64570 name: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1)." [] subset: 3_STAR synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitor" RELATED [ChEBI] synonym: "allothreonine aldolase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.1 inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "glycine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "L-serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitor" RELATED [ChEBI] synonym: "L-threonine aldolase inhibitors" RELATED [ChEBI] synonym: "serine aldolase inhibitor" RELATED [ChEBI] synonym: "serine aldolase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethylase inhibitors" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitor" RELATED [ChEBI] synonym: "serine hydroxymethyltransferase inhibitors" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitor" RELATED [ChEBI] synonym: "serine transhydroxymethylase inhibitors" RELATED [ChEBI] synonym: "threonine aldolase inhibitor" RELATED [ChEBI] synonym: "threonine aldolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glycine_hydroxymethyltransferase is_a: CHEBI:76874 ! EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor [Term] id: CHEBI:64571 name: NMDA receptor agonist namespace: chebi_ontology def: "An excitatory amino acid agonist which binds to NMDA receptors and triggers a response." [] subset: 3_STAR synonym: "N-methyl-D-aspartate receptor agonist" RELATED [ChEBI] synonym: "N-methyl-D-aspartate receptor agonists" RELATED [ChEBI] synonym: "NMDA receptor agonists" RELATED [ChEBI] synonym: "NMDAR agonist" RELATED [ChEBI] synonym: "NMDAR agonists" RELATED [ChEBI] is_a: CHEBI:50103 ! excitatory amino acid agonist [Term] id: CHEBI:64577 name: flour treatment agent namespace: chebi_ontology def: "A food additive which is added to flour or dough to improve baking quality and/or colour." [] subset: 3_STAR synonym: "dough improver" RELATED [ChEBI] synonym: "dough improvers" RELATED [ChEBI] synonym: "flour treatment agent" EXACT [ChEBI] synonym: "improving agent" RELATED [ChEBI] synonym: "improving agents" RELATED [ChEBI] xref: Wikipedia:Flour_treatment_agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:64584 name: uremic toxin namespace: chebi_ontology def: "A toxin that accumulates in patients with chronic kidney disease." [] subset: 3_STAR synonym: "uremic toxins" RELATED [ChEBI] xref: Wikipedia:Uremic_toxin is_a: CHEBI:27026 ! toxin [Term] id: CHEBI:64588 name: glycine transporter 1 inhibitor namespace: chebi_ontology def: "Any glycine transporter inhibitor that interferes with the action of glycine 1 transporters." [] subset: 3_STAR synonym: "glycine transporter 1 inhibitors" RELATED [ChEBI] synonym: "GlyT1 inhibitor" RELATED [ChEBI] synonym: "GlyT1 inhibitors" RELATED [ChEBI] xref: PMID:17504107 {source="Europe PMC"} xref: PMID:18758757 {source="Europe PMC"} xref: PMID:20678516 {source="Europe PMC"} xref: PMID:21141920 {source="Europe PMC"} xref: PMID:21531289 {source="Europe PMC"} xref: PMID:22177408 {source="Europe PMC"} xref: Wikipedia:Glycine_transporter_1 is_a: CHEBI:85425 ! glycine transporter inhibitor [Term] id: CHEBI:64589 name: glycine receptor agonist namespace: chebi_ontology def: "An agonist that binds to and activates glycine receptors" [] subset: 3_STAR synonym: "glycine receptor agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:64598 name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one namespace: chebi_ontology def: "A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells." [] subset: 3_STAR synonym: "1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone" RELATED [ChemIDplus] synonym: "1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "C13H16Cl2O4" RELATED [SUBMITTER] synonym: "DIF 1" RELATED [ChEBI] synonym: "DIF-1" RELATED [SUBMITTER] synonym: "Dif-1 (dictyostelium)" RELATED [ChemIDplus] synonym: "Differentiation-inducing factor 1" RELATED [SUBMITTER] synonym: "differentiation-inducing factor-1" RELATED [SUBMITTER] synonym: "Morphogen differentiation inducing factor (dictyostelium)" RELATED [ChemIDplus] xref: CAS:111050-72-7 {source="ChemIDplus"} xref: PMID:12555068 {source="Europe PMC"} xref: PMID:1521542 {source="Europe PMC"} xref: PMID:15333995 {source="Europe PMC"} xref: PMID:15470253 {source="Europe PMC"} xref: PMID:1731750 {source="Europe PMC"} xref: PMID:18305004 {source="Europe PMC"} xref: PMID:19414353 {source="Europe PMC"} xref: PMID:20231486 {source="Europe PMC"} xref: PMID:20843378 {source="Europe PMC"} xref: PMID:7777565 {source="Europe PMC"} xref: PMID:8421680 {source="Europe PMC"} xref: PMID:9446571 {source="Europe PMC"} xref: Reaxys:9789620 {source="Reaxys"} xref: Wikipedia:Differentiation-inducing_factor is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:33572 ! resorcinols is_a: CHEBI:64672 ! differentiation-inducing factor relationship: has_functional_parent CHEBI:90396 ! (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one relationship: has_role CHEBI:62488 ! signalling molecule relationship: is_conjugate_acid_of CHEBI:90397 ! 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUDQSRFCCHQIIU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.04256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O" xsd:string [Term] id: CHEBI:64600 name: C21-steroid hormone namespace: chebi_ontology def: "A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone." [] subset: 3_STAR synonym: "C21-steroid hormones" RELATED [ChEBI] is_a: CHEBI:26764 ! steroid hormone is_a: CHEBI:61313 ! C21-steroid [Term] id: CHEBI:64611 name: ether lipid namespace: chebi_ontology def: "A lipid similar in structure to a glycerolipid but in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage." [] subset: 3_STAR synonym: "ether glycerolipid" RELATED [ChEBI] synonym: "ether glycerolipids" RELATED [ChEBI] synonym: "ether lipids" RELATED [ChEBI] xref: PMID:21309516 {source="Europe PMC"} xref: PMID:22114698 {source="Europe PMC"} xref: PMID:22148427 {source="Europe PMC"} xref: PMID:22306069 {source="Europe PMC"} xref: PMID:22348073 {source="Europe PMC"} xref: PMID:22366205 {source="Europe PMC"} xref: PMID:22506086 {source="Europe PMC"} xref: PMID:22609598 {source="Europe PMC"} xref: Wikipedia:Ether_lipid is_a: CHEBI:18059 ! lipid is_a: CHEBI:52575 ! alkylglycerol [Term] id: CHEBI:64637 name: O-polysaccharide namespace: chebi_ontology alt_id: CHEBI:59542 def: "A repetitive glycan polysaccharide contained within a lipopolysaccharide (LPS). The O-antigen is attached to the core oligosaccharide, and comprises the outermost domain of the LPS molecule." [] subset: 3_STAR synonym: "O antigen" RELATED [SUBMITTER] synonym: "O polysaccharide" RELATED [ChEBI] synonym: "O-polysaccharides" RELATED [ChEBI] xref: PMID:27101383 {source="Europe PMC"} xref: PMID:27288973 {source="Europe PMC"} xref: PMID:27308202 {source="Europe PMC"} xref: PMID:27308210 {source="Europe PMC"} xref: PMID:27577896 {source="Europe PMC"} is_a: CHEBI:65212 ! polysaccharide derivative [Term] id: CHEBI:64641 name: divalent inorganic cation namespace: chebi_ontology def: "An inorganic cation with a valency of two." [] subset: 3_STAR is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:64645 name: amyloid-beta namespace: chebi_ontology alt_id: CHEBI:53002 def: "A peptide of 36-43 amino acids that is processed from the amyloid precursor protein. Appears to be the main constituent of amyloid plaques (deposits found in the brains of Alzheimer's disease patients)." [] subset: 3_STAR synonym: "amyloid beta" RELATED [SUBMITTER] synonym: "beta amyloid" RELATED [ChEBI] synonym: "beta-amyloid" RELATED [ChEBI] synonym: "beta-amyloids" RELATED [ChEBI] xref: KEGG:C16514 xref: KEGG:C16515 xref: PMID:21892760 {source="Europe PMC"} xref: PMID:22226401 {source="Europe PMC"} xref: PMID:22457725 {source="Europe PMC"} xref: PMID:22459190 {source="Europe PMC"} xref: PMID:22561032 {source="Europe PMC"} xref: PMID:22569063 {source="Europe PMC"} xref: Wikipedia:Beta_amyloid is_a: CHEBI:15841 ! polypeptide [Term] id: CHEBI:64670 name: EC 1.8.1.9 (thioredoxin reductase) inhibitor namespace: chebi_ontology def: "An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of thioredoxin reductase (EC 1.8.1.9)." [] subset: 3_STAR synonym: "EC 1.8.1.9 (thioredoxin reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.8.1.9 inhibitor" RELATED [ChEBI] synonym: "EC 1.8.1.9 inhibitors" RELATED [ChEBI] synonym: "NADP-thioredoxin reductase inhibitor" RELATED [ChEBI] synonym: "NADP-thioredoxin reductase inhibitors" RELATED [ChEBI] synonym: "NADPH-thioredoxin reductase inhibitor" RELATED [ChEBI] synonym: "NADPH-thioredoxin reductase inhibitors" RELATED [ChEBI] synonym: "NADPH2:oxidized thioredoxin oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADPH2:oxidized thioredoxin oxidoreductase inhibitors" RELATED [ChEBI] synonym: "thioredoxin reductase (EC 1.8.1.9) inhibitor" RELATED [ChEBI] synonym: "thioredoxin reductase (EC 1.8.1.9) inhibitors" RELATED [ChEBI] synonym: "thioredoxin reductase (NADPH) inhibitor" RELATED [ChEBI] synonym: "thioredoxin reductase (NADPH) inhibitors" RELATED [ChEBI] synonym: "thioredoxin reductase inhibitor" RELATED [ChEBI] synonym: "thioredoxin reductase inhibitors" RELATED [ChEBI] synonym: "thioredoxin-disulfide reductase inhibitor" RELATED [ChEBI] synonym: "thioredoxin-disulfide reductase inhibitors" RELATED [ChEBI] synonym: "thioredoxin:NADP+ oxidoreductase inhibitor" RELATED [ChEBI] synonym: "thioredoxin:NADP+ oxidoreductase inhibitors" RELATED [ChEBI] synonym: "TrxR inhibitor" RELATED [ChEBI] synonym: "TrxR inhibitors" RELATED [ChEBI] xref: Wikipedia:Thioredoxin_reductase is_a: CHEBI:76869 ! EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:64672 name: differentiation-inducing factor namespace: chebi_ontology def: "An aromatic ketone that is penta- or hexaphenone bearing chloro, hydroxy and methoxy substituents on the benzene ring. A class of effector molecules isolated from Dictyostelium discoideum." [] subset: 3_STAR synonym: "differentiation-inducing factors" RELATED [ChEBI] xref: Wikipedia:Differentiation-inducing_factor is_a: CHEBI:33853 ! phenols is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:51683 ! methoxybenzenes is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:35224 ! effector [Term] id: CHEBI:64678 name: anthracycline cation namespace: chebi_ontology def: "An organic cation obtained by protonation of any anthracycline." [] subset: 3_STAR synonym: "anthracycline cations" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:48120 ! anthracycline [Term] id: CHEBI:64682 name: metronidazole(1+) namespace: chebi_ontology def: "An organic cation resulting from the addition of a proton to metronidazole." [] subset: 3_STAR is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:6909 ! metronidazole property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAOCPAMSLUNLGC-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.16190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.07167" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H+].Cc1ncc(n1CCO)[N+]([O-])=O" xsd:string [Term] id: CHEBI:64708 name: one-carbon compound namespace: chebi_ontology def: "An organic molecular entity containing a single carbon atom (C1)." [] subset: 3_STAR synonym: "one-carbon compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64709 name: organic acid namespace: chebi_ontology def: "Any organic molecular entity that is acidic and contains carbon in covalent linkage." [] subset: 3_STAR synonym: "organic acids" RELATED [ChEBI] is_a: CHEBI:72544 ! flavonoids property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64712 name: trivalent inorganic cation namespace: chebi_ontology def: "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of three." [] subset: 3_STAR is_a: CHEBI:36915 ! inorganic cation [Term] id: CHEBI:6472 name: lincomycin namespace: chebi_ontology def: "A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis." [] subset: 3_STAR synonym: "Cillimycin" RELATED [ChemIDplus] synonym: "lincomicina" RELATED INN [ChemIDplus] synonym: "Lincomycin" EXACT [KEGG_COMPOUND] synonym: "lincomycin" RELATED INN [WHO_MedNet] synonym: "lincomycine" RELATED INN [ChemIDplus] synonym: "lincomycinum" RELATED INN [ChemIDplus] synonym: "methyl 6,8-dideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-erythro-alpha-D-galacto-octopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl 6,8-dideoxy-6-trans-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-D-erythro-alpha-D-galacto-octopyranoside" RELATED [NIST_Chemistry_WebBook] xref: CAS:154-21-2 {source="KEGG COMPOUND"} xref: CAS:154-21-2 {source="ChemIDplus"} xref: Drug_Central:1582 {source="DrugCentral"} xref: DrugBank:DB01627 xref: HMDB:HMDB0015564 xref: KEGG:C06812 xref: KEGG:C14002 xref: KEGG:D00223 xref: KEGG:D02346 xref: LINCS:LSM-5602 xref: PMID:24324587 {source="Europe PMC"} xref: Reaxys:707677 {source="Reaxys"} xref: Wikipedia:Lincomycin is_a: CHEBI:23007 ! carbohydrate-containing antibiotic is_a: CHEBI:35275 ! S-glycosyl compound is_a: CHEBI:46770 ! pyrrolidinecarboxamide is_a: CHEBI:84186 ! L-proline derivative relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34N2O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OJMMVQQUTAEWLP-KIDUDLJLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.53700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "406.21376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:64755 name: EDTA(2-) namespace: chebi_ontology def: "A tetracarboxylic acid anion formed by deprotonation of two of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA)." [] subset: 3_STAR synonym: "2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate" RELATED [IUPAC] synonym: "2,2',2'',2'''-(ethane-1,2-diyldiazaniumyl)tetraacetate" EXACT IUPAC_NAME [IUPAC] synonym: "EDTA" RELATED [UniProt] xref: MetaCyc:EDTA is_a: CHEBI:35754 ! tetracarboxylic acid anion relationship: is_conjugate_acid_of CHEBI:63131 ! EDTA(3-) relationship: is_conjugate_base_of CHEBI:4735 ! ethylenediaminetetraacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCXVZYZYPLLWCC-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.22680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.07611" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O" xsd:string [Term] id: CHEBI:64763 name: EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor namespace: chebi_ontology def: "An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of phosphatidylinositol-specific phospholipase C (EC 3.1.4.11)." [] subset: 3_STAR synonym: "1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor" RELATED [ChEBI] synonym: "1-phosphatidyl-1D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors" RELATED [ChEBI] synonym: "1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitor" RELATED [ChEBI] synonym: "1-phosphatidyl-D-myo-inositol-4,5-bisphosphate inositoltrisphosphohydrolase inhibitors" RELATED [ChEBI] synonym: "1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitor" RELATED [ChEBI] synonym: "1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.4.11 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.4.11 inhibitors" RELATED [ChEBI] synonym: "monophosphatidylinositol phosphodiesterase inhibitor" RELATED [ChEBI] synonym: "monophosphatidylinositol phosphodiesterase inhibitors" RELATED [ChEBI] synonym: "phosphatidylinositol phospholipase C inhibitor" RELATED [ChEBI] synonym: "phosphatidylinositol phospholipase C inhibitors" RELATED [ChEBI] synonym: "phosphatidylinositol-specific phospholipase C inhibitor" RELATED [ChEBI] synonym: "phosphatidylinositol-specific phospholipase C inhibitors" RELATED [ChEBI] synonym: "phosphoinositidase C inhibitor" RELATED [ChEBI] synonym: "phosphoinositidase C inhibitors" RELATED [ChEBI] synonym: "phosphoinositide phospholipase C (EC 3.1.4.11) inhibitor" RELATED [ChEBI] synonym: "phosphoinositide phospholipase C (EC 3.1.4.11) inhibitors" RELATED [ChEBI] synonym: "phosphoinositide phospholipase C inhibitor" RELATED [ChEBI] synonym: "phosphoinositide phospholipase C inhibitors" RELATED [ChEBI] synonym: "PI-PLC inhibitor" RELATED [ChEBI] synonym: "PI-PLC inhibitors" RELATED [ChEBI] synonym: "triphosphoinositide phosphodiesterase inhibitor" RELATED [ChEBI] synonym: "triphosphoinositide phosphodiesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Phosphatidylinositol-specific_phospholipase_C is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor [Term] id: CHEBI:64816 name: doxorubicin(1+) namespace: chebi_ontology def: "An anthracycline cation that is the conjugate acid of doxorubicin, arising from protonation of the amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "doxorubicin" RELATED [UniProt] synonym: "doxorubicin cation" RELATED [ChEBI] xref: Reaxys:5898339 {source="Reaxys"} is_a: CHEBI:64678 ! anthracycline cation relationship: is_conjugate_acid_of CHEBI:28748 ! doxorubicin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H30NO11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AOJJSUZBOXZQNB-TZSSRYMLSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "544.52720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "544.18134" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO" xsd:string [Term] id: CHEBI:6482 name: linuron namespace: chebi_ontology def: "A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3." [] subset: 3_STAR synonym: "1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea" RELATED [ChemIDplus] synonym: "3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea" EXACT IUPAC_NAME [IUPAC] synonym: "3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea" RELATED [NIST_Chemistry_WebBook] synonym: "N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea" RELATED [NIST_Chemistry_WebBook] xref: CAS:330-55-2 {source="KEGG COMPOUND"} xref: CAS:330-55-2 {source="NIST Chemistry WebBook"} xref: CAS:330-55-2 {source="ChemIDplus"} xref: KEGG:C11007 xref: Pesticides:linuron {source="Alan Wood's Pesticides"} xref: PMID:23586778 {source="Europe PMC"} xref: PMID:24410802 {source="Europe PMC"} xref: PMID:25238184 {source="Europe PMC"} xref: PPDB:419 xref: Reaxys:2128725 {source="Reaxys"} is_a: CHEBI:134043 ! phenylureas is_a: CHEBI:23697 ! dichlorobenzene relationship: has_functional_parent CHEBI:44383 ! N-methyl urea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10Cl2N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XKJMBINCVNINCA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.09400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "248.01193" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:64857 name: cosmetic namespace: chebi_ontology def: "The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it." [] subset: 3_STAR synonym: "cosmetic component" RELATED [ChEBI] synonym: "cosmetics" RELATED [ChEBI] xref: Wikipedia:Cosmetics is_a: CHEBI:33232 ! application [Term] id: CHEBI:64909 name: poison namespace: chebi_ontology def: "Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism." [] subset: 3_STAR synonym: "poisonous agent" RELATED [ChEBI] synonym: "poisonous agents" RELATED [ChEBI] synonym: "poisonous substance" RELATED [ChEBI] synonym: "poisonous substances" RELATED [ChEBI] synonym: "poisons" RELATED [ChEBI] synonym: "toxic agent" RELATED [ChEBI] synonym: "toxic agents" RELATED [ChEBI] synonym: "toxic substance" RELATED [ChEBI] synonym: "toxic substances" RELATED [ChEBI] xref: Wikipedia:Poison is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:64911 name: antimitotic namespace: chebi_ontology def: "Any compound that inhibits cell division (mitosis)." [] subset: 3_STAR synonym: "antimitotics" RELATED [ChEBI] synonym: "mitosis inhibitor" RELATED [ChEBI] synonym: "mitosis inhibitors" RELATED [ChEBI] synonym: "mitotic inhibitor" RELATED [ChEBI] synonym: "mitotic inhibitors" RELATED [ChEBI] xref: Wikipedia:Mitotic_inhibitor is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:64912 name: antimycobacterial drug namespace: chebi_ontology def: "A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy." [] subset: 3_STAR synonym: "antimycobacterial agent" RELATED [ChEBI] synonym: "antimycobacterial agents" RELATED [ChEBI] synonym: "antimycobacterial drugs" RELATED [ChEBI] synonym: "antimycobacterials" RELATED [ChEBI] synonym: "antimycobacterium" RELATED [ChEBI] is_a: CHEBI:36047 ! antibacterial drug [Term] id: CHEBI:64915 name: antiplasmodial drug namespace: chebi_ontology def: "An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria." [] subset: 3_STAR synonym: "antiplasmodial agent" RELATED [ChEBI] synonym: "antiplasmodial agents" RELATED [ChEBI] synonym: "antiplasmodial drugs" RELATED [ChEBI] synonym: "antiplasmodium agent" RELATED [ChEBI] synonym: "antiplasmodium agents" RELATED [ChEBI] synonym: "antiplasmodium drug" RELATED [ChEBI] synonym: "antiplasmodium drugs" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:64926 name: serine protease inhibitor namespace: chebi_ontology def: "Any protease inhibitor that restricts the action of a serine protease." [] subset: 3_STAR synonym: "serine protease inhibitors" RELATED [ChEBI] synonym: "serine proteinase inhibitor" RELATED [ChEBI] synonym: "serine proteinase inhibitors" RELATED [ChEBI] is_a: CHEBI:37670 ! protease inhibitor [Term] id: CHEBI:64946 name: anti-HIV agent namespace: chebi_ontology def: "An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus." [] subset: 3_STAR synonym: "anti-AIDS agent" RELATED [ChEBI] synonym: "anti-AIDS agents" RELATED [ChEBI] synonym: "anti-HIV agents" RELATED [ChEBI] is_a: CHEBI:22587 ! antiviral agent [Term] id: CHEBI:6495 name: lipoprotein namespace: chebi_ontology def: "A clathrate complex consisting of a lipid enwrapped in a protein host without covalent binding in such a way that the complex has a hydrophilic outer surface consisting of all the protein and the polar ends of any phospholipids." [] subset: 3_STAR synonym: "Lipoprotein" EXACT [KEGG_COMPOUND] synonym: "lipoprotein particle" RELATED [ChEBI] synonym: "lipoproteins" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01834 is_a: CHEBI:33837 ! conjugated protein is_a: CHEBI:39024 ! clathrate compound relationship: has_part CHEBI:39015 ! apolipoprotein relationship: has_role CHEBI:76971 ! Escherichia coli metabolite property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:64952 name: anti-HSV agent namespace: chebi_ontology def: "An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus)." [] subset: 3_STAR synonym: "anti-herpes simplex virus agent" RELATED [ChEBI] synonym: "anti-herpes simplex virus agents" RELATED [ChEBI] synonym: "anti-HHV agent" RELATED [ChEBI] synonym: "anti-HHV agents" RELATED [ChEBI] synonym: "anti-HSV agents" RELATED [ChEBI] synonym: "anti-human herpes virus agent" RELATED [ChEBI] synonym: "anti-human herpes virus agents" RELATED [ChEBI] xref: Wikipedia:Herpes_simplex_virus is_a: CHEBI:22587 ! antiviral agent [Term] id: CHEBI:64953 name: anti-HSV-1 agent namespace: chebi_ontology def: "An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1." [] subset: 3_STAR synonym: "anti-HHV-1 agent" RELATED [ChEBI] synonym: "anti-HHV-1 agents" RELATED [ChEBI] synonym: "anti-HHV-I agent" RELATED [ChEBI] synonym: "anti-HHV-I agents" RELATED [ChEBI] synonym: "anti-HSV-1 agents" RELATED [ChEBI] synonym: "anti-HSV-I agent" RELATED [ChEBI] synonym: "anti-HSV-I agents" RELATED [ChEBI] synonym: "anti-human herpes virus-1 agent" RELATED [ChEBI] synonym: "anti-human herpes virus-1 agents" RELATED [ChEBI] synonym: "anti-human herpes virus-I agent" RELATED [ChEBI] synonym: "anti-human herpes virus-I agents" RELATED [ChEBI] is_a: CHEBI:64952 ! anti-HSV agent [Term] id: CHEBI:64964 name: EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor namespace: chebi_ontology def: "A lipoxygenase inhibitor that interferes with the action of arachidonate 5-lipoxygenase (EC 1.13.11.34)." [] subset: 3_STAR synonym: "5-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "5-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "5-LOX inhibitor" RELATED [ChEBI] synonym: "5-LOX inhibitors" RELATED [ChEBI] synonym: "5delta-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "5delta-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitor" RELATED [ChEBI] synonym: "arachidonate 5-lipoxygenase (EC 1.13.11.34) inhibitors" RELATED [ChEBI] synonym: "arachidonate 5-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "arachidonate 5-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "arachidonic 5-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "arachidonic 5-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "arachidonic acid 5-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "arachidonic acid 5-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "C-5-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "C-5-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "delta(5)-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "delta(5)-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.34 inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.34 inhibitors" RELATED [ChEBI] synonym: "leukotriene A4 synthase inhibitor" RELATED [ChEBI] synonym: "leukotriene A4 synthase inhibitors" RELATED [ChEBI] synonym: "leukotriene-A4 synthase inhibitor" RELATED [ChEBI] synonym: "leukotriene-A4 synthase inhibitors" RELATED [ChEBI] synonym: "LTA synthase inhibitor" RELATED [ChEBI] synonym: "LTA synthase inhibitors" RELATED [ChEBI] is_a: CHEBI:35856 ! lipoxygenase inhibitor [Term] id: CHEBI:64996 name: EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor namespace: chebi_ontology def: "A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33)." [] subset: 3_STAR synonym: "15-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "15-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "15-LOX inhibitor" RELATED [ChEBI] synonym: "15-LOX inhibitors" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitor" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase (EC 1.13.11.33) inhibitors" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "arachidonate 15-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "arachidonate:oxygen 15-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "arachidonate:oxygen 15-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.33 inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.33 inhibitors" RELATED [ChEBI] synonym: "linoleic acid omega(6)-lipoxygenase inhibitor" RELATED [ChEBI] synonym: "linoleic acid omega(6)-lipoxygenase inhibitors" RELATED [ChEBI] synonym: "omega(6) lipoxygenase inhibitor" RELATED [ChEBI] synonym: "omega(6) lipoxygenase inhibitors" RELATED [ChEBI] xref: Wikipedia:ALOX15 is_a: CHEBI:35856 ! lipoxygenase inhibitor [Term] id: CHEBI:65001 name: EC 3.1.1.3 (triacylglycerol lipase) inhibitor namespace: chebi_ontology def: "Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3)." [] subset: 3_STAR synonym: "butyrinase inhibitor" RELATED [ChEBI] synonym: "butyrinase inhibitors" RELATED [ChEBI] synonym: "cacordase inhibitor" RELATED [ChEBI] synonym: "cacordase inhibitors" RELATED [ChEBI] synonym: "capalase L inhibitor" RELATED [ChEBI] synonym: "capalase L inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.3 (triacylglycerol lipase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.3 inhibitors" RELATED [ChEBI] synonym: "GEH inhibitor" RELATED [ChEBI] synonym: "GEH inhibitors" RELATED [ChEBI] synonym: "glycerol ester hydrolase inhibitor" RELATED [ChEBI] synonym: "glycerol ester hydrolase inhibitors" RELATED [ChEBI] synonym: "glycerol-ester hydrolase inhibitor" RELATED [ChEBI] synonym: "glycerol-ester hydrolase inhibitors" RELATED [ChEBI] synonym: "heparin releasable hepatic lipase inhibitor" RELATED [ChEBI] synonym: "heparin releasable hepatic lipase inhibitors" RELATED [ChEBI] synonym: "hepatic lipase inhibitor" RELATED [ChEBI] synonym: "hepatic lipase inhibitors" RELATED [ChEBI] synonym: "hepatic monoacylglycerol acyltransferase inhibitor" RELATED [ChEBI] synonym: "hepatic monoacylglycerol acyltransferase inhibitors" RELATED [ChEBI] synonym: "lipase inhibitor" RELATED [ChEBI] synonym: "lipase inhibitors" RELATED [ChEBI] synonym: "lipazin inhibitor" RELATED [ChEBI] synonym: "lipazin inhibitors" RELATED [ChEBI] synonym: "liver lipase inhibitor" RELATED [ChEBI] synonym: "liver lipase inhibitors" RELATED [ChEBI] synonym: "pancreatic lipase inhibitor" RELATED [ChEBI] synonym: "pancreatic lipase inhibitors" RELATED [ChEBI] synonym: "pancreatic triacylglycerol lipase inhibitor" RELATED [ChEBI] synonym: "pancreatic triacylglycerol lipase inhibitors" RELATED [ChEBI] synonym: "post-heparin plasma protamine-resistant lipase inhibitor" RELATED [ChEBI] synonym: "post-heparin plasma protamine-resistant lipase inhibitors" RELATED [ChEBI] synonym: "PPL inhibitor" RELATED [ChEBI] synonym: "PPL inhibitors" RELATED [ChEBI] synonym: "salt-resistant post-heparin lipase inhibitor" RELATED [ChEBI] synonym: "salt-resistant post-heparin lipase inhibitors" RELATED [ChEBI] synonym: "steapsin inhibitor" RELATED [ChEBI] synonym: "steapsin inhibitors" RELATED [ChEBI] synonym: "triacetinase inhibitor" RELATED [ChEBI] synonym: "triacetinase inhibitors" RELATED [ChEBI] synonym: "triacylglycerol ester hydrolase inhibitor" RELATED [ChEBI] synonym: "triacylglycerol ester hydrolase inhibitors" RELATED [ChEBI] synonym: "triacylglycerol lipase (EC 3.1.1.3) inhibitor" RELATED [ChEBI] synonym: "triacylglycerol lipase (EC 3.1.1.3) inhibitors" RELATED [ChEBI] synonym: "triacylglycerol lipase inhibitor" RELATED [ChEBI] synonym: "triacylglycerol lipase inhibitors" RELATED [ChEBI] synonym: "tributyrase inhibitor" RELATED [ChEBI] synonym: "tributyrase inhibitors" RELATED [ChEBI] synonym: "tributyrin esterase inhibitor" RELATED [ChEBI] synonym: "tributyrin esterase inhibitors" RELATED [ChEBI] synonym: "tributyrinase inhibitor" RELATED [ChEBI] synonym: "tributyrinase inhibitors" RELATED [ChEBI] synonym: "triglyceridase inhibitor" RELATED [ChEBI] synonym: "triglyceridase inhibitors" RELATED [ChEBI] synonym: "triglyceride hydrolase inhibitor" RELATED [ChEBI] synonym: "triglyceride hydrolase inhibitors" RELATED [ChEBI] synonym: "triglyceride lipase inhibitor" RELATED [ChEBI] synonym: "triglyceride lipase inhibitors" RELATED [ChEBI] synonym: "triolein hydrolase inhibitor" RELATED [ChEBI] synonym: "triolein hydrolase inhibitors" RELATED [ChEBI] synonym: "Tween hydrolase inhibitor" RELATED [ChEBI] synonym: "Tween hydrolase inhibitors" RELATED [ChEBI] synonym: "tween-hydrolysing esterase inhibitor" RELATED [ChEBI] synonym: "tween-hydrolyzing esterase inhibitors" RELATED [ChEBI] synonym: "Tweenase inhibitor" RELATED [ChEBI] synonym: "Tweenase inhibitors" RELATED [ChEBI] synonym: "Tweenesterase inhibitor" RELATED [ChEBI] synonym: "Tweenesterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:65023 name: anti-asthmatic agent namespace: chebi_ontology def: "Any compound that has anti-asthmatic effects." [] subset: 3_STAR synonym: "anti-asthmatic agents" RELATED [ChEBI] synonym: "antiasthmatic agent" RELATED [ChEBI] synonym: "antiasthmatic agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:6504 name: lithium carbonate namespace: chebi_ontology subset: 3_STAR synonym: "carbonic acid, dilithium salt" RELATED [ChemIDplus] synonym: "dilithium carbonate" RELATED [NIST_Chemistry_WebBook] synonym: "dilithium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "Li2CO3" RELATED [IUPAC] synonym: "Lithium carbonate" EXACT [KEGG_COMPOUND] synonym: "lithium carbonate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3999191 {source="Beilstein"} xref: CAS:554-13-2 {source="KEGG COMPOUND"} xref: CAS:554-13-2 {source="ChemIDplus"} xref: CAS:554-13-2 {source="NIST Chemistry WebBook"} xref: Gmelin:1123452 {source="Gmelin"} xref: Gmelin:23965 {source="Gmelin"} xref: KEGG:C07964 xref: KEGG:D00801 xref: Wikipedia:Lithium_Carbonate is_a: CHEBI:35478 ! lithium salt is_a: CHEBI:46721 ! carbonate salt relationship: has_role CHEBI:35477 ! antimanic drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CLi2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3.2Li" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XGZVUEUWXADBQD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.89090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.01675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+].[Li+].[O-]C([O-])=O" xsd:string [Term] id: CHEBI:65053 name: EC 4.1.1.19 (arginine decarboxylase) inhibitor namespace: chebi_ontology def: "An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of arginine decarboxylase (EC 4.1.1.19)." [] subset: 3_STAR synonym: "ADC inhibitor" RELATED [ChEBI] synonym: "ADC inhibitors" RELATED [ChEBI] synonym: "arginine decarboxylase (EC 4.1.1.19) inhibitor" RELATED [ChEBI] synonym: "arginine decarboxylase (EC 4.1.1.19) inhibitors" RELATED [ChEBI] synonym: "arginine decarboxylase inhibitor" RELATED [ChEBI] synonym: "arginine decarboxylase inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.19 (arginine decarboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 4.1.1.19 inhibitors" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase (agmatine-forming) inhibitor" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase (agmatine-forming) inhibitors" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase inhibitor" RELATED [ChEBI] synonym: "L-arginine carboxy-lyase inhibitors" RELATED [ChEBI] synonym: "SpeA inhibitor" RELATED [ChEBI] synonym: "SpeA inhibitors" RELATED [ChEBI] is_a: CHEBI:76906 ! EC 4.1.1.* (carboxy-lyase) inhibitor [Term] id: CHEBI:65056 name: EC 3.1.3.11 (fructose-bisphosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of fructose-bisphosphatase (EC 3.1.3.11)." [] subset: 3_STAR synonym: "D-fructose 1,6-diphosphatase inhibitor" RELATED [ChEBI] synonym: "D-fructose 1,6-diphosphatase inhibitors" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate 1-phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "D-fructose-1,6-bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.11 (fructose-bisphosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.11 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.11 inhibitors" RELATED [ChEBI] synonym: "FBPase inhibitor" RELATED [ChEBI] synonym: "FBPase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate 1-phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate 1-phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-diphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-diphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose 1,6-diphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose 1,6-diphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose bisphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose bisphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose diphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose diphosphatase inhibitors" RELATED [ChEBI] synonym: "fructose diphosphate phosphatase inhibitor" RELATED [ChEBI] synonym: "fructose diphosphate phosphatase inhibitors" RELATED [ChEBI] synonym: "fructose-bisphosphatase (EC 3.1.3.11) inhibitor" RELATED [ChEBI] synonym: "fructose-bisphosphatase (EC 3.1.3.11) inhibitors" RELATED [ChEBI] synonym: "fructose-bisphosphatase inhibitor" RELATED [ChEBI] synonym: "fructose-bisphosphatase inhibitors" RELATED [ChEBI] synonym: "hexose bisphosphatase inhibitor" RELATED [ChEBI] synonym: "hexose bisphosphatase inhibitors" RELATED [ChEBI] synonym: "hexose diphosphatase inhibitor" RELATED [ChEBI] xref: Wikipedia:Fructose_1\,6-bisphosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:65057 name: adenosine A1 receptor agonist namespace: chebi_ontology def: "An agonist at the A1 receptor." [] subset: 3_STAR synonym: "adenosine A1 receptor agonists" RELATED [ChEBI] xref: Wikipedia:Adenosine_A1_receptor is_a: CHEBI:73311 ! adenosine receptor agonist [Term] id: CHEBI:65064 name: EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor namespace: chebi_ontology def: "An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of cyclopropane fatty acid synthase (EC 2.1.1.79)." [] subset: 3_STAR synonym: "CFA synthase inhibitor" RELATED [ChEBI] synonym: "CFA synthase inhibitors" RELATED [ChEBI] synonym: "cyclopropane fatty acid synthase inhibitors" RELATED [ChEBI] synonym: "cyclopropane fatty acid synthetase inhibitor" RELATED [ChEBI] synonym: "cyclopropane fatty acid synthetase inhibitors" RELATED [ChEBI] synonym: "cyclopropane synthase inhibitor" RELATED [ChEBI] synonym: "cyclopropane synthase inhibitors" RELATED [ChEBI] synonym: "cyclopropane synthetase inhibitor" RELATED [ChEBI] synonym: "cyclopropane synthetase inhibitors" RELATED [ChEBI] synonym: "cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitor" RELATED [ChEBI] synonym: "cyclopropane-fatty-acyl-phospholipid synthase (EC 2.1.1.79) inhibitors" RELATED [ChEBI] synonym: "cyclopropane-fatty-acyl-phospholipid synthase inhibitor" RELATED [ChEBI] synonym: "cyclopropane-fatty-acyl-phospholipid synthase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.79 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.79 inhibitors" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitor" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclising) inhibitors" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitor" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:unsaturated-phospholipid methyltransferase (cyclizing) inhibitors" RELATED [ChEBI] synonym: "unsaturated-phospholipid methyltransferase inhibitor" RELATED [ChEBI] synonym: "unsaturated-phospholipid methyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] id: CHEBI:65065 name: EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor namespace: chebi_ontology def: "An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of site-specific DNA-methyltransferase (adenine-specific), EC 2.1.1.72." [] subset: 3_STAR synonym: "Dam inhibitor" RELATED [ChEBI] synonym: "Dam inhibitors" RELATED [ChEBI] synonym: "DNA adenine methyltransferase inhibitor" RELATED [ChEBI] synonym: "DNA adenine methyltransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.72 (site-specific DNA-methyltransferase (adenine-specific)) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.72 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.72 inhibitors" RELATED [ChEBI] synonym: "modification methylase inhibitor" RELATED [ChEBI] synonym: "modification methylase inhibitors" RELATED [ChEBI] synonym: "restriction-modification system inhibitor" RELATED [ChEBI] synonym: "restriction-modification system inhibitors" RELATED [ChEBI] synonym: "site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitor" RELATED [ChEBI] synonym: "site-specific DNA-methyltransferase (adenine-specific) (EC 2.1.1.72) inhibitors" RELATED [ChEBI] synonym: "site-specific DNA-methyltransferase (adenine-specific) inhibitor" RELATED [ChEBI] synonym: "site-specific DNA-methyltransferase (adenine-specific) inhibitors" RELATED [ChEBI] is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] id: CHEBI:65172 name: ximelagatran namespace: chebi_ontology def: "A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage." [] subset: 3_STAR synonym: "ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate" RELATED [ChEBI] synonym: "ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate" EXACT IUPAC_NAME [IUPAC] synonym: "Exanta" RELATED [SUBMITTER] synonym: "Exarta" RELATED [SUBMITTER] synonym: "H 376-95" RELATED [ChemIDplus] synonym: "H 376/95" RELATED [ChemIDplus] synonym: "H 37695" RELATED [ChemIDplus] synonym: "ximelagatran" RELATED INN [WHO_MedNet] synonym: "ximelagatran (oxime form)" RELATED [ChEBI] synonym: "ximelagatranum" RELATED INN [WHO_MedNet] xref: CAS:192939-46-1 {source="KEGG DRUG"} xref: CAS:192939-46-1 {source="ChemIDplus"} xref: Drug_Central:2852 {source="DrugCentral"} xref: DrugBank:DB04898 {source="SUBMITTER"} xref: KEGG:D01981 {source="SUBMITTER"} xref: PMID:12846595 {source="Europe PMC"} xref: PMID:15487959 {source="Europe PMC"} xref: PMID:16084146 {source="Europe PMC"} xref: PMID:16106594 {source="Europe PMC"} xref: PMID:16123912 {source="Europe PMC"} xref: PMID:16511607 {source="Europe PMC"} xref: PMID:16767816 {source="Europe PMC"} xref: PMID:17319469 {source="Europe PMC"} xref: PMID:17636192 {source="Europe PMC"} xref: PMID:19028773 {source="Europe PMC"} xref: PMID:20020269 {source="Europe PMC"} xref: PMID:28338626 {source="Europe PMC"} xref: Reaxys:14559655 {source="Reaxys"} xref: Wikipedia:Ximelagatran is_a: CHEBI:140325 ! secondary carboxamide is_a: CHEBI:140326 ! tertiary carboxamide is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:38777 ! azetidines is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:65234 ! amidoxime relationship: has_functional_parent CHEBI:43966 ! melagatran relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:64926 ! serine protease inhibitor relationship: has_role CHEBI:65232 ! EC 3.4.21.5 (thrombin) inhibitor relationship: is_tautomer_of CHEBI:136702 ! ximelagatran (hydroxylamine form) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H35N5O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXIBCJHYVWYIKI-PZJWPPBQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "473.56520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "473.26382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CCN1C(=O)[C@H](NCC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=NO" xsd:string [Term] id: CHEBI:65173 name: iloperidone namespace: chebi_ontology def: "A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia." [] subset: 3_STAR synonym: "1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone" EXACT IUPAC_NAME [IUPAC] synonym: "1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone" RELATED [ChEBI] synonym: "4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone" RELATED [ChemIDplus] synonym: "Fanapt" RELATED BRAND_NAME [SUBMITTER] synonym: "Fanapta" RELATED BRAND_NAME [SUBMITTER] synonym: "iloperidona" RELATED INN [WHO_MedNet] synonym: "iloperidone" RELATED INN [WHO_MedNet] synonym: "iloperidonum" RELATED INN [WHO_MedNet] synonym: "Zomaril" RELATED BRAND_NAME [SUBMITTER] xref: CAS:133454-47-4 {source="SUBMITTER"} xref: CAS:133454-47-4 {source="ChemIDplus"} xref: Drug_Central:3294 {source="DrugCentral"} xref: KEGG:D02666 {source="SUBMITTER"} xref: LINCS:LSM-5598 xref: PMID:21289324 {source="Europe PMC"} xref: PMID:21474903 {source="Europe PMC"} xref: PMID:21600386 {source="Europe PMC"} xref: PMID:22161738 {source="Europe PMC"} xref: PMID:22217439 {source="Europe PMC"} xref: PMID:22453868 {source="Europe PMC"} xref: PMID:22465688 {source="Europe PMC"} xref: PMID:22617084 {source="Europe PMC"} xref: Reaxys:7233425 {source="Reaxys"} xref: Wikipedia:Iloperidone is_a: CHEBI:26151 ! piperidines is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:51545 ! 1,2-benzoxazoles is_a: CHEBI:51867 ! methyl ketone is_a: CHEBI:63534 ! monoamine is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:65191 ! second generation antipsychotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H27FN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMXHEBAFVSFQEX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "426.48060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "426.19549" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O" xsd:string [Term] id: CHEBI:65190 name: first generation antipsychotic namespace: chebi_ontology def: "Antipsychotic drugs which can have different modes of action but which tend to be more likely than second generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements; such body movements can become permanent even after treatment has ceased." [] subset: 3_STAR synonym: "first generation antipsychotic agent" RELATED [ChEBI] synonym: "first generation antipsychotic agents" RELATED [ChEBI] synonym: "first generation antipsychotic drug" RELATED [ChEBI] synonym: "first generation antipsychotic drugs" RELATED [ChEBI] synonym: "first generation antipsychotics" RELATED [ChEBI] synonym: "typical antipsychotic" RELATED [ChEBI] synonym: "typical antipsychotic agent" RELATED [ChEBI] synonym: "typical antipsychotic agents" RELATED [ChEBI] synonym: "typical antipsychotic drug" RELATED [ChEBI] synonym: "typical antipsychotic drugs" RELATED [ChEBI] synonym: "typical antipsychotics" RELATED [ChEBI] xref: Wikipedia:Typical_antipsychotic is_a: CHEBI:35476 ! antipsychotic agent [Term] id: CHEBI:65191 name: second generation antipsychotic namespace: chebi_ontology def: "Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements." [] subset: 3_STAR synonym: "atypical antipsychotic" RELATED [ChEBI] synonym: "atypical antipsychotic agent" RELATED [ChEBI] synonym: "atypical antipsychotic agents" RELATED [ChEBI] synonym: "atypical antipsychotic drug" RELATED [ChEBI] synonym: "atypical antipsychotic drugs" RELATED [ChEBI] synonym: "atypical antipsychotics" RELATED [ChEBI] synonym: "second generation antipsychotic agent" RELATED [ChEBI] synonym: "second generation antipsychotic agents" RELATED [ChEBI] synonym: "second generation antipsychotic drug" RELATED [ChEBI] synonym: "second generation antipsychotic drugs" RELATED [ChEBI] synonym: "second generation antipsychotics" RELATED [ChEBI] is_a: CHEBI:35476 ! antipsychotic agent [Term] id: CHEBI:65212 name: polysaccharide derivative namespace: chebi_ontology def: "A carbohydrate derivative that is any derivative of a polysaccharide." [] subset: 3_STAR synonym: "polysaccharide derivatives" RELATED [ChEBI] is_a: CHEBI:167559 ! glycan is_a: CHEBI:33694 ! biomacromolecule is_a: CHEBI:63299 ! carbohydrate derivative relationship: has_functional_parent CHEBI:18154 ! polysaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:65232 name: EC 3.4.21.5 (thrombin) inhibitor namespace: chebi_ontology def: "An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of thrombin (EC 3.4.21.5)." [] subset: 3_STAR synonym: "activated blood-coagulation factor II inhibitor" RELATED [ChEBI] synonym: "activated blood-coagulation factor II inhibitors" RELATED [ChEBI] synonym: "beta-thrombin inhibitor" RELATED [ChEBI] synonym: "beta-thrombin inhibitors" RELATED [ChEBI] synonym: "blood-coagulation factor IIa inhibitor" RELATED [ChEBI] synonym: "blood-coagulation factor IIa inhibitors" RELATED [ChEBI] synonym: "E thrombin inhibitor" RELATED [ChEBI] synonym: "E thrombin inhibitors" RELATED [ChEBI] synonym: "EC 3.4.21.5 (thrombin) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.21.5 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.21.5 inhibitors" RELATED [ChEBI] synonym: "factor IIa inhibitor" RELATED [ChEBI] synonym: "factor IIa inhibitors" RELATED [ChEBI] synonym: "fibrinogenase inhibitor" RELATED [ChEBI] synonym: "fibrinogenase inhibitors" RELATED [ChEBI] synonym: "gamma-thrombin inhibitor" RELATED [ChEBI] synonym: "gamma-thrombin inhibitors" RELATED [ChEBI] synonym: "thrombase inhibitor" RELATED [ChEBI] synonym: "thrombase inhibitors" RELATED [ChEBI] synonym: "thrombin (EC 3.4.21.5) inhibitor" RELATED [ChEBI] synonym: "thrombin (EC 3.4.21.5) inhibitors" RELATED [ChEBI] synonym: "thrombin inhibitor" RELATED [ChEBI] synonym: "thrombin inhibitors" RELATED [ChEBI] synonym: "thrombin-C inhibitor" RELATED [ChEBI] synonym: "thrombin-C inhibitors" RELATED [ChEBI] synonym: "thrombofort inhibitor" RELATED [ChEBI] synonym: "thrombofort inhibitors" RELATED [ChEBI] synonym: "tropostasin inhibitor" RELATED [ChEBI] synonym: "tropostasin inhibitors" RELATED [ChEBI] is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor [Term] id: CHEBI:65234 name: amidoxime namespace: chebi_ontology def: "Amidines of general formula RC(=NOH)NR(1)R(2), in which the imino nitrogen is substituted by a hydroxy group." [] subset: 3_STAR synonym: "amidoximes" RELATED [ChEBI] is_a: CHEBI:2634 ! amidine [Term] id: CHEBI:65255 name: food preservative namespace: chebi_ontology def: "Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes." [] subset: 3_STAR synonym: "food preservatives" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:65256 name: antimicrobial food preservative namespace: chebi_ontology def: "A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299)." [] subset: 3_STAR synonym: "antimicrobial food preservatives" RELATED [ChEBI] synonym: "antimicrobial preservative" RELATED [ChEBI] synonym: "antimicrobial preservatives" RELATED [ChEBI] is_a: CHEBI:33281 ! antimicrobial agent is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:65259 name: GABA antagonist namespace: chebi_ontology def: "A compound that inhibits the action of gamma-aminobutyric acid." [] subset: 3_STAR synonym: "GABA antagonists" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonist" RELATED [ChEBI] synonym: "gamma-aminobutyric acid receptor antagonists" RELATED [ChEBI] xref: Wikipedia:GABA_antagonist is_a: CHEBI:48706 ! antagonist is_a: CHEBI:51374 ! GABA agent [Term] id: CHEBI:65265 name: antacid namespace: chebi_ontology def: "Any substance which is used to neutralise stomach acidity." [] subset: 3_STAR synonym: "antacids" RELATED [ChEBI] xref: Wikipedia:Antacid is_a: CHEBI:23888 ! drug is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:65296 name: primary ammonium ion namespace: chebi_ontology def: "An ammonium ion derivative resulting from the protonation of the nitrogen atom of a primary amino compound. Major species at pH 7.3." [] subset: 3_STAR synonym: "a primary amine" RELATED [UniProt] synonym: "substituted ammonium" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:50994 ! primary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3NR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "17.031" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][*]" xsd:string [Term] id: CHEBI:65311 name: corticotropin-releasing hormone namespace: chebi_ontology def: "A family of peptide hormones derived from a 191-membered prehormone, secreted by the paraventricular nucleus (PVN) of the hypothalamus in response to stress. The first full sequence was discovered in sheep, those in rats and humans differ from the ovine sequence by 7 amino acids." [] subset: 3_STAR synonym: "corticotropin-releasing factor" RELATED [ChEBI] synonym: "CRH" RELATED [ChEBI] xref: PMID:22494987 {source="Europe PMC"} xref: PMID:6267699 {source="Europe PMC"} xref: Wikipedia:Corticotropin-releasing_hormone is_a: CHEBI:15841 ! polypeptide is_a: CHEBI:25905 ! peptide hormone is_a: CHEBI:33694 ! biomacromolecule relationship: has_role CHEBI:25512 ! neurotransmitter [Term] id: CHEBI:65321 name: terpenoid indole alkaloid namespace: chebi_ontology def: "An indole alkaloid which is biosynthesised from L-tryptophan and isoprenoid building blocks." [] subset: 3_STAR synonym: "terpenoid indole alkaloids" RELATED [ChEBI] is_a: CHEBI:38958 ! indole alkaloid [Term] id: CHEBI:65323 name: monoterpenoid indole alkaloid namespace: chebi_ontology def: "A terpenoid indole alkaloid which is biosynthesised from L-tryptophan and diisoprenoid (usually secolaganin) building blocks." [] subset: 3_STAR synonym: "monoterpenoid indole alkaloids" RELATED [ChEBI] xref: PMID:18280746 {source="Europe PMC"} xref: PMID:20717879 {source="Europe PMC"} xref: PMID:21425787 {source="Europe PMC"} xref: PMID:22679912 {source="Europe PMC"} is_a: CHEBI:65321 ! terpenoid indole alkaloid [Term] id: CHEBI:6541 name: losartan namespace: chebi_ontology def: "A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position" [] subset: 3_STAR synonym: "(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol" EXACT IUPAC_NAME [IUPAC] synonym: "(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol" RELATED [IUPAC] synonym: "2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole" RELATED [IUPHAR] synonym: "Losartan" EXACT [KEGG_COMPOUND] synonym: "losartan" RELATED INN [ChemIDplus] xref: Beilstein:4770867 {source="Beilstein"} xref: CAS:114798-26-4 {source="ChemIDplus"} xref: CAS:114798-26-4 {source="KEGG COMPOUND"} xref: Drug_Central:1610 {source="DrugCentral"} xref: DrugBank:DB00678 xref: HMDB:HMDB0014816 xref: KEGG:C07072 xref: KEGG:D08146 xref: LINCS:LSM-3701 xref: Patent:EP253310 xref: Patent:US5138069 xref: PMID:11115412 {source="Europe PMC"} xref: PMID:11589260 {source="Europe PMC"} xref: PMID:12561964 {source="Europe PMC"} xref: PMID:15703421 {source="Europe PMC"} xref: PMID:18800450 {source="Europe PMC"} xref: PMID:18800451 {source="Europe PMC"} xref: PMID:18800458 {source="Europe PMC"} xref: PMID:18940180 {source="Europe PMC"} xref: PMID:31299855 {source="Europe PMC"} xref: PMID:31613648 {source="Europe PMC"} xref: PMID:31636311 {source="Europe PMC"} xref: PMID:31893179 {source="Europe PMC"} xref: PMID:32048541 {source="Europe PMC"} xref: Reaxys:4770867 {source="Reaxys"} xref: Wikipedia:Losartan is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:48420 ! biphenylyltetrazole relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:51451 ! endothelin receptor antagonist relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: is_conjugate_acid_of CHEBI:149504 ! losartan(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H22ClN6O.K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H23ClN6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PSIFNNKUMBGKDQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "422.91100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "422.16219" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1" xsd:string [Term] id: CHEBI:6651 name: malathion namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites." [] subset: 3_STAR synonym: "[(dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "carbophos" RELATED [NIST_Chemistry_WebBook] synonym: "diethyl ((dimethoxyphosphinothioyl)thio)butanedioate" RELATED [ChEBI] synonym: "diethyl (dimethoxyphosphinothioylthio)succinate" RELATED [ChemIDplus] synonym: "diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]butanedioate" RELATED [ChEBI] synonym: "Karbofos" RELATED [ChemIDplus] synonym: "Malathion" EXACT [KEGG_COMPOUND] synonym: "Maldison" RELATED [NIST_Chemistry_WebBook] synonym: "mercaptothion" RELATED [NIST_Chemistry_WebBook] synonym: "O,O-dimethyl S-(1,2-bis(ethoxycarbonyl)ethyl)" RELATED [ChemIDplus] synonym: "O,O-dimethyl S-(1,2-dicarbethoxyethyl) dithiophosphate" RELATED [ChemIDplus] synonym: "O,O-dimethyl S-(1,2-dicarbethoxyethyl)phosphorodithioate" RELATED [ChemIDplus] synonym: "O,O-dimethyl S-1,2-di(ethoxycarbamyl)ethyl" RELATED [ChemIDplus] synonym: "O,O-dimethyldithiophosphate diethylmercaptosuccinate" RELATED [ChemIDplus] synonym: "rac-diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1804525 {source="ChemIDplus"} xref: CAS:121-75-5 {source="KEGG COMPOUND"} xref: CAS:121-75-5 {source="ChemIDplus"} xref: CAS:121-75-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:1626 {source="DrugCentral"} xref: DrugBank:DB00772 xref: KEGG:C07497 xref: KEGG:D00534 xref: PMID:16083681 {source="Europe PMC"} xref: PMID:19399610 {source="Europe PMC"} xref: PMID:28950791 {source="Europe PMC"} xref: PMID:29235025 {source="Europe PMC"} xref: PMID:29792547 {source="Europe PMC"} xref: PMID:29852369 {source="Europe PMC"} xref: Reaxys:1804525 {source="Reaxys"} xref: Wikipedia:Malathion is_a: CHEBI:25715 ! organothiophosphate insecticide is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:141475 ! (R)-malathion relationship: has_part CHEBI:141476 ! (S)-malathion relationship: has_role CHEBI:136644 ! proinsecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:38706 ! pediculicide relationship: has_role CHEBI:73333 ! scabicide [Term] id: CHEBI:66873 name: C4-dicarboxylic acid namespace: chebi_ontology def: "Any dicarboxylic acid that contains four carbon atoms." [] subset: 3_STAR synonym: "C4-dicarboxylic acids" RELATED [ChEBI] is_a: CHEBI:35692 ! dicarboxylic acid relationship: is_conjugate_acid_of CHEBI:61336 ! C4-dicarboxylate [Term] id: CHEBI:66891 name: 5-nitro-o-toluidine namespace: chebi_ontology def: "A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine." [] subset: 3_STAR synonym: "1-Amino-2-methyl-5-nitrobenzene" RELATED [ChemIDplus] synonym: "2-Amino-4-nitrotoluene" RELATED [ChemIDplus] synonym: "2-Methyl-5-nitro-benzeneamine" RELATED [ChemIDplus] synonym: "2-methyl-5-nitroaniline" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methyl-5-nitrobenzenamine" RELATED [ChemIDplus] synonym: "3-Nitro-6-methylaniline" RELATED [ChemIDplus] synonym: "4-Nitro-2-aminotoluene" RELATED [ChemIDplus] synonym: "5-Nitro-2-methylaniline" RELATED [ChemIDplus] synonym: "5-Nitro-2-toluidine" RELATED [ChemIDplus] synonym: "5-Nitro-o-toluidine" EXACT [KEGG_COMPOUND] synonym: "6-Methyl-3-nitroaniline" RELATED [ChemIDplus] synonym: "o-amino-p-nitrotoluene" RELATED [ChEBI] xref: CAS:99-55-8 {source="KEGG COMPOUND"} xref: CAS:99-55-8 {source="ChemIDplus"} xref: CAS:99-55-8 {source="NIST Chemistry WebBook"} xref: KEGG:C16398 xref: PMID:1650428 {source="Europe PMC"} xref: Reaxys:879021 {source="Reaxys"} is_a: CHEBI:35716 ! C-nitro compound relationship: has_functional_parent CHEBI:66892 ! o-toluidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DSBIJCMXAIKKKI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.15060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.05858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(cc1N)[N+]([O-])=O" xsd:string [Term] id: CHEBI:66892 name: o-toluidine namespace: chebi_ontology def: "An aminotoluene in which the amino substituent is ortho to the methyl group." [] subset: 3_STAR synonym: "1-Amino-2-methylbenzene" RELATED [ChemIDplus] synonym: "1-Methyl-2-aminobenzene" RELATED [ChemIDplus] synonym: "2-Amino-1-methylbenzene" RELATED [ChemIDplus] synonym: "2-Aminotoluene" RELATED [KEGG_COMPOUND] synonym: "2-Aminotoluene" RELATED [ChemIDplus] synonym: "2-Methyl-1-aminobenzene" RELATED [ChemIDplus] synonym: "2-methylaniline" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methylbenzamine" RELATED [ChemIDplus] synonym: "2-Methylbenzenamine" RELATED [ChemIDplus] synonym: "2-Toluidine" RELATED [ChemIDplus] synonym: "o-Aminotoluene" RELATED [ChemIDplus] synonym: "o-Methylaniline" RELATED [ChemIDplus] synonym: "o-Methylbenzenamine" RELATED [ChemIDplus] synonym: "o-Toluidine" EXACT [KEGG_COMPOUND] synonym: "o-Tolylamine" RELATED [ChemIDplus] xref: CAS:95-53-4 {source="ChemIDplus"} xref: CAS:95-53-4 {source="NIST Chemistry WebBook"} xref: CAS:95-53-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0041965 xref: KEGG:C14403 xref: PMID:21117897 {source="Europe PMC"} xref: PMID:21320752 {source="Europe PMC"} xref: PMID:21701861 {source="Europe PMC"} xref: PMID:22004833 {source="Europe PMC"} xref: PMID:22574454 {source="Europe PMC"} xref: PMID:22708702 {source="Europe PMC"} xref: PMID:22799188 {source="Europe PMC"} xref: Reaxys:741981 {source="Reaxys"} is_a: CHEBI:22531 ! aminotoluene relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H9N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RNVCVTLRINQCPJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.15310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.07350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1N" xsd:string [Term] id: CHEBI:66916 name: alanine zwitterion namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3." [] subset: 3_STAR synonym: "2-ammoniopropanoate" RELATED [IUPAC] synonym: "2-azaniumylpropanoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16449 ! alanine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:66956 name: antidyskinesia agent namespace: chebi_ontology def: "Any compound which can be used to treat or alleviate the symptoms of dyskinesia." [] subset: 3_STAR synonym: "antidyskinesia agents" RELATED [ChEBI] synonym: "antidyskinesia drug" RELATED [ChEBI] synonym: "antidyskinesia drugs" RELATED [ChEBI] synonym: "antidyskinetic agent" RELATED [ChEBI] synonym: "antidyskinetic agents" RELATED [ChEBI] synonym: "antidyskinetic drug" RELATED [ChEBI] synonym: "antidyskinetic drugs" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:66980 name: nootropic agent namespace: chebi_ontology def: "Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration." [] subset: 3_STAR synonym: "cognitive enhancer" RELATED [ChEBI] synonym: "cognitive enhancers" RELATED [ChEBI] synonym: "intelligence enhancer" RELATED [ChEBI] synonym: "intelligence enhancers" RELATED [ChEBI] synonym: "memory enhancer" RELATED [ChEBI] synonym: "memory enhancers" RELATED [ChEBI] synonym: "neuro enhancer" RELATED [ChEBI] synonym: "neuro enhancers" RELATED [ChEBI] synonym: "nootropic" RELATED [ChEBI] synonym: "nootropic agents" RELATED [ChEBI] synonym: "nootropic drug" RELATED [ChEBI] synonym: "nootropic drugs" RELATED [ChEBI] synonym: "nootropics" RELATED [ChEBI] synonym: "smart drug" RELATED [ChEBI] synonym: "smart drugs" RELATED [ChEBI] xref: PMID:22393531 {source="Europe PMC"} xref: PMID:22647316 {source="Europe PMC"} xref: PMID:22742585 {source="Europe PMC"} xref: PMID:22795553 {source="Europe PMC"} xref: PMID:22828638 {source="Europe PMC"} xref: PMID:22837964 {source="Europe PMC"} xref: Wikipedia:Nootropic is_a: CHEBI:23888 ! drug [Term] id: CHEBI:66987 name: radiation protective agent namespace: chebi_ontology def: "Any compound that is able to protect normal cells from the damage caused by radiation therapy." [] subset: 3_STAR synonym: "radiation mitigation agent" RELATED [ChEBI] synonym: "radiation mitigation agents" RELATED [ChEBI] synonym: "radiation protective agents" RELATED [ChEBI] synonym: "radiation protective drug" RELATED [ChEBI] synonym: "radiation protective drugs" RELATED [ChEBI] synonym: "radioprotective agent" RELATED [ChEBI] synonym: "radioprotective agents" RELATED [ChEBI] synonym: "radioprotector" RELATED [ChEBI] synonym: "radioprotectors" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:66991 name: sympatholytic agent namespace: chebi_ontology def: "Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS)." [] subset: 3_STAR synonym: "sympatholytic" RELATED [ChEBI] synonym: "sympatholytic agents" RELATED [ChEBI] synonym: "sympatholytic drug" RELATED [ChEBI] synonym: "sympatholytic drugs" RELATED [ChEBI] synonym: "sympatholytics" RELATED [ChEBI] xref: Wikipedia:Sympatholytic is_a: CHEBI:37962 ! adrenergic agent [Term] id: CHEBI:66993 name: tocolytic agent namespace: chebi_ontology def: "Any compound used to suppress premature labour and immature birth by suppressing uterine contractions." [] subset: 3_STAR synonym: "anti-contraction drug" RELATED [ChEBI] synonym: "anti-contraction drugs" RELATED [ChEBI] synonym: "anti-contraction medication" RELATED [ChEBI] synonym: "anti-contraction medications" RELATED [ChEBI] synonym: "labour repressant" RELATED [ChEBI] synonym: "labour repressants" RELATED [ChEBI] synonym: "tocolytic" RELATED [ChEBI] synonym: "tocolytic agents" RELATED [ChEBI] synonym: "tocolytic drug" RELATED [ChEBI] synonym: "tocolytic drugs" RELATED [ChEBI] synonym: "tocolytics" RELATED [ChEBI] xref: Wikipedia:Tocolytic is_a: CHEBI:50689 ! reproductive control drug [Term] id: CHEBI:67011 name: folates namespace: chebi_ontology def: "An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid." [] subset: 3_STAR synonym: "folate" RELATED [ChEBI] synonym: "folate anion" RELATED [ChEBI] synonym: "folate anions" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 is_a: CHEBI:59874 ! N-acyl-L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:37445 ! folic acids [Term] id: CHEBI:67012 name: L-dopa(1-) namespace: chebi_ontology def: "A L-alpha-amino acid anion which is the conjugate base of L-dopa, obtained by deprotonation of the carboxy group: major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-dopa carboxylate" RELATED [ChEBI] is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: has_role CHEBI:77746 ! human metabolite relationship: is_conjugate_base_of CHEBI:15765 ! L-dopa property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/p-1/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WTDRDQBEARUVNC-LURJTMIESA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.18000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.06153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc(O)c(O)c1)C([O-])=O" xsd:string [Term] id: CHEBI:67013 name: methyl-branched fatty acid anion namespace: chebi_ontology def: "Any branched-chain fatty acid anion containing methyl branches only." [] subset: 3_STAR synonym: "methyl-branched fatty acid anions" RELATED [ChEBI] is_a: CHEBI:58955 ! branched-chain fatty acid anion relationship: is_conjugate_base_of CHEBI:62499 ! methyl-branched fatty acid [Term] id: CHEBI:67016 name: tetrahydrofolate namespace: chebi_ontology def: "A folate obtained by deprotonation of any tetrahydrofolic acid." [] subset: 3_STAR synonym: "tetrahydrofolate anion" RELATED [ChEBI] synonym: "tetrahydrofolate anions" RELATED [ChEBI] synonym: "tetrahydrofolates" RELATED [ChEBI] is_a: CHEBI:67011 ! folates relationship: is_conjugate_base_of CHEBI:26907 ! tetrahydrofolic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:67052 name: glyphosate(2-) namespace: chebi_ontology def: "An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups of glyphosate." [] subset: 3_STAR synonym: "glyphosate anion(2-)" RELATED [ChEBI] synonym: "{[(hydroxyphosphinato)methyl]amino}acetate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:58945 ! organophosphate oxoanion relationship: is_conjugate_base_of CHEBI:133673 ! glyphosate(1-) relationship: is_conjugate_base_of CHEBI:27744 ! glyphosate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO5P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDDAORKBJWWYJS-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.05720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.99946" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])(=O)CNCC([O-])=O" xsd:string [Term] id: CHEBI:67072 name: cannabinoid receptor agonist namespace: chebi_ontology def: "An agonist that binds to and activates cannabinoid receptors." [] subset: 3_STAR synonym: "cannabinoid receptor agonists" RELATED [ChEBI] xref: Wikipedia:Cannabinoid_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:67079 name: anti-inflammatory agent namespace: chebi_ontology def: "Any compound that has anti-inflammatory effects." [] subset: 3_STAR synonym: "anti-inflammatory agents" RELATED [ChEBI] synonym: "antiinflammatory agent" RELATED [ChEBI] synonym: "antiinflammatory agents" RELATED [ChEBI] is_a: CHEBI:33232 ! application [Term] id: CHEBI:67105 name: insect sterilant namespace: chebi_ontology def: "A chemosterilant intended to sterilize insects." [] subset: 3_STAR synonym: "insect chemosterilant" RELATED [ChEBI] synonym: "insect chemosterilants" RELATED [ChEBI] synonym: "insect sterilants" RELATED [ChEBI] is_a: CHEBI:23092 ! chemosterilant is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:67114 name: ryanodine receptor agonist namespace: chebi_ontology def: "A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction." [] subset: 3_STAR synonym: "ryanodine receptor activator" RELATED [ChEBI] synonym: "ryanodine receptor activators" RELATED [ChEBI] synonym: "RyR activator" RELATED [ChEBI] synonym: "RyR activators" RELATED [ChEBI] synonym: "RyR agonist" RELATED [ChEBI] synonym: "RyR agonists" RELATED [ChEBI] synonym: "RyRs activator" RELATED [ChEBI] synonym: "RyRs agonist" RELATED [ChEBI] xref: PMID:30679133 {source="Europe PMC"} xref: PMID:30684528 {source="Europe PMC"} xref: PMID:31840405 {source="Europe PMC"} xref: PMID:8597061 {source="Europe PMC"} xref: Wikipedia:Ryanodine_receptor is_a: CHEBI:38809 ! ryanodine receptor modulator [Term] id: CHEBI:67142 name: nucleobase analogue namespace: chebi_ontology def: "A molecule that can substitute for a normal nucleobase in nucleic acids." [] subset: 3_STAR synonym: "base analog" RELATED [ChEBI] synonym: "base analogs" RELATED [ChEBI] synonym: "base analogue" RELATED [ChEBI] synonym: "base analogues" RELATED [ChEBI] synonym: "nucleobase analog" RELATED [ChEBI] synonym: "nucleobase analogs" RELATED [ChEBI] synonym: "nucleobase analogues" RELATED [ChEBI] xref: Wikipedia:Base_analog is_a: CHEBI:33832 ! organic cyclic compound [Term] id: CHEBI:6717 name: mefenamic acid namespace: chebi_ontology def: "An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis." [] subset: 3_STAR synonym: "2-[(2,3-dimethylphenyl)amino]benzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide mefenamique" RELATED INN [WHO_MedNet] synonym: "acido mefenamico" RELATED INN [WHO_MedNet] synonym: "acidum mefenamicum" RELATED INN [ChemIDplus] synonym: "CI-473" RELATED [ChemIDplus] synonym: "CN 35355" RELATED [ChemIDplus] synonym: "CN-35355" RELATED [ChemIDplus] synonym: "INF 3355" RELATED [ChemIDplus] synonym: "INF-3355" RELATED [ChemIDplus] synonym: "mefenamic acid" RELATED INN [ChemIDplus] synonym: "Mefenaminsaeure" RELATED [ChemIDplus] synonym: "N-(2,3-xylyl)-2-aminobenzoic acid" RELATED [ChemIDplus] synonym: "N-2,3-xylylanthranilic acid" RELATED [ChemIDplus] synonym: "Ponstel" RELATED BRAND_NAME [KEGG_DRUG] xref: CAS:61-68-7 {source="ChemIDplus"} xref: CAS:61-68-7 {source="KEGG COMPOUND"} xref: CAS:61-68-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:1663 {source="DrugCentral"} xref: DrugBank:DB00784 xref: HMDB:HMDB0014922 xref: KEGG:C02168 xref: KEGG:D00151 xref: LINCS:LSM-4085 xref: Patent:BE605302 xref: Patent:US3138636 xref: PDBeChem:ID8 xref: PMID:14001132 {source="Europe PMC"} xref: PMID:17330662 {source="Europe PMC"} xref: PMID:22275128 {source="Europe PMC"} xref: PMID:22369458 {source="Europe PMC"} xref: PMID:23402341 {source="Europe PMC"} xref: PMID:23494912 {source="Europe PMC"} xref: PMID:23656341 {source="Europe PMC"} xref: PMID:2684858 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:3304401 {source="Europe PMC"} xref: PMID:4212650 {source="Europe PMC"} xref: PMID:425903 {source="Europe PMC"} xref: PMID:4916242 {source="Europe PMC"} xref: PMID:5286553 {source="Europe PMC"} xref: PMID:577447 {source="Europe PMC"} xref: PMID:6155061 {source="Europe PMC"} xref: Reaxys:2216243 {source="Reaxys"} xref: Wikipedia:Mefenamic_acid is_a: CHEBI:22495 ! aminobenzoic acid is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H15NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYYBABOKPJLUIN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "241.28510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "241.11028" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(Nc2ccccc2C(O)=O)c1C" xsd:string [Term] id: CHEBI:67189 name: EC 3.4.24.3 (microbial collagenase) inhibitor namespace: chebi_ontology def: "An EC 3.4.24.* (metalloendopeptidase) inhibitor which interferes with the action of microbial collagenase (EC 3.4.24.3, also formerly EC 3.4.4.19 and EC 3.4.99.5)." [] subset: 3_STAR synonym: "Achromobacter iophagus collagenase inhibitor" RELATED [ChEBI] synonym: "Achromobacter iophagus collagenase inhibitors" RELATED [ChEBI] synonym: "aspergillopeptidase C inhibitor" RELATED [ChEBI] synonym: "aspergillopeptidase C inhibitors" RELATED [ChEBI] synonym: "azocollase inhibitor" RELATED [ChEBI] synonym: "azocollase inhibitors" RELATED [ChEBI] synonym: "clostridiopeptidase A inhibitor" RELATED [ChEBI] synonym: "clostridiopeptidase A inhibitors" RELATED [ChEBI] synonym: "clostridiopeptidase I inhibitor" RELATED [ChEBI] synonym: "clostridiopeptidase I inhibitors" RELATED [ChEBI] synonym: "clostridiopeptidase II inhibitor" RELATED [ChEBI] synonym: "clostridiopeptidase II inhibitors" RELATED [ChEBI] synonym: "Clostridium histolyticum collagenase inhibitor" RELATED [ChEBI] synonym: "Clostridium histolyticum collagenase inhibitors" RELATED [ChEBI] synonym: "Clostridium histolyticum proteinase A inhibitor" RELATED [ChEBI] synonym: "Clostridium histolyticum proteinase A inhibitors" RELATED [ChEBI] synonym: "collagen peptidase inhibitor" RELATED [ChEBI] synonym: "collagen peptidase inhibitors" RELATED [ChEBI] synonym: "collagen protease inhibitor" RELATED [ChEBI] synonym: "collagen protease inhibitors" RELATED [ChEBI] synonym: "collagenase A inhibitor" RELATED [ChEBI] synonym: "collagenase A inhibitors" RELATED [ChEBI] synonym: "collagenase I inhibitor" RELATED [ChEBI] synonym: "collagenase I inhibitors" RELATED [ChEBI] synonym: "collagenase inhibitor" RELATED [ChEBI] synonym: "collagenase inhibitors" RELATED [ChEBI] synonym: "collagenase MMP-1 inhibitor" RELATED [ChEBI] synonym: "collagenase MMP-1 inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.3 (microbial collagenase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.3 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.24.3 inhibitors" RELATED [ChEBI] synonym: "interstitial collagenase inhibitor" RELATED [ChEBI] synonym: "interstitial collagenase inhibitors" RELATED [ChEBI] synonym: "kollaza inhibitor" RELATED [ChEBI] synonym: "kollaza inhibitors" RELATED [ChEBI] synonym: "matrix metalloproteinase-1 inhibitor" RELATED [ChEBI] synonym: "matrix metalloproteinase-1 inhibitors" RELATED [ChEBI] synonym: "matrix metalloproteinase-18 inhibitor" RELATED [ChEBI] synonym: "matrix metalloproteinase-18 inhibitors" RELATED [ChEBI] synonym: "matrix metalloproteinase-8 inhibitor" RELATED [ChEBI] synonym: "matrix metalloproteinase-8 inhibitors" RELATED [ChEBI] synonym: "metallocollagenase inhibitor" RELATED [ChEBI] synonym: "metallocollagenase inhibitors" RELATED [ChEBI] synonym: "metalloproteinase-1 inhibitor" RELATED [ChEBI] synonym: "metalloproteinase-1 inhibitors" RELATED [ChEBI] synonym: "microbial collagenase (EC 3.4.24.3) inhibitor" RELATED [ChEBI] synonym: "microbial collagenase (EC 3.4.24.3) inhibitors" RELATED [ChEBI] synonym: "microbial collagenase inhibitor" RELATED [ChEBI] synonym: "microbial collagenase inhibitors" RELATED [ChEBI] synonym: "MMP-1 inhibitor" RELATED [ChEBI] synonym: "MMP-1 inhibitors" RELATED [ChEBI] synonym: "MMP-8 inhibitor" RELATED [ChEBI] synonym: "MMP-8 inhibitors" RELATED [ChEBI] synonym: "nucleolysin inhibitor" RELATED [ChEBI] synonym: "nucleolysin inhibitors" RELATED [ChEBI] synonym: "soycollagestin inhibitor" RELATED [ChEBI] synonym: "soycollagestin inhibitors" RELATED [ChEBI] is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor [Term] id: CHEBI:67194 name: cannabinoid namespace: chebi_ontology def: "A diverse group of pharmacologically active secondary metabolite characteristic to Cannabis plant as well as produced naturally in the body by humans and animals. Cannabinoids contain oxygen as a part of the heterocyclic ring or in the form of various functional groups. They are subdivided on the basis of their origin." [] subset: 3_STAR synonym: "cannabinoids" RELATED [ChEBI] xref: PMID:22234284 {source="Europe PMC"} xref: PMID:22530636 {source="Europe PMC"} xref: PMID:22555283 {source="Europe PMC"} xref: Wikipedia:Cannabinoid is_a: CHEBI:36963 ! organooxygen compound relationship: has_role CHEBI:67072 ! cannabinoid receptor agonist [Term] id: CHEBI:67195 name: gap junctional intercellular communication inhibitor namespace: chebi_ontology def: "An inhibitor that interferes with the process of gap junctional intercellular communication." [] subset: 3_STAR synonym: "gap junctional intercellular communication inhibitors" RELATED [ChEBI] xref: Wikipedia:Gap_junction is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:67198 name: retinoic acid receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates a retinoic acid receptor." [] subset: 3_STAR synonym: "retinoic acid receptor agonists" RELATED [ChEBI] xref: Wikipedia:Retinoic_acid_receptor is_a: CHEBI:48705 ! agonist is_a: CHEBI:90708 ! retinoic acid receptor modulator [Term] id: CHEBI:67199 name: AP-1 antagonist namespace: chebi_ontology def: "An antogonist that interferes with the action of activator protein 1 (AP-1)." [] subset: 3_STAR synonym: "activator protein-1 antagonist" RELATED [ChEBI] synonym: "activator protein-1 antagonists" RELATED [ChEBI] synonym: "AP-1 antagonists" RELATED [ChEBI] xref: Wikipedia:Activator_protein_1 is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:67200 name: provitamin A namespace: chebi_ontology def: "A provitamin that can be converted into vitamin A by enzymes from animal tissues." [] subset: 3_STAR synonym: "provitamin As" RELATED [ChEBI] is_a: CHEBI:50188 ! provitamin [Term] id: CHEBI:67208 name: double-stranded RNA namespace: chebi_ontology def: "A ribonucleic acid with two complementary strands, similar to the DNA found in all cells." [] subset: 3_STAR synonym: "double stranded ribonucleic acid" RELATED [ChEBI] synonym: "dsRNA" RELATED [ChEBI] xref: Wikipedia:RNA#Double-stranded_RNA is_a: CHEBI:33697 ! ribonucleic acid [Term] id: CHEBI:67239 name: EC 3.2.1.20 (alpha-glucosidase) inhibitor namespace: chebi_ontology alt_id: CHEBI:50628 def: "An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20)." [] subset: 3_STAR synonym: "alpha-1,4-glucosidase inhibitor" RELATED [ChEBI] synonym: "alpha-1,4-glucosidase inhibitors" RELATED [ChEBI] synonym: "alpha-D-glucosidase inhibitor" RELATED [ChEBI] synonym: "alpha-D-glucosidase inhibitors" RELATED [ChEBI] synonym: "alpha-glucopyranosidase inhibitor" RELATED [ChEBI] synonym: "alpha-glucopyranosidase inhibitors" RELATED [ChEBI] synonym: "alpha-glucosidase (EC 3.2.1.20) inhibitor" RELATED [ChEBI] synonym: "alpha-glucosidase (EC 3.2.1.20) inhibitors" RELATED [ChEBI] synonym: "alpha-glucosidase inhibitor" RELATED [ChEBI] synonym: "alpha-glucosidase inhibitors" RELATED [ChEBI] synonym: "alpha-glucoside hydrolase inhibitor" RELATED [ChEBI] synonym: "alpha-glucoside hydrolase inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.20 (alpha-glucosidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.1.20 inhibitor" RELATED [ChEBI] synonym: "EC 3.2.1.20 inhibitors" RELATED [ChEBI] synonym: "glucoinvertase inhibitor" RELATED [ChEBI] synonym: "glucoinvertase inhibitors" RELATED [ChEBI] synonym: "glucosidoinvertase inhibitor" RELATED [ChEBI] synonym: "glucosidoinvertase inhibitors" RELATED [ChEBI] synonym: "glucosidosucrase inhibitor" RELATED [ChEBI] synonym: "glucosidosucrase inhibitors" RELATED [ChEBI] synonym: "maltase inhibitor" RELATED [ChEBI] synonym: "maltase inhibitors" RELATED [ChEBI] synonym: "maltase-glucoamylase inhibitor" RELATED [ChEBI] synonym: "maltase-glucoamylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Alpha-glucosidase_inhibitor is_a: CHEBI:52424 ! EC 3.2.1.* (glycosidase) inhibitor [Term] id: CHEBI:67265 name: beta-diketone namespace: chebi_ontology def: "A diketone in which the two keto groups are separated by a single carbon atom." [] subset: 3_STAR synonym: "1,3-diketone" RELATED [ChEBI] synonym: "1,3-diketones" RELATED [ChEBI] synonym: "beta-diketones" RELATED [ChEBI] is_a: CHEBI:46640 ! diketone property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:6790 name: metalaxyl namespace: chebi_ontology def: "A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops." [] subset: 3_STAR synonym: "(+-)-metalaxyl" RELATED [ChemIDplus] synonym: "(RS)-metalaxyl" RELATED [ChEBI] synonym: "D,L-N-(2,6-dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle" RELATED [ChemIDplus] synonym: "Metalaxyl" EXACT [KEGG_COMPOUND] synonym: "methyl 2-[(methoxyacetyl)-2,6-dimethylanilino]propanoate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate" RELATED [ChemIDplus] synonym: "N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester" RELATED [ChemIDplus] synonym: "rac-metalaxyl" RELATED [ChEBI] synonym: "rac-methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate" EXACT IUPAC_NAME [IUPAC] xref: CAS:57837-19-1 {source="KEGG COMPOUND"} xref: CAS:57837-19-1 {source="NIST Chemistry WebBook"} xref: CAS:57837-19-1 {source="ChemIDplus"} xref: HMDB:HMDB0031802 xref: KEGG:C10947 xref: Patent:DE2515091 xref: Patent:US4151299 xref: Pesticides:metalaxyl {source="Alan Wood's Pesticides"} xref: PMID:15620255 {source="Europe PMC"} xref: PMID:21315406 {source="Europe PMC"} xref: PMID:23242257 {source="Europe PMC"} xref: PMID:23277323 {source="Europe PMC"} xref: PMID:23452208 {source="Europe PMC"} xref: PMID:23635317 {source="Europe PMC"} xref: PMID:23722178 {source="Europe PMC"} xref: PMID:23768319 {source="Europe PMC"} xref: PMID:24080002 {source="Europe PMC"} xref: PMID:24174372 {source="Europe PMC"} xref: PMID:24302540 {source="Europe PMC"} xref: PMID:24791955 {source="Europe PMC"} xref: PMID:25044468 {source="Europe PMC"} xref: Reaxys:2947777 {source="Reaxys"} xref: Wikipedia:Metalaxyl is_a: CHEBI:60911 ! racemate is_a: CHEBI:87013 ! acylamino acid fungicide is_a: CHEBI:87015 ! anilide fungicide relationship: has_part CHEBI:60607 ! metalaxyl-M relationship: has_part CHEBI:82791 ! (S)-metalaxyl relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H21NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.332" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.14706" xsd:string [Term] id: CHEBI:6791 name: metamitron namespace: chebi_ontology def: "A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, a methyl group at position 3 and a phenyl group at position 6." [] subset: 3_STAR synonym: "4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "Goltix" RELATED [KEGG_COMPOUND] xref: CAS:41394-05-2 {source="ChemIDplus"} xref: CAS:41394-05-2 {source="KEGG COMPOUND"} xref: KEGG:C10930 xref: Pesticides:metamitron {source="Alan Wood's Pesticides"} xref: PMID:23135307 {source="Europe PMC"} xref: PMID:24240634 {source="Europe PMC"} xref: PPDB:448 xref: Reaxys:613129 {source="Reaxys"} is_a: CHEBI:39410 ! 1,2,4-triazines relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10N4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHCNQEUWZYOAEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "202.21260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "202.08546" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1nnc(-c2ccccc2)c(=O)n1N" xsd:string [Term] id: CHEBI:6798 name: metazachlor namespace: chebi_ontology def: "An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom." [] subset: 3_STAR synonym: "2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:67129-08-2 {source="NIST Chemistry WebBook"} xref: CAS:67129-08-2 {source="ChemIDplus"} xref: CAS:67129-08-2 {source="KEGG COMPOUND"} xref: KEGG:C10948 xref: Pesticides:metazachlor {source="Alan Wood's Pesticides"} xref: PMID:24500566 {source="Europe PMC"} xref: PMID:24630449 {source="Europe PMC"} xref: PMID:24646672 {source="Europe PMC"} xref: PPDB:450 xref: Reaxys:621550 {source="Reaxys"} is_a: CHEBI:26410 ! pyrazoles is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "STEPQTYSZVCJPV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "277.74900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "277.09819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl" xsd:string [Term] id: CHEBI:6801 name: metformin namespace: chebi_ontology def: "A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1." [] subset: 3_STAR synonym: "1,1-dimethylbiguanide" RELATED [ChemIDplus] synonym: "dimethylbiguanide" RELATED [ChemIDplus] synonym: "dimethyldiguanide" RELATED [ChemIDplus] synonym: "LA 6023" RELATED [DrugBank] synonym: "LA-6023" RELATED [ChemIDplus] synonym: "metformin" RELATED INN [WHO_MedNet] synonym: "metformina" RELATED INN [WHO_MedNet] synonym: "metformine" RELATED INN [WHO_MedNet] synonym: "metforminum" RELATED INN [WHO_MedNet] synonym: "N(1),N(1)-dimethylbiguanide" RELATED [ChemIDplus] synonym: "N,N-dimethylbiguanide" RELATED [ChemIDplus] synonym: "N,N-dimethyldiguanide" RELATED [ChemIDplus] synonym: "N,N-dimethylguanylguanidine" RELATED [DrugCentral] synonym: "N,N-dimethylimidodicarbonimidic diamide" RELATED [IUPAC] synonym: "N,N-dimethyltriimidodicarbonic diamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:657-24-9 {source="ChemIDplus"} xref: CAS:657-24-9 {source="KEGG COMPOUND"} xref: Drug_Central:1725 {source="DrugCentral"} xref: DrugBank:DB00331 xref: FooDB:FDB022739 xref: HMDB:HMDB0001921 xref: KEGG:C07151 xref: KEGG:D04966 xref: LINCS:LSM-4730 xref: PDBeChem:MF8 xref: PMID:10900588 {source="Europe PMC"} xref: PMID:10983737 {source="Europe PMC"} xref: PMID:10999803 {source="Europe PMC"} xref: PMID:11012555 {source="Europe PMC"} xref: PMID:11126815 {source="Europe PMC"} xref: PMID:11192132 {source="Europe PMC"} xref: PMID:11257323 {source="Europe PMC"} xref: PMID:11544610 {source="Europe PMC"} xref: PMID:11772907 {source="Europe PMC"} xref: PMID:12086935 {source="Europe PMC"} xref: PMID:12406042 {source="Europe PMC"} xref: PMID:12436333 {source="Europe PMC"} xref: PMID:12630933 {source="Europe PMC"} xref: PMID:12909816 {source="Europe PMC"} xref: PMID:15261814 {source="Europe PMC"} xref: PMID:15606381 {source="Europe PMC"} xref: PMID:15650645 {source="Europe PMC"} xref: PMID:15717887 {source="Europe PMC"} xref: PMID:15932841 {source="Europe PMC"} xref: PMID:16294070 {source="Europe PMC"} xref: PMID:16520442 {source="Europe PMC"} xref: PMID:16941277 {source="Europe PMC"} xref: PMID:17062558 {source="Europe PMC"} xref: PMID:18212742 {source="Europe PMC"} xref: PMID:18608522 {source="Europe PMC"} xref: PMID:23077661 {source="Europe PMC"} xref: PMID:23540700 {source="Europe PMC"} xref: PMID:24428821 {source="Europe PMC"} xref: PMID:28919040 {source="Europe PMC"} xref: PMID:31208831 {source="Europe PMC"} xref: PMID:33191721 {source="Europe PMC"} xref: Reaxys:606492 {source="Reaxys"} xref: Wikipedia:Metformin is_a: CHEBI:24436 ! guanidines relationship: has_functional_parent CHEBI:3095 ! biguanide relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35526 ! hypoglycemic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:90688 ! metformin(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H11N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XZWYZXLIPXDOLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "129.167" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "129.10145" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=N)NC(N)=N" xsd:string [Term] id: CHEBI:6802 name: metformin hydrochloride namespace: chebi_ontology alt_id: CHEBI:90684 def: "A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride." [] subset: 3_STAR synonym: "1,1-Dimethylbiguanide hydrochloride" RELATED [ChemIDplus] synonym: "1,1-Dimethylbiguanide monohydrochloride" RELATED [ChemIDplus] synonym: "Dimethylbiguanide hydrochloride" RELATED [ChemIDplus] synonym: "Glucophage" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Metformin HCl" RELATED [ChemIDplus] synonym: "Metformin monohydrochloride" RELATED [ChemIDplus] synonym: "Metiguanide monohydrochloride" RELATED [ChemIDplus] synonym: "N,N-Dimethylbiguanide hydrochloride" RELATED [ChemIDplus] synonym: "N,N-dimethylimidodicarbonimidic diamide hydrochloride" EXACT IUPAC_NAME [IUPAC] synonym: "N1,N1-Dimethylbiguanide" RELATED [ChemIDplus] xref: CAS:1115-70-4 {source="KEGG DRUG"} xref: CAS:1115-70-4 {source="ChemIDplus"} xref: DrugBank:DB00331 xref: KEGG:D00944 xref: PMID:24621340 {source="Europe PMC"} xref: PMID:25281145 {source="Europe PMC"} xref: PMID:25463179 {source="Europe PMC"} xref: PMID:25720824 {source="Europe PMC"} xref: PMID:25935176 {source="Europe PMC"} xref: PMID:25978011 {source="Europe PMC"} xref: PMID:26373206 {source="Europe PMC"} xref: PMID:26394019 {source="Europe PMC"} xref: PMID:26454593 {source="Europe PMC"} xref: Reaxys:3626131 {source="Reaxys"} xref: Wikipedia:Metformin is_a: CHEBI:36807 ! hydrochloride relationship: has_part CHEBI:90688 ! metformin(1+) relationship: has_role CHEBI:35526 ! hypoglycemic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OETHQSJEHLVLGH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.625" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07812" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NC(=N)N(C)C.Cl" xsd:string [Term] id: CHEBI:6804 name: methacholine namespace: chebi_ontology def: "A quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis." [] subset: 3_STAR synonym: "2-acetyloxy-N,N,N-trimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "Acetyl-beta-methylcholine" RELATED [KEGG_COMPOUND] synonym: "Acetylmethylcholine" RELATED [ChemIDplus] synonym: "MCh" RELATED [ChEBI] synonym: "Methacholine" EXACT [KEGG_COMPOUND] xref: Beilstein:1769932 {source="Beilstein"} xref: CAS:55-92-5 {source="KEGG COMPOUND"} xref: CAS:55-92-5 {source="ChemIDplus"} xref: Drug_Central:1726 {source="DrugCentral"} xref: DrugBank:DB06709 xref: KEGG:C07471 xref: LINCS:LSM-6405 xref: PMID:12128066 {source="Europe PMC"} xref: PMID:15275856 {source="Europe PMC"} xref: PMID:15694846 {source="Europe PMC"} xref: PMID:16477439 {source="Europe PMC"} xref: PMID:18775882 {source="Europe PMC"} xref: PMID:19589828 {source="Europe PMC"} xref: PMID:22826043 {source="Europe PMC"} xref: PMID:22981792 {source="Europe PMC"} xref: PMID:23429803 {source="Europe PMC"} xref: PMID:8124805 {source="Europe PMC"} xref: PMID:8420242 {source="Europe PMC"} xref: Wikipedia:Methacholine is_a: CHEBI:35267 ! quaternary ammonium ion is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38325 ! muscarinic agonist relationship: has_role CHEBI:50141 ! bronchoconstrictor agent relationship: has_role CHEBI:53000 ! epitope property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NZWOPGCLSHLLPA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "160.23406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "160.13321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C[N+](C)(C)C)OC(C)=O" xsd:string [Term] id: CHEBI:6807 name: methadone namespace: chebi_ontology def: "A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction." [] subset: 3_STAR synonym: "(+-)-methadone" RELATED [ChemIDplus] synonym: "(6RS)-6-(dimethylamino)-4,4-diphenylheptan-3-one" RELATED [IUPAC] synonym: "(RS)-methadone" RELATED [ChEBI] synonym: "dl-methadone" RELATED [NIST_Chemistry_WebBook] synonym: "metadona" RELATED INN [WHO_MedNet] synonym: "methadone" RELATED INN [WHO_MedNet] synonym: "methadonum" RELATED INN [WHO_MedNet] synonym: "rac-6-(dimethylamino)-4,4-diphenylheptan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "rac-6-dimethylamino-4,4-diphenyl-3-heptanone" RELATED [ChEBI] synonym: "racemic methadone" RELATED [ChEBI] xref: Beilstein:3213669 {source="Beilstein"} xref: CAS:76-99-3 {source="NIST Chemistry WebBook"} xref: CAS:76-99-3 {source="ChemIDplus"} xref: Chemspider:3953 xref: Drug_Central:1728 {source="DrugCentral"} xref: DrugBank:DB00333 xref: HMDB:HMDB0014477 xref: KEGG:C07163 xref: KEGG:D08195 xref: PMID:15106230 {source="Europe PMC"} xref: PMID:16097397 {source="Europe PMC"} xref: PMID:18628169 {source="Europe PMC"} xref: PMID:24117196 {source="Europe PMC"} xref: PMID:24157336 {source="Europe PMC"} xref: PMID:24489693 {source="Europe PMC"} xref: PMID:31262889 {source="Europe PMC"} xref: PMID:32302325 {source="Europe PMC"} xref: PMID:32530053 {source="Europe PMC"} xref: PMID:32564328 {source="Europe PMC"} xref: PMID:32586692 {source="Europe PMC"} xref: PMID:33323695 {source="Europe PMC"} xref: PMID:33428191 {source="Europe PMC"} xref: PMID:33432486 {source="Europe PMC"} xref: PMID:33454797 {source="Europe PMC"} xref: PMID:33475438 {source="Europe PMC"} xref: Reaxys:2221454 {source="Reaxys"} xref: Wikipedia:Methadone is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:136003 ! levomethadone relationship: has_part CHEBI:167308 ! dextromethadone relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.20926" xsd:string [Term] id: CHEBI:6809 name: methamphetamine namespace: chebi_ontology def: "A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent." [] subset: 3_STAR synonym: "(+)-(S)-N-alpha-dimethylphenethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "(2S)-N-methyl-1-phenylpropan-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "(alphaS)-N,alpha-dimethylbenzeneethanamine" RELATED [ChemIDplus] synonym: "(S)-N,alpha-dimethylbenzeneethanamine" RELATED [ChemIDplus] synonym: "d-1-phenyl-2-methylaminopropane" RELATED [ChemIDplus] synonym: "d-deoxyephedrine" RELATED [ChemIDplus] synonym: "d-desoxyephedrine" RELATED [ChemIDplus] synonym: "d-N-methylamphetamine" RELATED [ChemIDplus] synonym: "d-phenylisopropylmethylamine" RELATED [ChemIDplus] synonym: "dextromethamphetamine" RELATED [ChEBI] synonym: "metamfetamine" RELATED INN [WHO_MedNet] synonym: "metamfetaminum" RELATED INN [WHO_MedNet] synonym: "metanfetamina" RELATED INN [WHO_MedNet] synonym: "Methamphetamine" EXACT [KEGG_COMPOUND] synonym: "methyl-beta-phenylisopropylamine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2207147 {source="Beilstein"} xref: CAS:537-46-2 {source="NIST Chemistry WebBook"} xref: CAS:537-46-2 {source="KEGG COMPOUND"} xref: CAS:537-46-2 {source="ChemIDplus"} xref: Drug_Central:1732 {source="DrugCentral"} xref: DrugBank:DB01577 xref: HMDB:HMDB0015517 xref: KEGG:C07164 xref: KEGG:D08187 xref: PDBeChem:B40 xref: PMID:11221576 {source="Europe PMC"} xref: PMID:11406298 {source="Europe PMC"} xref: PMID:11711870 {source="Europe PMC"} xref: PMID:11717374 {source="Europe PMC"} xref: PMID:11829406 {source="Europe PMC"} xref: PMID:11831503 {source="Europe PMC"} xref: PMID:11847428 {source="Europe PMC"} xref: PMID:11896153 {source="Europe PMC"} xref: PMID:11984857 {source="Europe PMC"} xref: PMID:14645148 {source="Europe PMC"} xref: PMID:14769818 {source="Europe PMC"} xref: PMID:15380623 {source="Europe PMC"} xref: PMID:15542724 {source="Europe PMC"} xref: PMID:15542728 {source="Europe PMC"} xref: PMID:15808793 {source="Europe PMC"} xref: PMID:18279499 {source="Europe PMC"} xref: PMID:18509037 {source="Europe PMC"} xref: PMID:18521756 {source="Europe PMC"} xref: PMID:18991860 {source="Europe PMC"} xref: PMID:18991862 {source="Europe PMC"} xref: PMID:19269222 {source="Europe PMC"} xref: PMID:19384581 {source="Europe PMC"} xref: PMID:19576287 {source="Europe PMC"} xref: PMID:19732271 {source="Europe PMC"} xref: PMID:24349338 {source="Europe PMC"} xref: PMID:25724762 {source="Europe PMC"} xref: PMID:26302754 {source="Europe PMC"} xref: PMID:26541330 {source="Europe PMC"} xref: PMID:26568405 {source="Europe PMC"} xref: PMID:26683901 {source="Europe PMC"} xref: PMID:26775284 {source="Europe PMC"} xref: PMID:26992824 {source="Europe PMC"} xref: PMID:27232669 {source="Europe PMC"} xref: Reaxys:2207147 {source="Reaxys"} xref: Wikipedia:Methamphetamine is_a: CHEBI:32863 ! secondary amine is_a: CHEBI:35338 ! amphetamines relationship: has_functional_parent CHEBI:4469 ! (S)-amphetamine relationship: has_role CHEBI:35471 ! psychotropic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50910 ! neurotoxin relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:132297 ! methamphetamine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYWUZJCMWCOHBA-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.23284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.12045" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN[C@@H](C)Cc1ccccc1" xsd:string [Term] id: CHEBI:6824 name: hexamethylenetetramine namespace: chebi_ontology def: "A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms." [] subset: 3_STAR synonym: "1,3,5,7-tetraazaadamantane" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane" RELATED [IUPAC] synonym: "hexamethylenamine" RELATED [ChemIDplus] synonym: "hexamethylene tetramine" RELATED [ChemIDplus] synonym: "hexamethylenetetramine" EXACT [NIST_Chemistry_WebBook] synonym: "Hexamethylentetramin" RELATED [NIST_Chemistry_WebBook] synonym: "hexamethylentetraminum" RELATED [ChemIDplus] synonym: "hexamine" RELATED [ChemIDplus] synonym: "hexaminum" RELATED [ChemIDplus] synonym: "HMT" RELATED [NIST_Chemistry_WebBook] synonym: "HMTA" RELATED [NIST_Chemistry_WebBook] synonym: "metenamina" RELATED INN [ChemIDplus] synonym: "methenamine" RELATED INN [ChemIDplus] synonym: "methenamine" RELATED INN [ChEBI] synonym: "methenaminum" RELATED INN [ChemIDplus] synonym: "Uritone" RELATED BRAND_NAME [ChemIDplus] synonym: "Urotropin" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:2018 {source="Beilstein"} xref: CAS:100-97-0 {source="NIST Chemistry WebBook"} xref: CAS:100-97-0 {source="ChemIDplus"} xref: Drug_Central:3344 {source="DrugCentral"} xref: Gmelin:26964 {source="Gmelin"} xref: HMDB:HMDB0029598 xref: KEGG:D00393 xref: LINCS:LSM-5440 xref: Patent:US2762799 xref: Patent:US2762800 xref: PMID:13186006 {source="Europe PMC"} xref: PMID:22365691 {source="Europe PMC"} xref: PMID:24641608 {source="Europe PMC"} xref: Reaxys:2018 {source="Reaxys"} xref: Wikipedia:Methenamine is_a: CHEBI:33640 ! polycyclic cage is_a: CHEBI:39166 ! tetramine is_a: CHEBI:39474 ! polyazaalkane relationship: has_role CHEBI:36047 ! antibacterial drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKYKSIONXSXAKP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.18644" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.10620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1N2CN3CN1CN(C2)C3" xsd:string [Term] id: CHEBI:6835 name: methomyl namespace: chebi_ontology def: "A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime." [] subset: 3_STAR synonym: "1-(Methylthio)acetaldehyde O-methylcarbamoyloxime" RELATED [ChemIDplus] synonym: "1-(Methylthio)ethylideneamino methylcarbamate" RELATED [ChemIDplus] synonym: "Lannate" RELATED [ChemIDplus] synonym: "Methomyl" EXACT [KEGG_COMPOUND] synonym: "Methomyl lannate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl N-(methylcarbamoyloxy)ethanimidothioate" EXACT IUPAC_NAME [IUPAC] synonym: "N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester" RELATED [ChemIDplus] synonym: "S-Methyl N-(methylcarbamoyloxy)thioacetimidate" RELATED [ChemIDplus] xref: Beilstein:2042050 {source="Beilstein"} xref: CAS:16752-77-5 {source="ChemIDplus"} xref: CAS:16752-77-5 {source="KEGG COMPOUND"} xref: CAS:16752-77-5 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0031804 xref: KEGG:C11196 xref: LINCS:LSM-24991 xref: Pesticides:methomyl {source="Alan Wood's Pesticides"} xref: PMID:11327381 {source="Europe PMC"} xref: PMID:11758270 {source="Europe PMC"} xref: PPDB:458 xref: Reaxys:2042050 {source="Reaxys"} xref: Wikipedia:Methomyl is_a: CHEBI:22327 ! aliphatic sulfide is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:38534 ! 1-(methylsulfanyl)acetaldoxime relationship: has_functional_parent CHEBI:45379 ! methylcarbamic acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHXUZOCRWCRNSJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.21118" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.04630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)ON=C(C)SC" xsd:string [Term] id: CHEBI:6842 name: methoxychlor namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene)" EXACT IUPAC_NAME [IUPAC] synonym: "1,1,1-trichloro-2,2-bis(p-anisyl)ethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,1,1-trichloro-2,2-di(4-methoxyphenyl)ethane" RELATED [NIST_Chemistry_WebBook] synonym: "2,2-bis(p-anisyl)-1,1,1-trichloroethane" RELATED [ChemIDplus] synonym: "2,2-bis(p-methoxyphenyl)-1,1,1-trichloroethane" RELATED [ChemIDplus] synonym: "2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "dimethoxy-DDT" RELATED [ChemIDplus] synonym: "methoxy-DDT" RELATED [ChemIDplus] synonym: "Methoxychlor" EXACT [KEGG_COMPOUND] synonym: "p,p'-methoxychlor" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2057367 {source="ChemIDplus"} xref: CAS:72-43-5 {source="NIST Chemistry WebBook"} xref: CAS:72-43-5 {source="ChemIDplus"} xref: CAS:72-43-5 {source="KEGG COMPOUND"} xref: Gmelin:513417 {source="Gmelin"} xref: KEGG:C11043 xref: LINCS:LSM-37160 xref: PPDB:460 xref: VSDB:460 is_a: CHEBI:25705 ! organochlorine insecticide relationship: has_functional_parent CHEBI:39161 ! 1,1,1-trichloro-2,2-diphenylethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H15Cl3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAKOZHOLGAGEJT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "345.64720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.01376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)C(c1ccc(OC)cc1)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:6843 name: methoxyflurane namespace: chebi_ontology def: "An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl." [] subset: 3_STAR synonym: "2,2-dichloro-1,1-difluoro-1-methoxyethane" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-dichloro-1,1-difluoroethyl methyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "Methoflurane" RELATED [HMDB] synonym: "Methoxyfluoran" RELATED [HMDB] synonym: "Methoxyfluran" RELATED [HMDB] synonym: "methoxyflurane" RELATED INN [KEGG_DRUG] synonym: "methoxyflurane" RELATED INN [WHO_MedNet] synonym: "methoxyfluranum" RELATED INN [DrugBank] synonym: "Methyl 1,1-difluoro-2,2-dichloroethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "metoxiflurano" RELATED INN [DrugBank] synonym: "Penthrane" RELATED BRAND_NAME [KEGG_DRUG] xref: CAS:76-38-0 {source="ChemIDplus"} xref: CAS:76-38-0 {source="NIST Chemistry WebBook"} xref: CAS:76-38-0 {source="KEGG COMPOUND"} xref: Drug_Central:1754 {source="DrugCentral"} xref: DrugBank:DB01028 xref: HMDB:HMDB0015162 xref: KEGG:C07517 xref: KEGG:D00544 xref: PMID:20466829 {source="Europe PMC"} xref: PMID:20809687 {source="Europe PMC"} xref: PMID:21216328 {source="Europe PMC"} xref: PMID:21294628 {source="Europe PMC"} xref: PMID:21495948 {source="Europe PMC"} xref: PMID:21884146 {source="Europe PMC"} xref: PMID:22510863 {source="Europe PMC"} xref: PMID:22925206 {source="Europe PMC"} xref: PMID:23279561 {source="Europe PMC"} xref: PMID:23615302 {source="Europe PMC"} xref: PMID:23810328 {source="Europe PMC"} xref: PMID:24370557 {source="Europe PMC"} xref: PMID:24628924 {source="Europe PMC"} xref: PMID:24644183 {source="Europe PMC"} xref: PMID:24743584 {source="Europe PMC"} xref: PMID:24743586 {source="Europe PMC"} xref: PMID:24888759 {source="Europe PMC"} xref: Wikipedia:Methoxyflurane is_a: CHEBI:25698 ! ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:50909 ! nephrotoxic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4Cl2F2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RFKMCNOHBTXSMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.96600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.96073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(F)(F)C(Cl)Cl" xsd:string [Term] id: CHEBI:68452 name: azole namespace: chebi_ontology def: "Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen." [] subset: 3_STAR synonym: "azoles" RELATED [ChEBI] xref: Wikipedia:Azole is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38179 ! monocyclic heteroarene property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:68472 name: pyrimidine deoxyribonucleoside namespace: chebi_ontology def: "A deoxyribonucleoside containing a pyrimidine base." [] subset: 3_STAR synonym: "pyrimidine deoxyribonucleosides" RELATED [ChEBI] xref: MetaCyc:Pyrimidine-Deoxyribonucleosides is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:26440 ! pyrimidine nucleoside [Term] id: CHEBI:68481 name: mTOR inhibitor namespace: chebi_ontology def: "A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer." [] subset: 3_STAR synonym: "mammalian target of rapamycin inhibitor" RELATED [ChEBI] synonym: "mammalian target of rapamycin inhibitors" RELATED [ChEBI] synonym: "mTOR inhibitors" RELATED [ChEBI] xref: Wikipedia:MTOR_inhibitors is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:68487 name: strigolactone namespace: chebi_ontology def: "A family of sesquiterpene lactones with a common structure consisting of two lactone moieties (one a butenolide, the other a tricyclic gamma-lactone) connected by an enol-ether bridge. Originally used to describe phytohormones with diverse signaling activities, biosynthesised from carotenoids, the term also includes synthetic analogues." [] subset: 3_STAR synonym: "strigolactones" RELATED [ChEBI] xref: Patent:US2008318773 xref: PMID:12590450 {source="Europe PMC"} xref: PMID:15665473 {source="Europe PMC"} xref: PMID:15944706 {source="Europe PMC"} xref: PMID:19222028 {source="Europe PMC"} xref: PMID:20687831 {source="SUBMITTER"} xref: PMID:21947621 {source="Europe PMC"} xref: PMID:22027812 {source="Europe PMC"} xref: PMID:22173099 {source="Europe PMC"} xref: PMID:22323776 {source="Europe PMC"} xref: PMID:22357928 {source="Europe PMC"} xref: PMID:22398443 {source="Europe PMC"} xref: PMID:22422982 {source="Europe PMC"} xref: PMID:22542018 {source="Europe PMC"} xref: PMID:22580687 {source="Europe PMC"} xref: PMID:22689826 {source="Europe PMC"} xref: PMID:22738134 {source="Europe PMC"} xref: PMID:22827937 {source="Europe PMC"} xref: PMID:22885937 {source="Europe PMC"} xref: PMID:22924438 {source="Europe PMC"} xref: PMID:22959345 {source="Europe PMC"} xref: Wikipedia:Strigolactone is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:37667 ! sesquiterpene lactone is_a: CHEBI:50523 ! butenolide relationship: has_role CHEBI:37848 ! plant hormone [Term] id: CHEBI:68489 name: alkyl,acyl-sn-glycero-3-phosphocholine namespace: chebi_ontology def: "A glycerophosphocholine that is sn-glycero-3-phosphocholine in which positions 1 and 2 are substituted by unspecified acyl and alkyl groups, and in which the positions of the acyl and alkyl groups are also unspecified." [] subset: 3_STAR synonym: "acyl,alkyl-sn-glycero-3-phosphocholine" RELATED [SUBMITTER] synonym: "acyl,alkyl-sn-glycero-3-phosphocholines" RELATED [ChEBI] synonym: "alkyl,acyl-sn-glycero-3-phosphocholines" RELATED [ChEBI] is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18NO6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.08717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@](CO[*])(COP([O-])(=O)OCC[N+](C)(C)C)O[*]" xsd:string [Term] id: CHEBI:68494 name: apoptosis inhibitor namespace: chebi_ontology def: "Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms." [] subset: 3_STAR synonym: "apoptosis inhibitors" RELATED [ChEBI] synonym: "Type I cell-death inhibitor" RELATED [ChEBI] synonym: "Type I cell-death inhibitors" RELATED [ChEBI] synonym: "Type I programmed cell-death inhibitor" RELATED [ChEBI] synonym: "Type I programmed cell-death inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:68495 name: apoptosis inducer namespace: chebi_ontology def: "Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms." [] subset: 3_STAR synonym: "apoptosis inducers" RELATED [ChEBI] synonym: "Type I cell-death inducer" RELATED [ChEBI] synonym: "Type I cell-death inducers" RELATED [ChEBI] synonym: "Type I programmed cell-death inducer" RELATED [ChEBI] synonym: "Type I programmed cell-death inducers" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:68508 name: diethyl maleate namespace: chebi_ontology def: "A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis." [] subset: 3_STAR synonym: "2-butenedioic acid (2Z)-, dimethyl ester" RELATED [ChemIDplus] synonym: "diethyl (2Z)-but-2-enedioate" EXACT IUPAC_NAME [IUPAC] synonym: "maleic acid, diethyl ester" RELATED [NIST_Chemistry_WebBook] xref: CAS:141-05-9 {source="ChemIDplus"} xref: CAS:141-05-9 {source="NIST Chemistry WebBook"} xref: PMID:1471155 {source="Europe PMC"} xref: PMID:1609410 {source="Europe PMC"} xref: PMID:3341033 {source="Europe PMC"} xref: Reaxys:907616 {source="Reaxys"} is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:35486 ! maleate ester relationship: has_role CHEBI:68509 ! glutathione depleting agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IEPRKVQEAMIZSS-WAYWQWQTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.17850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.07356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)\\C=C/C(=O)OCC" xsd:string [Term] id: CHEBI:68509 name: glutathione depleting agent namespace: chebi_ontology def: "A compound which causes a reduction in the levels of glutathione in cells." [] subset: 3_STAR synonym: "glutathione depleting agents" RELATED [ChEBI] synonym: "glutathione depletion agent" RELATED [ChEBI] synonym: "glutathione depletion agents" RELATED [ChEBI] synonym: "glutathione depletor" RELATED [ChEBI] synonym: "glutathione depletors" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:68563 name: P2Y12 receptor antagonist namespace: chebi_ontology def: "An antagonist at the P2Y12 receptor" [] subset: 3_STAR synonym: "ADP receptor subtype P2Y12 antagonist" RELATED [ChEBI] synonym: "ADP receptor subtype P2Y12 antagonists" RELATED [ChEBI] synonym: "P2Y12 receptor antagonists" RELATED [ChEBI] synonym: "purinergic receptor subtype P2Y12 antagonist" RELATED [ChEBI] synonym: "purinergic receptor subtype P2Y12 antagonists" RELATED [ChEBI] xref: Wikipedia:P2Y12 is_a: CHEBI:91079 ! purinergic receptor P2 antagonist [Term] id: CHEBI:68612 name: EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor namespace: chebi_ontology alt_id: CHEBI:76927 def: "An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that specifically inhibits dipeptidyl peptidase-4 (EC 3.4.14.5)." [] subset: 3_STAR synonym: "amino acyl-prolyl dipeptidyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "amino acyl-prolyl dipeptidyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase IV inhibitor" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase IV inhibitors" RELATED [ChEBI] synonym: "dipeptidyl peptidase IV inhibitor" RELATED [ChEBI] synonym: "dipeptidyl peptidase IV inhibitors" RELATED [ChEBI] synonym: "dipeptidyl peptidase-4 inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-aminopeptidase IV inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-aminopeptidase IV inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase IV (EC 3.4.14.5) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase IV inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase IV inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptide hydrolase inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptide hydrolase inhibitors" RELATED [ChEBI] synonym: "DPP IV/CD26 inhibitor" RELATED [ChEBI] synonym: "DPP IV/CD26 inhibitors" RELATED [ChEBI] synonym: "DPP-4 inhibitor" RELATED [ChEBI] synonym: "DPP-4 inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.5 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.5 inhibitors" RELATED [ChEBI] synonym: "Gly-Pro naphthylamidase inhibitor" RELATED [ChEBI] synonym: "Gly-Pro naphthylamidase inhibitors" RELATED [ChEBI] synonym: "glycoprotein GP110 inhibitor" RELATED [ChEBI] synonym: "glycoprotein GP110 inhibitors" RELATED [ChEBI] synonym: "glycylproline aminopeptidase inhibitor" RELATED [ChEBI] synonym: "glycylproline aminopeptidase inhibitors" RELATED [ChEBI] synonym: "glycylprolyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "glycylprolyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "glycylprolyl dipeptidylaminopeptidase inhibitor" RELATED [ChEBI] synonym: "glycylprolyl dipeptidylaminopeptidase inhibitors" RELATED [ChEBI] synonym: "leukocyte antigen CD26 inhibitor" RELATED [ChEBI] synonym: "leukocyte antigen CD26 inhibitors" RELATED [ChEBI] synonym: "lymphocyte antigen CD26 inhibitor" RELATED [ChEBI] synonym: "lymphocyte antigen CD26 inhibitors" RELATED [ChEBI] synonym: "pep X inhibitor" RELATED [ChEBI] synonym: "pep X inhibitors" RELATED [ChEBI] synonym: "postproline dipeptidyl aminopeptidase IV inhibitor" RELATED [ChEBI] synonym: "postproline dipeptidyl aminopeptidase IV inhibitors" RELATED [ChEBI] synonym: "T cell triggering molecule Tp103 inhibitor" RELATED [ChEBI] synonym: "T cell triggering molecule Tp103 inhibitors" RELATED [ChEBI] synonym: "X-PDAP inhibitor" RELATED [ChEBI] synonym: "X-PDAP inhibitors" RELATED [ChEBI] synonym: "X-prolyl dipeptidyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "X-prolyl dipeptidyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "Xaa-Pro-dipeptidyl-aminopeptidase inhibitor" RELATED [ChEBI] synonym: "Xaa-Pro-dipeptidyl-aminopeptidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Dipeptidyl_peptidase-4_inhibitor is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor [Term] id: CHEBI:6872 name: methylene blue namespace: chebi_ontology def: "An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties." [] subset: 3_STAR synonym: "3,7-bis(dimethylamino)phenothiazin-5-ium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "azul de metileno" RELATED [ChEBI] synonym: "Basic Blue 9" RELATED [ChemIDplus] synonym: "bleu de methylene" RELATED [ChemIDplus] synonym: "C.I. 52015" RELATED [ChEBI] synonym: "chlorure de methylthioninium" RELATED INN [ChemIDplus] synonym: "cloruro de metiltioninio" RELATED INN [ChemIDplus] synonym: "Methylenblau" RELATED [ChemIDplus] synonym: "Methylene blue" EXACT [KEGG_COMPOUND] synonym: "Methylene Blue anhydrous" RELATED [ChemIDplus] synonym: "methylthioninii chloridum" RELATED INN [ChemIDplus] synonym: "Methylthioninium chloride" RELATED [KEGG_COMPOUND] synonym: "methylthioninium chloride" RELATED INN [ChemIDplus] synonym: "Solvent blue 8" RELATED [ChEBI] synonym: "Swiss blue" RELATED [ChEBI] xref: Beilstein:3599847 {source="Beilstein"} xref: CAS:61-73-4 {source="KEGG COMPOUND"} xref: CAS:61-73-4 {source="ChemIDplus"} xref: KEGG:C00220 xref: PMID:11145393 {source="Europe PMC"} xref: PMID:11246319 {source="Europe PMC"} xref: PMID:11287762 {source="Europe PMC"} xref: PMID:11376884 {source="Europe PMC"} xref: PMID:11427637 {source="Europe PMC"} xref: PMID:12068762 {source="Europe PMC"} xref: PMID:12830064 {source="Europe PMC"} xref: PMID:12845393 {source="Europe PMC"} xref: PMID:15120287 {source="Europe PMC"} xref: PMID:16054909 {source="Europe PMC"} xref: PMID:16380099 {source="Europe PMC"} xref: PMID:16464752 {source="Europe PMC"} xref: PMID:17499345 {source="Europe PMC"} xref: PMID:17597293 {source="Europe PMC"} xref: PMID:17645185 {source="Europe PMC"} xref: PMID:17692516 {source="Europe PMC"} xref: PMID:17721552 {source="Europe PMC"} xref: PMID:17826794 {source="Europe PMC"} xref: PMID:17941276 {source="Europe PMC"} xref: PMID:18873190 {source="Europe PMC"} xref: PMID:18980251 {source="Europe PMC"} xref: PMID:19189650 {source="Europe PMC"} xref: PMID:19193212 {source="Europe PMC"} xref: PMID:19212058 {source="Europe PMC"} xref: PMID:19277479 {source="Europe PMC"} xref: PMID:19562136 {source="Europe PMC"} xref: PMID:19596056 {source="Europe PMC"} xref: PMID:19746714 {source="Europe PMC"} xref: PMID:24788930 {source="Europe PMC"} xref: PMID:25150147 {source="Europe PMC"} xref: PMID:25285998 {source="Europe PMC"} xref: PMID:25356528 {source="Europe PMC"} xref: PMID:25440279 {source="Europe PMC"} xref: PMID:25441767 {source="Europe PMC"} xref: PMID:25499271 {source="Europe PMC"} xref: PMID:25613051 {source="Europe PMC"} xref: PMID:25679473 {source="Europe PMC"} xref: PMID:25687361 {source="Europe PMC"} xref: PMID:25707443 {source="Europe PMC"} xref: PMID:25791029 {source="Europe PMC"} xref: PMID:25913699 {source="Europe PMC"} xref: PMID:26165999 {source="Europe PMC"} xref: PMID:26192785 {source="Europe PMC"} xref: PMID:26213475 {source="Europe PMC"} xref: PMID:26221301 {source="Europe PMC"} xref: PMID:26310944 {source="Europe PMC"} xref: PMID:26463954 {source="Europe PMC"} xref: PMID:26572462 {source="Europe PMC"} xref: Reaxys:3599847 {source="Reaxys"} xref: Wikipedia:Methylene_blue is_a: CHEBI:36094 ! organic chloride salt relationship: has_part CHEBI:43830 ! 3,7-bis(dimethylamino)phenothiazin-5-ium relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:35208 ! physical tracer relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38068 ! antimalarial relationship: has_role CHEBI:38623 ! EC 1.4.3.4 (monoamine oxidase) inhibitor relationship: has_role CHEBI:50407 ! acid-base indicator relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:77307 ! cardioprotective agent relationship: has_role CHEBI:78678 ! EC 4.6.1.2 (guanylate cyclase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H18N3S.Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXKWCBBOMKCUKX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "319.85200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.09100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C" xsd:string [Term] id: CHEBI:6887 name: methylphenidate namespace: chebi_ontology def: "A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy." [] subset: 3_STAR synonym: "Daytrana" RELATED BRAND_NAME [KEGG_DRUG] synonym: "dl-threo-methylphenidate" RELATED [ChemIDplus] synonym: "methyl rac-threo-alpha-phenyl-alpha-2-piperidinylacetate" RELATED [ChEBI] synonym: "methyl rac-threo-phenidylacetate" RELATED [ChEBI] synonym: "methylphenidan" RELATED [ChemIDplus] synonym: "methylphenidate" RELATED INN [WHO_MedNet] synonym: "methylphenidate" RELATED INN [KEGG_DRUG] synonym: "methylphenidatum" RELATED INN [ChemIDplus] synonym: "metilfenidato" RELATED INN [ChemIDplus] synonym: "rac-methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate" EXACT IUPAC_NAME [IUPAC] synonym: "rac-threo-alpha-phenyl-2-piperidineacetic acid methyl ester" RELATED [ChEBI] synonym: "rac-threo-methyl alpha-phenyl-alpha-(2-piperidyl)acetate" RELATED [ChEBI] synonym: "threo-(+-)-methylphenidate" RELATED [ChemIDplus] xref: Beilstein:200061 {source="Beilstein"} xref: CAS:113-45-1 {source="NIST Chemistry WebBook"} xref: CAS:113-45-1 {source="KEGG COMPOUND"} xref: CAS:20748-11-2 {source="ChemIDplus"} xref: DrugBank:DB00422 xref: HMDB:HMDB0014566 xref: KEGG:C07196 xref: KEGG:D04999 xref: Patent:US2507631 xref: Patent:US2957880 xref: PMID:10786896 {source="Europe PMC"} xref: PMID:11160455 {source="Europe PMC"} xref: PMID:11862378 {source="Europe PMC"} xref: PMID:16953648 {source="Europe PMC"} xref: PMID:17201613 {source="Europe PMC"} xref: PMID:18670250 {source="Europe PMC"} xref: PMID:18978488 {source="Europe PMC"} xref: PMID:22098932 {source="Europe PMC"} xref: PMID:23104969 {source="Europe PMC"} xref: PMID:23813595 {source="Europe PMC"} xref: PMID:23975034 {source="Europe PMC"} xref: PMID:25433180 {source="Europe PMC"} xref: PMID:25449360 {source="Europe PMC"} xref: PMID:25553710 {source="Europe PMC"} xref: Reaxys:200061 {source="Reaxys"} xref: Wikipedia:Methylphenidate is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:51857 ! methyl (S)-phenyl[(S)-piperidin-2-yl]acetate relationship: has_part CHEBI:51860 ! dexmethylphenidate relationship: has_role CHEBI:35337 ! central nervous system stimulant relationship: has_role CHEBI:35471 ! psychotropic drug relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor relationship: is_conjugate_base_of CHEBI:51856 ! methylphenidate(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H19NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.14158" xsd:string [Term] id: CHEBI:6888 name: 6alpha-methylprednisolone namespace: chebi_ontology def: "The 6alpha-stereoisomer of 6-methylprednisolone." [] subset: 3_STAR synonym: "(6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione" RELATED [NIST_Chemistry_WebBook] synonym: "1-dehydro-6alpha-methylhydrocortisone" RELATED [ChemIDplus] synonym: "11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione" RELATED [ChemIDplus] synonym: "Delta(1)-6alpha-methylhydrocortisone" RELATED [NIST_Chemistry_WebBook] synonym: "Medrate" RELATED BRAND_NAME [ChemIDplus] synonym: "Medrol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Medrone" RELATED BRAND_NAME [DrugBank] synonym: "Methylprednisolon" RELATED [ChEBI] synonym: "methylprednisolone" RELATED INN [KEGG_DRUG] synonym: "methylprednisolonum" RELATED INN [ChemIDplus] synonym: "metilprednisolona" RELATED INN [ChemIDplus] synonym: "Solomet" RELATED BRAND_NAME [DrugBank] synonym: "Urbason" RELATED BRAND_NAME [DrugBank] xref: Beilstein:2340300 {source="Beilstein"} xref: CAS:83-43-2 {source="ChemIDplus"} xref: CAS:83-43-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:1768 {source="DrugCentral"} xref: DrugBank:DB00959 xref: HMDB:HMDB0015094 xref: KEGG:D00407 xref: Patent:US2897218 xref: Patent:US3053832 xref: PMID:25232411 {source="Europe PMC"} xref: Reaxys:2340300 {source="Reaxys"} xref: VSDB:1936 xref: Wikipedia:Methylprednisolone is_a: CHEBI:50366 ! 6-methylprednisolone relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37962 ! adrenergic agent relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:63726 ! neuroprotective agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H30O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHRSUDSXCMQTMA-PJHHCJLFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "374.47060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "374.20932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12" xsd:string [Term] id: CHEBI:6902 name: metolachlor namespace: chebi_ontology def: "A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor." [] subset: 3_STAR synonym: "2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine" RELATED [ChemIDplus] synonym: "rac-2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:51218-45-2 {source="KEGG COMPOUND"} xref: CAS:51218-45-2 {source="NIST Chemistry WebBook"} xref: CAS:51218-45-2 {source="ChemIDplus"} xref: KEGG:C10953 xref: Pesticides:metolachlor {source="Alan Wood's Pesticides"} xref: PMID:24378469 {source="Europe PMC"} xref: PMID:24720218 {source="Europe PMC"} xref: PMID:25275369 {source="Europe PMC"} xref: Reaxys:2743537 {source="Reaxys"} xref: Wikipedia:Metolachlor is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83646 ! (R)-metolachlor relationship: has_part CHEBI:83647 ! (S)-metolachlor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:6904 name: metoprolol namespace: chebi_ontology def: "A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1." [] subset: 3_STAR synonym: "(RS)-Metoprolol" RELATED [ChemIDplus] synonym: "1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol" RELATED [ChEBI] synonym: "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Metoprolol" EXACT [KEGG_COMPOUND] synonym: "Metoprolol" EXACT [KEGG_DRUG] xref: CAS:37350-58-6 {source="ChemIDplus"} xref: CAS:37350-58-6 {source="KEGG COMPOUND"} xref: CAS:51384-51-1 {source="KEGG COMPOUND"} xref: CAS:51384-51-1 {source="ChemIDplus"} xref: Drug_Central:1786 {source="DrugCentral"} xref: DrugBank:DB00264 xref: HMDB:HMDB0001932 xref: KEGG:C07202 xref: KEGG:D02358 xref: LINCS:LSM-1259 xref: PMID:15140634 {source="Europe PMC"} xref: PMID:15797646 {source="Europe PMC"} xref: PMID:23314750 {source="Europe PMC"} xref: PMID:24025984 {source="Europe PMC"} xref: Reaxys:1117585 {source="Reaxys"} xref: Wikipedia:Metoprolol is_a: CHEBI:35533 ! propanolamine is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H25NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUBSYMUCCVWXPE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "267.36394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "267.18344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCc1ccc(OCC(O)CNC(C)C)cc1" xsd:string [Term] id: CHEBI:6908 name: trichlorfon namespace: chebi_ontology def: "A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group." [] subset: 3_STAR synonym: "(+-)-Trichlorfon" RELATED [ChemIDplus] synonym: "1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester" RELATED [ChemIDplus] synonym: "Chlorophos" RELATED [ChemIDplus] synonym: "dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl chlorophos" RELATED [ChemIDplus] synonym: "Metrifonate" RELATED [KEGG_COMPOUND] synonym: "metrifonate" RELATED INN [WHO_MedNet] synonym: "metrifonato" RELATED INN [WHO_MedNet] synonym: "metrifonatum" RELATED INN [WHO_MedNet] synonym: "Trichlorfon" EXACT [KEGG_COMPOUND] xref: Beilstein:1709434 {source="Beilstein"} xref: CAS:52-68-6 {source="NIST Chemistry WebBook"} xref: CAS:52-68-6 {source="KEGG COMPOUND"} xref: CAS:52-68-6 {source="ChemIDplus"} xref: Drug_Central:1787 {source="DrugCentral"} xref: KEGG:C07971 xref: KEGG:D00805 xref: LINCS:LSM-4995 xref: PMID:19775726 {source="Europe PMC"} xref: PMID:24122545 {source="Europe PMC"} xref: PPDB:657 xref: Reaxys:1709434 {source="Reaxys"} xref: VSDB:657 xref: Wikipedia:Metrifonate is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37592 ! organic phosphonate is_a: CHEBI:37735 ! phosphonic ester relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35443 ! anthelminthic drug relationship: has_role CHEBI:37733 ! EC 3.1.1.8 (cholinesterase) inhibitor relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8Cl3O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NFACJZMKEDPNKN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.43700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.92258" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)C(O)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:6909 name: metronidazole namespace: chebi_ontology alt_id: CHEBI:39845 alt_id: CHEBI:63636 def: "A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death." [] subset: 3_STAR synonym: "1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole" RELATED [ChemIDplus] synonym: "1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole" RELATED [ChemIDplus] synonym: "1-(beta-ethylol)-2-methyl-5-nitro-3-azapyrrole" RELATED [NIST_Chemistry_WebBook] synonym: "1-(beta-hydroxyethyl)-2-methyl-5-nitroimidazole" RELATED [ChemIDplus] synonym: "1-(beta-oxyethyl)-2-methyl-5-nitroimidazole" RELATED [ChemIDplus] synonym: "2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "2-methyl-1-(2-hydroxyethyl)-5-nitroimidazole" RELATED [ChemIDplus] synonym: "2-methyl-3-(2-hydroxyethyl)-4-nitroimidazole" RELATED [ChemIDplus] synonym: "2-methyl-5-nitroimidazole-1-ethanol" RELATED [ChemIDplus] synonym: "metronidazol" RELATED INN [WHO_MedNet] synonym: "metronidazole" RELATED INN [KEGG_DRUG] synonym: "metronidazole" RELATED INN [WHO_MedNet] synonym: "metronidazolum" RELATED INN [WHO_MedNet] xref: Beilstein:611683 {source="Beilstein"} xref: CAS:443-48-1 {source="ChemIDplus"} xref: CAS:443-48-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:1790 {source="DrugCentral"} xref: DrugBank:DB00916 xref: HMDB:HMDB0015052 xref: KEGG:D00409 xref: LINCS:LSM-5628 xref: Patent:US2944061 xref: PDBeChem:2MN xref: PMID:11906111 {source="Europe PMC"} xref: PMID:14702395 {source="Europe PMC"} xref: PMID:15739364 {source="Europe PMC"} xref: PMID:16304169 {source="Europe PMC"} xref: PMID:16901452 {source="Europe PMC"} xref: PMID:18397330 {source="Europe PMC"} xref: PMID:19485831 {source="Europe PMC"} xref: PMID:22226009 {source="Europe PMC"} xref: PMID:22252819 {source="Europe PMC"} xref: Reaxys:611683 {source="Reaxys"} xref: VSDB:1826 xref: Wikipedia:Metronidazole is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:35716 ! C-nitro compound relationship: has_role CHEBI:132992 ! radiosensitizing agent relationship: has_role CHEBI:171664 ! antiamoebic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:50685 ! antitrichomonal drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:64682 ! metronidazole(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VAOCPAMSLUNLGC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "171.15400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.06439" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ncc(n1CCO)[N+]([O-])=O" xsd:string [Term] id: CHEBI:69136 name: latrunculin A namespace: chebi_ontology alt_id: CHEBI:43626 def: "A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes." [] subset: 3_STAR synonym: "(+)-latrunculin A" RELATED [ChEBI] synonym: "(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one" RELATED [PDBeChem] synonym: "LAT-A" RELATED [ChemIDplus] synonym: "LatA" RELATED [ChEBI] synonym: "LATRUNCULIN A" EXACT [PDBeChem] synonym: "NSC 613011" RELATED [ChemIDplus] xref: CAS:76343-93-6 {source="ChemIDplus"} xref: PDBeChem:LAR xref: PMID:10859320 {source="Europe PMC"} xref: PMID:12087066 {source="Europe PMC"} xref: PMID:17897856 {source="Europe PMC"} xref: PMID:19528469 {source="Europe PMC"} xref: PMID:20677927 {source="Europe PMC"} xref: PMID:22492972 {source="Europe PMC"} xref: PMID:22498812 {source="Europe PMC"} xref: PMID:3200109 {source="Europe PMC"} xref: PMID:3556584 {source="Europe PMC"} xref: PMID:9250716 {source="Europe PMC"} xref: Reaxys:4239363 {source="Reaxys"} is_a: CHEBI:25106 ! macrolide is_a: CHEBI:46733 ! oxabicycloalkane is_a: CHEBI:48891 ! thiazolidinone is_a: CHEBI:59780 ! cyclic hemiketal relationship: has_role CHEBI:27026 ! toxin relationship: has_role CHEBI:70728 ! actin polymerisation inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H31NO5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DDVBPZROPPMBLW-IZGXTMSKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "421.55000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "421.19229" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\\C=C/C=C/CC\\C(C)=C/C(=O)O2)O1" xsd:string [Term] id: CHEBI:6925 name: microcystin-LR namespace: chebi_ontology def: "A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins." [] subset: 3_STAR synonym: "1,7-anhydro[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanine]" RELATED [ChEBI] synonym: "cyanoginosin LR" RELATED [ChemIDplus] synonym: "cyclo[2,3-didehydro-N-methylalanyl-D-alanyl-L-leucyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl]" RELATED [ChEBI] synonym: "cyclo[D-alanyl-L-leucyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl]" EXACT IUPAC_NAME [IUPAC] synonym: "microcystin LR" RELATED [ChEBI] synonym: "Microcystin-LR" EXACT [KEGG_COMPOUND] synonym: "Microcystis aeruginosa toxin" RELATED [ChemIDplus] synonym: "toxin-LR" RELATED [ChemIDplus] xref: Beilstein:4779759 {source="ChemIDplus"} xref: CAS:101043-37-2 {source="ChemIDplus"} xref: CAS:101043-37-2 {source="KEGG COMPOUND"} xref: KEGG:C05371 xref: PMID:10903983 {source="Europe PMC"} xref: PMID:17125460 {source="Europe PMC"} xref: PMID:18246549 {source="Europe PMC"} xref: PMID:21489775 {source="Europe PMC"} xref: PMID:22071605 {source="Europe PMC"} xref: PMID:22301162 {source="Europe PMC"} xref: PMID:22837451 {source="Europe PMC"} xref: PMID:22956115 {source="Europe PMC"} xref: PMID:23131420 {source="Europe PMC"} xref: PMID:23506857 {source="Europe PMC"} xref: PMID:23586662 {source="Europe PMC"} xref: PMID:23999063 {source="Europe PMC"} xref: PMID:24268348 {source="Europe PMC"} xref: PMID:24280256 {source="Europe PMC"} xref: PMID:24318164 {source="Europe PMC"} xref: PMID:24462717 {source="Europe PMC"} xref: PMID:24631598 {source="Europe PMC"} xref: PMID:28648727 {source="Europe PMC"} xref: Reaxys:4779759 {source="Reaxys"} xref: Wikipedia:Microcystin-LR is_a: CHEBI:48041 ! microcystin relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37153 ! EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C49H74N10O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZYZCGGRZINLQBL-GWRQVWKTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "995.174" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "994.54877" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([C@H](OC)[C@@H](C)/C=C(\\C)/C=C/[C@@]1(NC([C@H](CCCNC(=N)N)NC([C@H]([C@H](C(O)=O)NC([C@H](CC(C)C)NC([C@@H](C)NC(C(N(C(CC[C@@H](NC([C@H]1C)=O)C(O)=O)=O)C)=C)=O)=O)=O)C)=O)=O)[H])C=2C=CC=CC2" xsd:string [Term] id: CHEBI:69441 name: p-methoxyphenol namespace: chebi_ontology subset: 2_STAR synonym: "1-Hydroxy-4-methoxybenzene" RELATED [ChEBI] synonym: "4-Hydroxyanisole" RELATED [ChEBI] synonym: "4-Methoxyphenol" RELATED [ChEBI] synonym: "hydroquinone methyl ether" RELATED [DrugCentral] synonym: "Mequinol" RELATED [ChEBI] synonym: "p-Guaiacol" RELATED [ChEBI] synonym: "p-Hydroxyanisol" RELATED [DrugCentral] synonym: "p-Hydroxymethoxybenzene" RELATED [DrugCentral] xref: CAS:150-76-5 {source="DrugCentral"} xref: ChemIDplus:0000150765 xref: Drug_Central:4221 {source="DrugCentral"} xref: HMDB:HMDB0029696 xref: PMID:21848266 {source="Europe PMC"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:51683 ! methoxybenzenes relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWVVVBRKAWDGAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.13720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(O)cc1" xsd:string [Term] id: CHEBI:6964 name: molinate namespace: chebi_ontology def: "A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies." [] subset: 3_STAR synonym: "ethyl 1-hexamethyleneiminecarbothiolate" RELATED [NIST_Chemistry_WebBook] synonym: "molinate" EXACT [KEGG_COMPOUND] synonym: "Ordram" RELATED BRAND_NAME [KEGG_COMPOUND] synonym: "S-ethyl 1-hexamethyleneiminothiocarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "S-ethyl azepane-1-carbothioate" EXACT IUPAC_NAME [IUPAC] synonym: "S-ethyl hexahydro-1H-azepine-1-carbothioate" RELATED [Alan_Wood's_Pesticides] synonym: "S-ethyl hexahydroazepine-1-carbothioate" RELATED [NIST_Chemistry_WebBook] synonym: "S-ethyl N,N-hexamethylenethiocarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "S-ethyl N,N-hexamethylenothiocarbamate" RELATED [NIST_Chemistry_WebBook] synonym: "S-ethyl perhydroazepine-1-carbothioate" RELATED [Alan_Wood's_Pesticides] synonym: "S-ethyl perhydroazepine-1-thiocarboxylate" RELATED [Alan_Wood's_Pesticides] synonym: "S-ethyl-N-hexamethylenethiocarbamate" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND91023048 {source="Europe PMC"} xref: CAS:2212-67-1 {source="KEGG COMPOUND"} xref: CAS:2212-67-1 {source="Alan Wood's Pesticides"} xref: CAS:2212-67-1 {source="NIST Chemistry WebBook"} xref: CAS:2212-67-1 {source="ChemIDplus"} xref: KEGG:C11086 xref: Pesticides:molinate {source="Alan Wood's Pesticides"} xref: PMID:11452140 {source="Europe PMC"} xref: PMID:16380149 {source="Europe PMC"} xref: PMID:16417035 {source="Europe PMC"} xref: PMID:19545510 {source="Europe PMC"} xref: PMID:20862524 {source="Europe PMC"} xref: PMID:20954713 {source="Europe PMC"} xref: PMID:21216347 {source="Europe PMC"} xref: PMID:22456730 {source="Europe PMC"} xref: PMID:24193246 {source="Europe PMC"} xref: PMID:24928378 {source="Europe PMC"} xref: PMID:24946031 {source="Europe PMC"} xref: PMID:25636851 {source="Europe PMC"} xref: PMID:25905461 {source="Europe PMC"} xref: PMID:27421102 {source="Europe PMC"} xref: PPDB:473 is_a: CHEBI:38128 ! monothiocarbamic ester is_a: CHEBI:46986 ! azepanes relationship: has_role CHEBI:145047 ! antispermatogenic agent relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DEDOPGXGGQYYMW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "187.300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.10309" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN(C(SCC)=O)CCCC1" xsd:string [Term] id: CHEBI:70709 name: progesterone receptor agonist namespace: chebi_ontology def: "A hormone agonist that binds to and activates progesterone receptors." [] subset: 3_STAR synonym: "PR agonist" RELATED [ChEBI] synonym: "PR agonists" RELATED [ChEBI] synonym: "progesterone receptor agonists" RELATED [ChEBI] is_a: CHEBI:51060 ! hormone agonist [Term] id: CHEBI:7071 name: N,N-diethyl-m-toluamide namespace: chebi_ontology alt_id: CHEBI:21448 def: "A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide." [] subset: 3_STAR synonym: "3-methyl-N,N-diethylbenzamide" RELATED [ChemIDplus] synonym: "Autan" RELATED BRAND_NAME [ChemIDplus] synonym: "DEET" RELATED [KEGG_COMPOUND] synonym: "deet" RELATED [ChEBI] synonym: "Detamide" RELATED BRAND_NAME [ChemIDplus] synonym: "diethyl toluamide" RELATED [ChemIDplus] synonym: "diethyltoluamide" RELATED INN [WHO_MedNet] synonym: "diethyltoluamidum" RELATED INN [WHO_MedNet] synonym: "dietiltoluamida" RELATED INN [WHO_MedNet] synonym: "Flypel" RELATED BRAND_NAME [ChemIDplus] synonym: "m-Delphene" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Metadelphene" RELATED BRAND_NAME [ChemIDplus] synonym: "Muscol" RELATED BRAND_NAME [ChEBI] synonym: "N,N-diethyl-3-methylbenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "Off" RELATED BRAND_NAME [ChemIDplus] synonym: "Off!" RELATED BRAND_NAME [ChEBI] synonym: "Repel" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND603426025 {source="Europe PMC"} xref: CAS:134-62-3 {source="KEGG COMPOUND"} xref: CAS:134-62-3 {source="NIST Chemistry WebBook"} xref: CAS:134-62-3 {source="ChemIDplus"} xref: Drug_Central:4418 {source="DrugCentral"} xref: KEGG:C10935 xref: KEGG:D02379 xref: LINCS:LSM-4114 xref: PDBeChem:DE3 xref: Pesticides:diethyltoluamide {source="Alan Wood's Pesticides"} xref: PMID:20797533 {source="Europe PMC"} xref: PMID:20963476 {source="Europe PMC"} xref: PMID:21937991 {source="Europe PMC"} xref: PMID:22289669 {source="Europe PMC"} xref: PMID:23167529 {source="Europe PMC"} xref: PMID:23261834 {source="Europe PMC"} xref: PMID:23407786 {source="Europe PMC"} xref: PMID:23437043 {source="Europe PMC"} xref: PMID:2499696 {source="Europe PMC"} xref: PMID:25748344 {source="Europe PMC"} xref: PMID:26467804 {source="Europe PMC"} xref: PMID:27138630 {source="Europe PMC"} xref: PMID:27345502 {source="Europe PMC"} xref: PMID:27510858 {source="Europe PMC"} xref: PMID:27639850 {source="Europe PMC"} xref: PMID:27657095 {source="Europe PMC"} xref: PMID:28676765 {source="Europe PMC"} xref: PMID:29077936 {source="Europe PMC"} xref: PMID:30395919 {source="Europe PMC"} xref: PMID:3352115 {source="Europe PMC"} xref: PMID:7564300 {source="Europe PMC"} xref: PMID:8187533 {source="Europe PMC"} xref: PPDB:1190 xref: Reaxys:2046711 {source="Reaxys"} xref: Wikipedia:DEET is_a: CHEBI:22702 ! benzamides relationship: has_functional_parent CHEBI:10589 ! m-toluic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:71692 ! insect repellent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MMOXZBCLCQITDF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "191.26950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "191.13101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)c1cccc(C)c1" xsd:string [Term] id: CHEBI:70722 name: EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor namespace: chebi_ontology def: "An EC 6.4.1.* (C-C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2)." [] subset: 3_STAR synonym: "ACC inhibitor" RELATED [ChEBI] synonym: "ACC inhibitors" RELATED [ChEBI] synonym: "ACCase inhibitor" RELATED [ChEBI] synonym: "ACCase inhibitors" RELATED [ChEBI] synonym: "acetyl coenzyme A carboxylase inhibitor" RELATED [ChEBI] synonym: "acetyl coenzyme A carboxylase inhibitors" RELATED [ChEBI] synonym: "acetyl-CoA carboxylase (EC 6.4.1.2) inhibitor" RELATED [ChEBI] synonym: "acetyl-CoA carboxylase (EC 6.4.1.2) inhibitors" RELATED [ChEBI] synonym: "acetyl-CoA carboxylase inhibitor" RELATED [ChEBI] synonym: "acetyl-CoA carboxylase inhibitors" RELATED [ChEBI] synonym: "acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitor" RELATED [ChEBI] synonym: "acetyl-CoA:carbon-dioxide ligase (ADP-forming) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.2 inhibitors" RELATED [ChEBI] xref: Patent:US2009270435 xref: PMID:19552511 {source="Europe PMC"} xref: PMID:22560583 {source="Europe PMC"} xref: PMID:22677317 {source="Europe PMC"} xref: Wikipedia:Acetyl_CoA_carboxylase is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor [Term] id: CHEBI:70723 name: reversine namespace: chebi_ontology def: "A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively." [] subset: 3_STAR synonym: "2-(4-morpholinoanilino)-6-cyclohexylaminopurine" RELATED [ChEBI] synonym: "N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine" EXACT IUPAC_NAME [IUPAC] xref: CAS:656820-32-5 {source="ChemIDplus"} xref: LINCS:LSM-5842 xref: PMID:14719906 {source="Europe PMC"} xref: PMID:16033270 {source="Europe PMC"} xref: PMID:17258475 {source="Europe PMC"} xref: PMID:17490611 {source="Europe PMC"} xref: PMID:17566101 {source="Europe PMC"} xref: PMID:17973295 {source="Europe PMC"} xref: PMID:17982654 {source="Europe PMC"} xref: PMID:18483302 {source="Europe PMC"} xref: PMID:19947906 {source="Europe PMC"} xref: PMID:20103988 {source="Europe PMC"} xref: PMID:20624901 {source="Europe PMC"} xref: PMID:22051168 {source="Europe PMC"} xref: PMID:22283874 {source="Europe PMC"} xref: PMID:22477067 {source="Europe PMC"} xref: PMID:22592527 {source="Europe PMC"} xref: PMID:22615034 {source="Europe PMC"} xref: PMID:22821411 {source="Europe PMC"} xref: PMID:22926505 {source="Europe PMC"} xref: Reaxys:9591952 {source="Reaxys"} xref: Wikipedia:Reversine is_a: CHEBI:26401 ! purines is_a: CHEBI:38785 ! morpholines is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:40235 ! 9H-purine-2,6-diamine relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:70724 ! cell dedifferentiation agent relationship: has_role CHEBI:70725 ! adenosine A3 receptor antagonist relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27N7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFLJHSQHILSNCM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "393.48540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "393.22771" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2[nH]cnc12" xsd:string [Term] id: CHEBI:70724 name: cell dedifferentiation agent namespace: chebi_ontology def: "Any compound which induces a partially or terminally differentiated cell to revert to an earlier developmental stage." [] subset: 3_STAR synonym: "cell dedifferentiation agents" RELATED [ChEBI] is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:70725 name: adenosine A3 receptor antagonist namespace: chebi_ontology def: "An antagonist at the A3 receptor." [] subset: 3_STAR synonym: "adenosine A3 receptor antagonistS" RELATED [ChEBI] xref: Wikipedia:Adenosine_A3_receptor is_a: CHEBI:71232 ! adenosine receptor antagonist [Term] id: CHEBI:70726 name: hesperadin namespace: chebi_ontology def: "An oxindole that is indolin-2-one which is substituted at position 5 by an (ethylsulfonyl)nitrilo group and at position 2 by a methylidene group, which is itself substituted by a phenyl group and a [4-(piperidin-1-ylmethyl)phenyl]amino group. An Aurora B kinase inhibitor, it is used to inhibit chromosome alignment and segregation." [] subset: 3_STAR synonym: "hesperadine" RELATED [ChEBI] synonym: "N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:422513-13-1 {source="Wikipedia"} xref: PMID:12707311 {source="Europe PMC"} xref: PMID:15866179 {source="Europe PMC"} xref: PMID:19320832 {source="Europe PMC"} xref: Reaxys:14118003 {source="Reaxys"} xref: Wikipedia:Hesperadin is_a: CHEBI:26151 ! piperidines is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:38459 ! oxindoles is_a: CHEBI:47989 ! enamine is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:70770 ! Aurora kinase inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H32N4O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GLDSKRNGVVYJAB-DQSJHHFOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "516.65400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "516.21951" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCS(=O)(=O)Nc1ccc2NC(=O)\\C(c2c1)=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1" xsd:string [Term] id: CHEBI:70727 name: topoisomerase inhibitor namespace: chebi_ontology def: "An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA)." [] subset: 3_STAR synonym: "topoisomerase inhibitors" RELATED [ChEBI] xref: Wikipedia:Topoisomerase is_a: CHEBI:76830 ! EC 5.99.1.* (miscellaneous isomerase) inhibitor [Term] id: CHEBI:70728 name: actin polymerisation inhibitor namespace: chebi_ontology def: "Any substance that inhibits the polymerisation of the protein actin." [] subset: 3_STAR synonym: "actin polymerisation inhibitors" RELATED [ChEBI] synonym: "actin polymerization inhibitor" RELATED [ChEBI] synonym: "actin polymerization inhibitors" RELATED [ChEBI] synonym: "inhibitor of actin polymerization" RELATED [ChEBI] synonym: "inhibitors of actin polymerization" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:70770 name: Aurora kinase inhibitor namespace: chebi_ontology def: "Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation)." [] subset: 3_STAR synonym: "Aurora kinase inhibitors" RELATED [ChEBI] xref: PMID:19369091 {source="Europe PMC"} xref: PMID:21147253 {source="Europe PMC"} xref: PMID:22350019 {source="Europe PMC"} is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:70773 name: capsazepine namespace: chebi_ontology def: "A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist." [] subset: 3_STAR synonym: "2-[2-(4-chlorophenyl)ethylamino-thiocarbonyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine" RELATED [ChEBI] synonym: "capsazepin" RELATED [ChEBI] synonym: "N-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide" RELATED [ChEBI] synonym: "N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide" RELATED [ChEBI] synonym: "N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide" RELATED [ChEBI] synonym: "ST50826300" RELATED [ChEBI] xref: CAS:138977-28-3 {source="ChemIDplus"} xref: LINCS:LSM-2983 xref: PMID:1422598 {source="Europe PMC"} xref: PMID:14757700 {source="Europe PMC"} xref: PMID:15032662 {source="Europe PMC"} xref: PMID:18230728 {source="Europe PMC"} xref: PMID:20719804 {source="Europe PMC"} xref: PMID:22922338 {source="Europe PMC"} xref: PMID:8027976 {source="Europe PMC"} xref: PMID:9126180 {source="Europe PMC"} xref: PMID:9197280 {source="Europe PMC"} xref: PMID:9257928 {source="Europe PMC"} xref: Reaxys:7047754 {source="Reaxys"} xref: Wikipedia:Capsazepine is_a: CHEBI:33566 ! catechols is_a: CHEBI:35676 ! benzazepine is_a: CHEBI:51276 ! thioureas is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H21ClN2O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRCMAZOSEIMCHM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "376.90000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "376.10123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:70774 name: capsaicin receptor antagonist namespace: chebi_ontology def: "Any substance which blocks the painful sensation of heat caused by capsaicin acting on the TRPV1 ion channel." [] subset: 3_STAR synonym: "capsaicin antagonist" RELATED [ChEBI] synonym: "capsaicin antagonists" RELATED [ChEBI] synonym: "capsaicin receptor antagonists" RELATED [ChEBI] synonym: "transient receptor potential cation channel subfamily V member 1 antagonist" RELATED [ChEBI] synonym: "transient receptor potential cation channel subfamily V member 1 antagonists" RELATED [ChEBI] synonym: "TRPV1 antagonist" RELATED [ChEBI] synonym: "TrpV1 antagonist" RELATED [ChEBI] synonym: "TRPV1 antagonists" RELATED [ChEBI] synonym: "TrpV1 antagonists" RELATED [ChEBI] synonym: "vanilloid receptor 1 antagonist" RELATED [ChEBI] synonym: "vanilloid receptor 1 antagonists" RELATED [ChEBI] xref: Wikipedia:Discovery_and_development_of_TRPV1_antagonists is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:70778 name: GW 7647 namespace: chebi_ontology def: "A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group." [] subset: 3_STAR synonym: "2-((4-(2-(1-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid" RELATED [ChEBI] synonym: "2-(4-(2-(1-(4-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid" RELATED [ChEBI] synonym: "2-(4-(2-(1-(cyclohexanebutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acid" RELATED [ChEBI] synonym: "2-({4-{2-{{(cyclohexylamino)carbonyl}(4-cyclohexylbutyl)amino}ethyl}phenyl}thio)-2-methylpropanoic acid" RELATED [ChEBI] synonym: "2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid" RELATED [ChEBI] synonym: "GW-7647" RELATED [ChEBI] synonym: "GW7647" RELATED [ChEBI] xref: CAS:265129-71-3 {source="KEGG COMPOUND"} xref: CAS:265129-71-3 {source="ChemIDplus"} xref: KEGG:C15622 xref: LINCS:LSM-4172 xref: PMID:14654352 {source="Europe PMC"} xref: PMID:16839165 {source="Europe PMC"} xref: PMID:17434479 {source="Europe PMC"} xref: PMID:21443859 {source="Europe PMC"} xref: PMID:21742490 {source="Europe PMC"} xref: PMID:22465071 {source="Europe PMC"} xref: PMID:23008696 {source="Europe PMC"} xref: Reaxys:8955332 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35683 ! aryl sulfide is_a: CHEBI:47857 ! ureas relationship: has_role CHEBI:70782 ! PPARalpha agonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H46N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PKNYXWMTHFMHKD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "502.75200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "502.32291" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O" xsd:string [Term] id: CHEBI:70781 name: PPAR modulator namespace: chebi_ontology def: "Any compound which acts on the peroxisome proliferator-activated receptor." [] subset: 3_STAR synonym: "peroxisome proliferator-activated receptor modulator" RELATED [ChEBI] synonym: "peroxisome proliferator-activated receptor modulators" RELATED [ChEBI] synonym: "PPAR modulators" RELATED [ChEBI] xref: PMID:18566691 {source="Europe PMC"} xref: PMID:19746174 {source="Europe PMC"} xref: Wikipedia:Peroxisome_proliferator-activated_receptor is_a: CHEBI:52210 ! pharmacological role [Term] id: CHEBI:70782 name: PPARalpha agonist namespace: chebi_ontology def: "A PPAR modulator which activates the peroxisome proliferator-activated receptor-alpha." [] subset: 3_STAR synonym: "peroxisome proliferator-activated receptor-alpha agonist" RELATED [ChEBI] synonym: "peroxisome proliferator-activated receptor-alpha agonists" RELATED [ChEBI] synonym: "PPAR-alpha agonist" RELATED [ChEBI] synonym: "PPAR-alpha agonists" RELATED [ChEBI] synonym: "PPARalpha agonist" EXACT [ChEBI] synonym: "PPARalpha agonists" RELATED [ChEBI] xref: Wikipedia:Peroxisome_proliferator-activated_receptor_alpha is_a: CHEBI:48705 ! agonist is_a: CHEBI:70781 ! PPAR modulator [Term] id: CHEBI:70817 name: EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor namespace: chebi_ontology def: "An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of glyceraldehyde-3-phosphate dehydrogenase (EC 1.2.1.12)." [] subset: 3_STAR synonym: "3-phosphoglyceraldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "3-phosphoglyceraldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "D-glyceraldehyde-3-phosphate:NAD(+) oxidoreductase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "dehydrogenase, glyceraldehyde phosphate inhibitor" RELATED [ChEBI] synonym: "dehydrogenase, glyceraldehyde phosphate inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitor" RELATED [ChEBI] synonym: "EC 1.2.1.12 (glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.12 inhibitor" RELATED [ChEBI] synonym: "EC 1.2.1.12 inhibitors" RELATED [ChEBI] synonym: "GAPDH inhibitor" RELATED [ChEBI] synonym: "GAPDH inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde phosphate dehydrogenase (NAD) inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde phosphate dehydrogenase (NAD) inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde-3-P-dehydrogenase inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde-3-P-dehydrogenase inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (NAD) inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) (EC 1.2.1.12) inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "glyceraldehyde-3-phosphate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NAD-dependent glyceraldehyde phosphate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "NADH-glyceraldehyde phosphate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "NADH-glyceraldehyde phosphate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "phosphoglyceraldehyde dehydrogenase inhibitor" RELATED [ChEBI] synonym: "phosphoglyceraldehyde dehydrogenase inhibitors" RELATED [ChEBI] synonym: "triosephosphate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "triosephosphate dehydrogenase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glyceraldehyde-3-phosphate_dehydrogenase is_a: CHEBI:76852 ! EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:70868 name: antileishmanial agent namespace: chebi_ontology def: "An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania." [] subset: 3_STAR synonym: "antileishmanial agents" RELATED [ChEBI] synonym: "antileishmanial drug" RELATED [ChEBI] synonym: "antileishmanial drugs" RELATED [ChEBI] is_a: CHEBI:35820 ! antiprotozoal drug [Term] id: CHEBI:70977 name: alkane-alpha,omega-diammonium(2+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the amino groups of any alkane-alpha,omega-diamine; major species at pH 7.3." [] subset: 3_STAR synonym: "an alkane-alpha,omega-diamine" RELATED [UniProt] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:35411 ! alkane-alpha,omega-diamine property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(CH2)n.C2H10N2" xsd:string [Term] id: CHEBI:70982 name: reactive oxygen species generator namespace: chebi_ontology def: "Any entity used to generate reactive oxygen species." [] subset: 3_STAR synonym: "reactive oxygen species generators" RELATED [ChEBI] synonym: "ROS generator" RELATED [ChEBI] synonym: "ROS generators" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:70998 name: G-protein-coupled receptor agonist namespace: chebi_ontology def: "An agonist that binds to and activates G-protein-coupled receptors" [] subset: 3_STAR synonym: "G-protein-coupled receptor agonists" RELATED [ChEBI] synonym: "GPCR agonist" RELATED [ChEBI] synonym: "GPCR agonists" RELATED [ChEBI] xref: Wikipedia:G_protein-coupled_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:71181 name: Sir2 inhibitor namespace: chebi_ontology def: "An EC 3.5.1.98 (histone deacetylase) inhibitor that interferes with the action of Sir2." [] subset: 3_STAR synonym: "Sir2 inhibitors" RELATED [ChEBI] xref: Wikipedia:Sir2 is_a: CHEBI:61115 ! EC 3.5.1.98 (histone deacetylase) inhibitor [Term] id: CHEBI:71212 name: prohormone namespace: chebi_ontology def: "Any intra-glandular substance that acts as a precursor of a hormone, usually having minimal hormonal effect itself. Prohormones generally help in amplifying the effect of existing hormones." [] subset: 3_STAR synonym: "prohormones" RELATED [ChEBI] xref: Wikipedia:Prohormone is_a: CHEBI:24432 ! biological role [Term] id: CHEBI:71230 name: dihydrochalcones namespace: chebi_ontology def: "Any ketone that is 1,3-diphenylpropanone and its derivatives obtained by substitution." [] subset: 3_STAR is_a: CHEBI:72544 ! flavonoids is_a: CHEBI:76224 ! aromatic ketone [Term] id: CHEBI:71232 name: adenosine receptor antagonist namespace: chebi_ontology def: "An antagonist at any adenosine receptor." [] subset: 3_STAR synonym: "adenosine receptor antagonists" RELATED [ChEBI] xref: Wikipedia:Adenosine_receptor is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:71240 name: sodium diphosphate namespace: chebi_ontology def: "An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt." [] subset: 3_STAR synonym: "Diphosphoric acid, tetrasodium salt" RELATED [ChemIDplus] synonym: "Natrium pyrophosphat" RELATED [ChemIDplus] synonym: "Pyrophosphoric acid tetrasodium salt" RELATED [ChemIDplus] synonym: "sodium diphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium pyrophosphate" RELATED [ChemIDplus] synonym: "Tetrasodium pyrophosphate" RELATED [ChemIDplus] synonym: "TSPP" RELATED [ChemIDplus] xref: CAS:7722-88-5 {source="ChemIDplus"} xref: PMID:19038924 {source="Europe PMC"} xref: PMID:20501039 {source="Europe PMC"} xref: PMID:20686342 {source="Europe PMC"} xref: PMID:21854899 {source="Europe PMC"} xref: PMID:22099944 {source="Europe PMC"} xref: PMID:22125775 {source="Europe PMC"} xref: PMID:22809121 {source="Europe PMC"} xref: PMID:22916886 {source="Europe PMC"} xref: Reaxys:11329446 {source="Reaxys"} xref: Wikipedia:Tetrasodium_pyrophosphate is_a: CHEBI:38702 ! inorganic sodium salt relationship: has_part CHEBI:18361 ! diphosphate(4-) relationship: has_role CHEBI:38161 ! chelator relationship: has_role CHEBI:63047 ! food emulsifier relationship: has_role CHEBI:77970 ! food thickening agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na4O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FQENQNTWSFEDLI-UHFFFAOYSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.90240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "265.87100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:71300 name: EC 2.* (transferase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)" [] subset: 3_STAR synonym: "EC 2 inhibitor" RELATED [ChEBI] synonym: "EC 2 inhibitors" RELATED [ChEBI] synonym: "EC 2.* (transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.* inhibitors" RELATED [ChEBI] synonym: "transferase inhibitor" RELATED [ChEBI] synonym: "transferase inhibitors" RELATED [ChEBI] xref: Wikipedia:Transferase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:71392 name: tetracycline(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate" EXACT IUPAC_NAME [IUPAC] synonym: "tetracycline anion" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline relationship: is_conjugate_base_of CHEBI:77932 ! tetracycline zwitterion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H23N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p-1/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "443.42660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "443.14599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2[NH+](C)C" xsd:string [Term] id: CHEBI:71476 name: EC 2.3.1.85 (fatty acid synthase) inhibitor namespace: chebi_ontology def: "An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of fatty acid synthase (EC 2.3.1.85), a multi-enzyme protein involved in fatty acid synthesis." [] subset: 3_STAR synonym: "(FAS) inhibitors" RELATED [ChEBI] synonym: "acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitor" RELATED [ChEBI] synonym: "acyl-CoA:malonyl-CoA C-acyltransferase (decarboxylating, oxoacyl- and enoyl-reducing and thioester-hydrolysing) inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.85 (fatty acid synthase) inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.85 inhibitor" RELATED [ChEBI] synonym: "EC 2.3.1.85 inhibitors" RELATED [ChEBI] synonym: "fatty acid synthase (EC 2.3.1.85) inhibitor" RELATED [ChEBI] synonym: "fatty acid synthase (EC 2.3.1.85) inhibitors" RELATED [ChEBI] synonym: "fatty acid synthase inhibitor" RELATED [ChEBI] synonym: "fatty acid synthase inhibitors" RELATED [ChEBI] xref: Wikipedia:Fatty-acid_synthase is_a: CHEBI:76878 ! EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor [Term] id: CHEBI:71543 name: rotenoid namespace: chebi_ontology def: "Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "rotenoids" RELATED [ChEBI] xref: Wikipedia:Rotenoids is_a: CHEBI:72544 ! flavonoids is_a: CHEBI:72579 ! tetrahydrochromenochromene [Term] id: CHEBI:71666 name: gamma-amino acid anion namespace: chebi_ontology def: "An amino-acid anion in which the amino group is situated gamma- to the carboxylate group." [] subset: 3_STAR synonym: "gamma-amino acid anions" RELATED [ChEBI] is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:33707 ! gamma-amino acid [Term] id: CHEBI:71692 name: insect repellent namespace: chebi_ontology def: "An insecticide that acts as a repellent to insects." [] subset: 3_STAR synonym: "insect repellents" RELATED [ChEBI] xref: Wikipedia:Insect_repellent is_a: CHEBI:24852 ! insecticide [Term] id: CHEBI:71989 name: ortho ester namespace: chebi_ontology def: "Any organooxygen compound that has the general formula RC(OR(1))(OR(2))(OR(3)), where R(1), R(2), R(3) =/= H." [] subset: 3_STAR synonym: "ortho esters" RELATED [ChEBI] synonym: "ortho-ester" RELATED [ChEBI] synonym: "ortho-esters" RELATED [ChEBI] synonym: "orthoester" RELATED [ChEBI] synonym: "orthoesters" RELATED [ChEBI] xref: Wikipedia:Orthoester is_a: CHEBI:36963 ! organooxygen compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.00890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.98474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(O[*])(O[*])O[*]" xsd:string [Term] id: CHEBI:72010 name: hydroxyflavan namespace: chebi_ontology alt_id: CHEBI:24036 def: "A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups." [] subset: 3_STAR synonym: "flavanols" RELATED [] synonym: "hydroxyflavans" RELATED [] is_a: CHEBI:38691 ! flavan property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:7203 name: N-acetylhexosamine namespace: chebi_ontology subset: 2_STAR synonym: "N-Acetylhexosamine" EXACT [KEGG_COMPOUND] xref: KEGG:C02711 is_a: CHEBI:21656 ! N-acyl-hexosamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15NO6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVRNDRQMDRJTHS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.208" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.08994" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)NC1C(O)OC(CO)C(O)C1O" xsd:string [Term] id: CHEBI:72316 name: virulence factor namespace: chebi_ontology def: "Any toxin secreted by bacteria, viruses, fungi or protozoa enabling them to achieve colonisation of a niche in the host, inhibit or evade the host's immune response, enter and exit cells, or obtain nutrition from the host." [] subset: 3_STAR synonym: "virulence factors" RELATED [ChEBI] xref: PMID:22851449 {source="Europe PMC"} xref: Wikipedia:Virulence_factor is_a: CHEBI:27026 ! toxin [Term] id: CHEBI:72449 name: malachite green namespace: chebi_ontology def: "An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture." [] subset: 3_STAR synonym: "(4-(4-Dimethylaminobenzhydriylidene)cyclohexa-2,5-dienylidene)dimethylammonium chloride" RELATED [ChemIDplus] synonym: "(4-(alpha-(4-Dimethylamino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene dimethylammonium chloride" RELATED [ChemIDplus] synonym: "4-{[4-(dimethylamino)phenyl](phenyl)methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Basic Green 4" RELATED [ChemIDplus] synonym: "C.I. 42000" RELATED [ChemIDplus] synonym: "C.I. Basic Green 4" RELATED [ChemIDplus] synonym: "CI 42000" RELATED [ChemIDplus] synonym: "CI Basic Green 4" RELATED [ChemIDplus] synonym: "diamond green B" RELATED [ChEBI] synonym: "malachite green chloride" RELATED [ChEBI] synonym: "malachite green chloride salt" RELATED [ChEBI] synonym: "victoria green B" RELATED [ChEBI] xref: CAS:569-64-2 {source="KEGG COMPOUND"} xref: CAS:569-64-2 {source="ChemIDplus"} xref: KEGG:C18367 xref: Patent:WO2008063374 xref: PMID:22236952 {source="Europe PMC"} xref: PMID:22526306 {source="Europe PMC"} xref: PMID:22623907 {source="Europe PMC"} xref: PMID:23122763 {source="Europe PMC"} xref: PMID:23199816 {source="Europe PMC"} xref: PMID:23203820 {source="Europe PMC"} xref: PMID:23286983 {source="Europe PMC"} xref: PMID:23296502 {source="Europe PMC"} xref: PMID:23323052 {source="Europe PMC"} xref: PMID:25128680 {source="Europe PMC"} xref: PMID:25218224 {source="Europe PMC"} xref: PMID:25236201 {source="Europe PMC"} xref: PMID:25409587 {source="Europe PMC"} xref: PMID:25441361 {source="Europe PMC"} xref: PMID:25462308 {source="Europe PMC"} xref: PMID:25497025 {source="Europe PMC"} xref: PMID:25542168 {source="Europe PMC"} xref: PMID:25697373 {source="Europe PMC"} xref: PMID:25699703 {source="Europe PMC"} xref: PMID:25748983 {source="Europe PMC"} xref: PMID:25757145 {source="Europe PMC"} xref: PMID:25938698 {source="Europe PMC"} xref: PMID:25945894 {source="Europe PMC"} xref: PMID:26003716 {source="Europe PMC"} xref: PMID:26057094 {source="Europe PMC"} xref: PMID:26185924 {source="Europe PMC"} xref: PMID:26250058 {source="Europe PMC"} xref: PMID:26254991 {source="Europe PMC"} xref: Reaxys:3580148 {source="Reaxys"} xref: Wikipedia:Malachite_green is_a: CHEBI:36094 ! organic chloride salt relationship: has_part CHEBI:44107 ! malachite green cation relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86327 ! antifungal drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H25ClN2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FDZZZRQASAIRJF-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.91100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.17063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C" xsd:string [Term] id: CHEBI:72470 name: provitamin B1 namespace: chebi_ontology def: "A provitamin that can be converted into vitamin B1 by enzymes from animal tissues." [] subset: 3_STAR synonym: "provitamin B1s" RELATED [ChEBI] is_a: CHEBI:50188 ! provitamin [Term] id: CHEBI:72544 name: flavonoids namespace: chebi_ontology def: "Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them." [] subset: 3_STAR synonym: "flavonoid" RELATED [ChEBI] xref: Wikipedia:Flavonoids is_a: CDNO:0000013 ! plant secondary metabolite is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:72564 name: temozolomide namespace: chebi_ontology def: "An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma." [] subset: 3_STAR synonym: "3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide" RELATED [ChemIDplus] synonym: "3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide" RELATED [ChemIDplus] synonym: "3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide" RELATED [ChemIDplus] synonym: "3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one" RELATED [ChemIDplus] synonym: "BRN 5547136" RELATED [ChemIDplus] synonym: "CCRG 81045" RELATED [ChemIDplus] synonym: "CCRG-81045" RELATED [ChemIDplus] synonym: "CCRIS 8996" RELATED [ChemIDplus] synonym: "M & B 39831" RELATED [ChemIDplus] synonym: "M&B 39831" RELATED [ChemIDplus] synonym: "MB 39831" RELATED [ChemIDplus] synonym: "methazolastone" RELATED [ChemIDplus] synonym: "NSC 362856" RELATED [ChemIDplus] synonym: "Sch 52365" RELATED [ChemIDplus] synonym: "Temodal" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Temodar" RELATED BRAND_NAME [ChEBI] synonym: "temozolomida" RELATED INN [WHO_MedNet] synonym: "temozolomide" RELATED INN [ChemIDplus] synonym: "temozolomide" RELATED INN [WHO_MedNet] synonym: "temozolomidum" RELATED INN [WHO_MedNet] synonym: "TMZ" RELATED [ChEBI] xref: CAS:85622-93-1 {source="ChemIDplus"} xref: Drug_Central:2589 {source="DrugCentral"} xref: DrugBank:DB00853 xref: HMDB:HMDB0014991 xref: KEGG:D06067 xref: LINCS:LSM-4590 xref: Patent:DE3231255 xref: PMID:22680781 {source="Europe PMC"} xref: PMID:22818211 {source="Europe PMC"} xref: PMID:23246370 {source="Europe PMC"} xref: PMID:23254891 {source="Europe PMC"} xref: PMID:23293540 {source="Europe PMC"} xref: PMID:23335050 {source="Europe PMC"} xref: PMID:23362460 {source="Europe PMC"} xref: PMID:23377829 {source="Europe PMC"} xref: PMID:23385995 {source="Europe PMC"} xref: PMID:23389760 {source="Europe PMC"} xref: Reaxys:5547136 {source="Reaxys"} xref: Wikipedia:Temozolomide is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:72565 ! imidazotetrazine is_a: CHEBI:72573 ! triazene derivative relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50266 ! prodrug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6N6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPEGJWRSRHCHSN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.15080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.05522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1nnc2c(ncn2c1=O)C(N)=O" xsd:string [Term] id: CHEBI:72565 name: imidazotetrazine namespace: chebi_ontology def: "Any organic heterobicyclic compound containing ortho-fused imidazole and tetrazine rings." [] subset: 3_STAR synonym: "imidazotetrazines" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:72573 name: triazene derivative namespace: chebi_ontology def: "A nitrogen molecular entity resulting from the formal substitution of one or more of the hydrogens of triazene." [] subset: 3_STAR synonym: "triazene derivatives" RELATED [ChEBI] synonym: "triazenes" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: has_parent_hydride CHEBI:35468 ! triazene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N3R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.00922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N=NN([*])[*]" xsd:string [Term] id: CHEBI:72579 name: tetrahydrochromenochromene namespace: chebi_ontology def: "Any chromenochromene resulting from the formal cis-fusion of two dihydro chromene rings, together with their substituted derivatives." [] subset: 3_STAR synonym: "tetrahydrochromenochromenes" RELATED [ChEBI] is_a: CHEBI:133135 ! chromenochromene [Term] id: CHEBI:72581 name: rotenones namespace: chebi_ontology def: "Members of the class of rotenoid which consists of a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton and its substituted products." [] subset: 3_STAR is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:71543 ! rotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16O3R12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.16940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.98474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c2C(=O)C3([*])c4c([*])c([*])c([*])c([*])c4OC([*])([*])C3([*])Oc2c1[*]" xsd:string [Term] id: CHEBI:72588 name: semisynthetic derivative namespace: chebi_ontology def: "Any organic molecular entity derived from a natural product by partial chemical synthesis." [] subset: 3_STAR synonym: "semi-synthetic compound" RELATED [ChEBI] synonym: "semi-synthetic compounds" RELATED [ChEBI] synonym: "semi-synthetic derivative" RELATED [ChEBI] synonym: "semi-synthetic derivatives" RELATED [ChEBI] synonym: "semisynthetic compound" RELATED [ChEBI] synonym: "semisynthetic compounds" RELATED [ChEBI] synonym: "semisynthetic derivatives" RELATED [ChEBI] xref: Wikipedia:Semisynthesis is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:72596 name: papulacandin namespace: chebi_ontology def: "Any of the carbohydrate-containing antibiotic compounds obtained from the deuteromycetous fungus Papularia sphaerosperma and generally consisting of o-orsellinic acid linked via a spirocyclic structure to a lactose moiety with two different side-chains: a shorter fatty-acid chain at the O-(6') position and a longer side-chain at the O-(3) position of the glucose moiety. Papulacandin D, the simplest member of the papulacandin family, lacks the O-(6'-acyl-beta-galactoside) at the O-(4) position of the glucose residue. The papulacandins show potent antifungal activity against Candida albicans, Geotrichum lactis, Saccharomyces cerevisiae, and Pneumocytis carinii, but are inactive against filamentous fungi, bacteria, and protazoa." [] subset: 3_STAR synonym: "papulacandins" RELATED [ChEBI] xref: PMID:12374387 {source="Europe PMC"} xref: PMID:20711516 {source="Europe PMC"} xref: PMID:324958 {source="Europe PMC"} xref: PMID:3839230 {source="Europe PMC"} xref: PMID:3839234 {source="Europe PMC"} xref: PMID:6360972 {source="Europe PMC"} xref: PMID:7440418 {source="Europe PMC"} xref: PMID:7649857 {source="Europe PMC"} xref: PMID:8468238 {source="Europe PMC"} is_a: CHEBI:20857 ! C-glycosyl compound is_a: CHEBI:23007 ! carbohydrate-containing antibiotic is_a: CHEBI:35748 ! fatty acid ester is_a: CHEBI:38831 ! 2-benzofurans is_a: CHEBI:72600 ! spiroketal relationship: has_functional_parent CHEBI:32807 ! o-orsellinic acid [Term] id: CHEBI:72600 name: spiroketal namespace: chebi_ontology def: "A cyclic ketal in which the ketal carbon is the only common atom of two rings." [] subset: 3_STAR synonym: "spiroacetal" RELATED [ChEBI] synonym: "spiroacetals" RELATED [ChEBI] synonym: "spiroketals" RELATED [ChEBI] xref: PMID:19262920 {source="Europe PMC"} xref: PMID:20024126 {source="Europe PMC"} xref: PMID:21076755 {source="Europe PMC"} xref: PMID:21604735 {source="Europe PMC"} xref: PMID:21860857 {source="Europe PMC"} xref: PMID:22421755 {source="Europe PMC"} is_a: CHEBI:37948 ! oxaspiro compound is_a: CHEBI:59779 ! cyclic ketal [Term] id: CHEBI:72695 name: organic molecule namespace: chebi_ontology def: "Any molecule that consists of at least one carbon atom as part of the electrically neutral entity." [] subset: 3_STAR synonym: "organic compound" RELATED [ChEBI] synonym: "organic compounds" RELATED [ChEBI] synonym: "organic molecules" RELATED [ChEBI] is_a: CHEBI:25367 ! molecule is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:72768 name: aryl hydrocarbon receptor agonist namespace: chebi_ontology def: "An agonist that binds to and activates aryl hydrocarbon receptors (AhRs)." [] subset: 3_STAR synonym: "AHR agonist" RELATED [ChEBI] synonym: "AhR agonist" RELATED [ChEBI] synonym: "AHR agonists" RELATED [ChEBI] synonym: "AhR agonists" RELATED [ChEBI] synonym: "aryl hydrocarbon receptor agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:72773 name: carotogenesis inhibitor namespace: chebi_ontology def: "Any inhibitor of the biosynthesis of carotenoids." [] subset: 3_STAR synonym: "carotogenesis inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:72774 name: EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor namespace: chebi_ontology def: "An EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitor that interferes with the action of phytoene desaturase (zeta-carotene-forming), EC 1.3.99.29, an enzyme of carotenoid biosynthesis that converts phytoene into zeta-carotene (zeta-carotene) via the symmetrical introduction of two double bonds at the C-11 and C-11' positions of phytoene." [] subset: 3_STAR synonym: "15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitor" RELATED [ChEBI] synonym: "15-cis-phytoene:acceptor oxidoreductase (zeta-carotene-forming) inhibitors" RELATED [ChEBI] synonym: "2-step phytoene desaturase inhibitor" RELATED [ChEBI] synonym: "2-step phytoene desaturase inhibitors" RELATED [ChEBI] synonym: "CrtIa inhibitor" RELATED [ChEBI] synonym: "CrtIa inhibitors" RELATED [ChEBI] synonym: "EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitors" RELATED [ChEBI] synonym: "EC 1.3.99.29 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.99.29 inhibitors" RELATED [ChEBI] synonym: "phytoene dehydrogenase inhibitor" RELATED [ChEBI] synonym: "phytoene dehydrogenase inhibitors" RELATED [ChEBI] synonym: "phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitor" RELATED [ChEBI] synonym: "phytoene desaturase (zeta-carotene-forming) (EC 1.3.99.29) inhibitors" RELATED [ChEBI] synonym: "phytoene desaturase (zeta-carotene-forming) inhibitor" RELATED [ChEBI] synonym: "phytoene desaturase (zeta-carotene-forming) inhibitors" RELATED [ChEBI] synonym: "phytoene desaturase inhibitor" RELATED [ChEBI] synonym: "phytoene desaturase inhibitors" RELATED [ChEBI] synonym: "two-step phytoene desaturase inhibitor" RELATED [ChEBI] synonym: "two-step phytoene desaturase inhibitors" RELATED [ChEBI] is_a: CHEBI:76859 ! EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitor [Term] id: CHEBI:72813 name: exopolysaccharide def: "A biomacromolecule composed of carbohydrate residues which is secreted by a microorganism into the surrounding environment." [] is_a: CHEBI:33694 ! biomacromolecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:73080 name: hemiaminal namespace: chebi_ontology def: "Any organic amino compound that has an amino group and a hydroxy group attached to the same carbon atom. Hemiaminals are intermediates in the formation of imines by addition of an amine to an aldehyde or ketone; those derived from primary amines are particularly unstable." [] subset: 3_STAR synonym: "carbinolamine" RELATED [ChEBI] synonym: "carbinolamines" RELATED [ChEBI] synonym: "hemiaminals" RELATED [ChEBI] xref: Wikipedia:Hemiaminal is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:50047 ! organic amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNOR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])([*])N([*])[*]" xsd:string [Term] id: CHEBI:73163 name: oryzalin namespace: chebi_ontology def: "A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group." [] subset: 3_STAR synonym: "3,5-dinitro-N(4),N(4)-dipropylsulfanilamide" RELATED [Alan_Wood's_Pesticides] synonym: "3,5-Dinitro-N4,N4-dipropylsulphanilamide" RELATED [ChemIDplus] synonym: "4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide" RELATED [Alan_Wood's_Pesticides] synonym: "4-(dipropylamino)-3,5-dinitrobenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:19044-88-3 {source="ChemIDplus"} xref: CAS:19044-88-3 {source="NIST Chemistry WebBook"} xref: CAS:19044-88-3 {source="KEGG COMPOUND"} xref: KEGG:C18877 xref: Patent:US2012108430 xref: Pesticides:19044-88-3 {source="Alan Wood's Pesticides"} xref: PMID:20405146 {source="Europe PMC"} xref: PMID:20870876 {source="Europe PMC"} xref: PMID:21983568 {source="Europe PMC"} xref: PMID:22771930 {source="Europe PMC"} xref: PMID:23261650 {source="Europe PMC"} xref: PPDB:494 xref: Reaxys:2177305 {source="Reaxys"} xref: Wikipedia:Oryzalin is_a: CHEBI:33860 ! aromatic amine is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:64911 ! antimitotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18N4O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UNAHYJYOSSSJHH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "346.36000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "346.09471" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:73173 name: 2,4-DB namespace: chebi_ontology alt_id: CHEBI:34376 def: "A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide." [] subset: 3_STAR synonym: "2,4-D butyric acid" RELATED [ChemIDplus] synonym: "4-(2,4-DB)" RELATED [NIST_Chemistry_WebBook] synonym: "4-(2,4-dichlorophenoxy)butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-(2,4-Dichlorophenoxy)butyric acid" RELATED [KEGG_COMPOUND] synonym: "Butoxone" RELATED BRAND_NAME [ChemIDplus] synonym: "Butyrac" RELATED BRAND_NAME [ChemIDplus] synonym: "Embutox" RELATED BRAND_NAME [ChEBI] synonym: "gamma-(2,4-dichlorophenoxy)-butanoic acid" RELATED [ChEBI] synonym: "gamma-(2,4-dichlorophenoxy)-butyric acid" RELATED [ChEBI] synonym: "gamma-(2,4-dichlorophenoxy)butanoic acid" RELATED [ChEBI] synonym: "gamma-(2,4-dichlorophenoxy)butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Legumex" RELATED BRAND_NAME [ChemIDplus] xref: CAS:94-82-6 {source="KEGG COMPOUND"} xref: CAS:94-82-6 {source="ChemIDplus"} xref: CAS:94-82-6 {source="NIST Chemistry WebBook"} xref: KEGG:C14404 xref: Patent:GB804565 xref: Patent:GB883255 xref: Pesticides:2\,4-db {source="Alan Wood's Pesticides"} xref: PPDB:5 xref: Reaxys:1976809 {source="Reaxys"} xref: Wikipedia:2\,4-DB is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: is_conjugate_acid_of CHEBI:143277 ! 4-(2,4-dichlorophenoxy)butanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YIVXMZJTEQBPQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "249.09100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "248.00070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCOc1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:73181 name: EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor namespace: chebi_ontology def: "An EC 1.11.1.* (peroxidases) inhibitor that inhibits the action of L-ascorbate peroxidase (EC 1.11.1.11)." [] subset: 3_STAR synonym: "ascorbate peroxidase inhibitor" RELATED [ChEBI] synonym: "ascorbate peroxidase inhibitors" RELATED [ChEBI] synonym: "ascorbic acid peroxidase inhibitor" RELATED [ChEBI] synonym: "ascorbic acid peroxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.11 inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.11 inhibitors" RELATED [ChEBI] synonym: "L-ascorbate peroxidase (EC 1.11.1.11) inhibitor" RELATED [ChEBI] synonym: "L-ascorbate peroxidase (EC 1.11.1.11) inhibitors" RELATED [ChEBI] synonym: "L-ascorbate peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbate peroxidase inhibitors" RELATED [ChEBI] synonym: "L-ascorbate:hydrogen-peroxide oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-ascorbate:hydrogen-peroxide oxidoreductase inhibitors" RELATED [ChEBI] synonym: "L-ascorbic acid peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbic acid peroxidase inhibitors" RELATED [ChEBI] synonym: "L-ascorbic acid-specific peroxidase inhibitor" RELATED [ChEBI] synonym: "L-ascorbic acid-specific peroxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:L-ascorbate_peroxidase is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor [Term] id: CHEBI:73182 name: plant activator namespace: chebi_ontology def: "Any compound that protects plants by activating their defence mechanisms." [] subset: 3_STAR synonym: "plant activators" RELATED [ChEBI] is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:73191 name: abscisic acid receptor agonist namespace: chebi_ontology def: "An agonist that binds to and activates abscisic acid receptors." [] subset: 3_STAR synonym: "ABA agonist" RELATED [ChEBI] synonym: "ABA agonists" RELATED [ChEBI] synonym: "ABA receptor agonist" RELATED [ChEBI] synonym: "ABA receptor agonists" RELATED [ChEBI] synonym: "abscisic acid receptor agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:73192 name: EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor namespace: chebi_ontology def: "An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4)." [] subset: 3_STAR synonym: "EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.3.4 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.3.4 inhibitors" RELATED [ChEBI] synonym: "HemG inhibitor" RELATED [ChEBI] synonym: "HemG inhibitors" RELATED [ChEBI] synonym: "HemY inhibitor" RELATED [ChEBI] synonym: "HemY inhibitors" RELATED [ChEBI] synonym: "PPO inhibitor" RELATED [ChEBI] synonym: "PPO inhibitors" RELATED [ChEBI] synonym: "protoporphyrinogen IX oxidase inhibitor" RELATED [ChEBI] synonym: "protoporphyrinogen IX oxidase inhibitors" RELATED [ChEBI] synonym: "protoporphyrinogen oxidase (EC 1.3.3.4) inhibitor" RELATED [ChEBI] synonym: "protoporphyrinogen oxidase (EC 1.3.3.4) inhibitors" RELATED [ChEBI] synonym: "protoporphyrinogen oxidase inhibitor" RELATED [ChEBI] synonym: "protoporphyrinogen oxidase inhibitors" RELATED [ChEBI] synonym: "protoporphyrinogen-IX:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "protoporphyrinogen-IX:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "protoporphyrinogenase inhibitor" RELATED [ChEBI] synonym: "protoporphyrinogenase inhibitors" RELATED [ChEBI] synonym: "Protox inhibitor" RELATED [ChEBI] synonym: "Protox inhibitors" RELATED [ChEBI] xref: PMID:15660355 {source="Europe PMC"} xref: PMID:22273380 {source="Europe PMC"} xref: Wikipedia:Protoporphyrinogen_oxidase is_a: CHEBI:76860 ! EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitor [Term] id: CHEBI:73193 name: gibberellin biosynthesis inhibitor namespace: chebi_ontology def: "Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins." [] subset: 3_STAR synonym: "gibberellin biosynthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:73216 name: EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor namespace: chebi_ontology alt_id: CHEBI:76765 def: "Any hydrolase inhibitor that interferes with the action of a hydrolase which acts on acid anhydrides (EC 3.6.*.*)." [] subset: 3_STAR synonym: "acid anhydride hydrolase inhibitor" RELATED [ChEBI] synonym: "acid anhydride hydrolase inhibitors" RELATED [ChEBI] synonym: "EC 3.6 inhibitor" RELATED [ChEBI] synonym: "EC 3.6 inhibitors" RELATED [ChEBI] synonym: "EC 3.6.* (hydrolases acting on acid anhydrides) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.* inhibitors" RELATED [ChEBI] synonym: "EC 3.6.*.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.*.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of hydrolase acting on acid anhydride (EC 3.6.*)" RELATED [ChEBI] synonym: "inhibitors of hydrolase acting on acid anhydride (EC 3.6.*)" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:73240 name: NF-kappaB inhibitor namespace: chebi_ontology def: "An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA." [] subset: 3_STAR synonym: "NF-kappaB inhibitors" RELATED [ChEBI] synonym: "nuclear factor kappa-light-chain-enhancer of activated B cells inhibitor" RELATED [ChEBI] synonym: "nuclear factor kappa-light-chain-enhancer of activated B cells inhibitors" RELATED [ChEBI] xref: Wikipedia:NF-%CE%BAB is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:73263 name: cyclooxygenase 3 inhibitor namespace: chebi_ontology def: "A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 3." [] subset: 3_STAR synonym: "COX-3 inhibitor" RELATED [ChEBI] synonym: "COX-3 inhibitors" RELATED [ChEBI] synonym: "cyclo-oxygenase 3 inhibitor" RELATED [ChEBI] synonym: "cyclo-oxygenase 3 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase 3 inhibitors" RELATED [ChEBI] synonym: "cyclooxygenase-3 inhibitor" RELATED [ChEBI] synonym: "cyclooxygenase-3 inhibitors" RELATED [ChEBI] xref: PMID:12242329 {source="Europe PMC"} xref: PMID:12374850 {source="Europe PMC"} xref: PMID:14592546 {source="Europe PMC"} xref: Wikipedia:COX-3 is_a: CHEBI:35544 ! EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] id: CHEBI:73267 name: oxidative phosphorylation inhibitor namespace: chebi_ontology def: "Any compound that inhibits oxidative phosphorylation." [] subset: 3_STAR synonym: "oxidative phosphorylation inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:73311 name: adenosine receptor agonist namespace: chebi_ontology def: "An agonist at any adenosine receptor." [] subset: 3_STAR synonym: "adenosine receptor agonist" EXACT [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:73333 name: scabicide namespace: chebi_ontology def: "An acaricide that kills mites of the genus Sarcoptes." [] subset: 3_STAR synonym: "scabicides" RELATED [ChEBI] xref: Wikipedia:Scabicide is_a: CHEBI:22153 ! acaricide [Term] id: CHEBI:73335 name: ultraviolet filter namespace: chebi_ontology def: "A photochemical role realized in the absorption of ultraviolet light, for example to protect skin cells from damage." [] subset: 3_STAR synonym: "ultraviolet filters" RELATED [ChEBI] synonym: "UV filter" RELATED [ChEBI] synonym: "UV filters" RELATED [ChEBI] xref: Wikipedia:UV_filter is_a: CHEBI:52215 ! photochemical role [Term] id: CHEBI:73336 name: vulnerary namespace: chebi_ontology def: "A drug used in treating and healing of wounds." [] subset: 3_STAR synonym: "vulneraries" RELATED [ChEBI] synonym: "wound-healing agent" RELATED [ChEBI] synonym: "wound-healing agents" RELATED [ChEBI] synonym: "wound-healing drug" RELATED [ChEBI] synonym: "wound-healing drugs" RELATED [ChEBI] xref: Wikipedia:Wound_healing is_a: CHEBI:23888 ! drug [Term] id: CHEBI:73359 name: alpha-CH2-containing aldehyde namespace: chebi_ontology alt_id: CHEBI:77661 def: "An aldehyde of general formula R-CH2-CH=O in which the aldehydic C=O function is attached to a CH2 group at the alpha-position." [] subset: 3_STAR synonym: "a 2,3-saturated aldehyde" RELATED [UniProt] synonym: "alpha-CH2-containing aldehydes" RELATED [ChEBI] synonym: "alpha-methylene aldehyde" RELATED [ChEBI] synonym: "alpha-methylene aldehydes" RELATED [ChEBI] is_a: CHEBI:17478 ! aldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "43.04460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.01839" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]CC=O" xsd:string [Term] id: CHEBI:73360 name: EC 3.4.11.18 (methionyl aminopeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.11.* (aminopeptidase) inhibitor that interferes with the action of methionyl aminopeptidase (EC 3.4.11.18)." [] subset: 3_STAR synonym: "EC 3.4.11.18 (methionyl aminopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.18 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.11.18 inhibitors" RELATED [ChEBI] synonym: "L-methionine aminopeptidase inhibitor" RELATED [ChEBI] synonym: "L-methionine aminopeptidase inhibitors" RELATED [ChEBI] synonym: "MAP inhibitor" RELATED [ChEBI] synonym: "MAP inhibitors" RELATED [ChEBI] synonym: "methionine aminopeptidase inhibitor" RELATED [ChEBI] synonym: "methionine aminopeptidase inhibitors" RELATED [ChEBI] synonym: "methionyl aminopeptidase (EC 3.4.11.18) inhibitor" RELATED [ChEBI] synonym: "methionyl aminopeptidase (EC 3.4.11.18) inhibitors" RELATED [ChEBI] synonym: "methionyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "methionyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "peptidase M inhibitor" RELATED [ChEBI] synonym: "peptidase M inhibitors" RELATED [ChEBI] xref: Wikipedia:Methionyl_aminopeptidase is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor [Term] id: CHEBI:73361 name: methionine aminopeptidase 2 inhibitor namespace: chebi_ontology def: "Any methionyl aminopeptidase inhibitor that inhibits the action of methionyl aminopeptidase 2." [] subset: 3_STAR synonym: "MAP2 inhibitor" RELATED [ChEBI] synonym: "MAP2 inhibitors" RELATED [ChEBI] synonym: "METAP2 inhibitor" RELATED [ChEBI] synonym: "MetAP2 inhibitor" RELATED [ChEBI] synonym: "METAP2 inhibitors" RELATED [ChEBI] synonym: "MetAP2 inhibitors" RELATED [ChEBI] synonym: "methionine aminopeptidase 2 inhibitors" RELATED [ChEBI] synonym: "methionine aminopeptidase-2 inhibitor" RELATED [ChEBI] synonym: "methionine aminopeptidase-2 inhibitors" RELATED [ChEBI] xref: Wikipedia:METAP2 is_a: CHEBI:73360 ! EC 3.4.11.18 (methionyl aminopeptidase) inhibitor [Term] id: CHEBI:73398 name: indole skeleton namespace: chebi_ontology def: "A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring." [] subset: 3_STAR is_a: CHEBI:73541 ! organic heterobicyclic ring property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.09230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C2C(=C1*)N(C(=C2*)*)*)*)*)*" xsd:string [Term] id: CHEBI:73474 name: acetylenic compound namespace: chebi_ontology def: "Any organic molecule containing a C#C bond." [] subset: 3_STAR synonym: "acetylenic compounds" RELATED [ChEBI] synonym: "C#C containing compound" RELATED [ChEBI] synonym: "C#C containing compounds" RELATED [ChEBI] synonym: "C#C-containing compound" RELATED [ChEBI] synonym: "C#C-containing compounds" RELATED [ChEBI] is_a: CHEBI:72695 ! organic molecule property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "24.021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "24.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C#C[*]" xsd:string [Term] id: CHEBI:73477 name: terminal acetylenic compound namespace: chebi_ontology def: "An acetylenic compound which a carbon of the C#C moiety is attached to a hydrogen atom." [] subset: 3_STAR synonym: "C#C-H containing compound" RELATED [ChEBI] synonym: "C#C-H containing compounds" RELATED [ChEBI] synonym: "C#CH containing compound" RELATED [ChEBI] synonym: "C#CH containing compounds" RELATED [ChEBI] synonym: "terminal acetylenic compounds" RELATED [ChEBI] is_a: CHEBI:73474 ! acetylenic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "25.029" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "25.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C#C[*]" xsd:string [Term] id: CHEBI:73539 name: naphthyridine derivative namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound that is a derivative of a naphthyridine." [] subset: 3_STAR synonym: "naphthyridine derivatives" RELATED [ChEBI] is_a: CHEBI:27171 ! organic heterobicyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound relationship: has_parent_hydride CHEBI:36624 ! naphthyridine [Term] id: CHEBI:73541 name: organic heterobicyclic ring namespace: chebi_ontology def: "A bicyclic organic group that contains both carbon and hetero atoms." [] subset: 3_STAR synonym: "organic heterobicyclic rings" RELATED [ChEBI] is_a: CHEBI:52845 ! cyclic organic group [Term] id: CHEBI:73558 name: D3 vitamins namespace: chebi_ontology def: "A vitamin D that is calciol or its hydroxylated metabolites calcidiol and calcitriol. Calciol (also known as vitamin D3) acts as a hormone precursor, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone." [] subset: 3_STAR synonym: "D3 vitamin" RELATED [ChEBI] synonym: "vitamin D3s" RELATED [ChEBI] is_a: CHEBI:27300 ! vitamin D property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:73690 name: erythrose 4-phosphate/phosphoenolpyruvate family amino acid namespace: chebi_ontology def: "An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class." [] subset: 3_STAR synonym: "erythrose 4-phosphate and phosphoenolpyruvate family amino acid" RELATED [ChEBI] synonym: "erythrose 4-phosphate and phosphoenolpyruvate family amino acids" RELATED [ChEBI] synonym: "erythrose 4-phosphate family amino acid" RELATED [ChEBI] synonym: "erythrose 4-phosphate family amino acids" RELATED [ChEBI] synonym: "erythrose 4-phosphate/phosphoenolpyruvate family amino acids" RELATED [ChEBI] synonym: "phosphoenolpyruvate family amino acid" RELATED [ChEBI] synonym: "phosphoenolpyruvate family amino acids" RELATED [ChEBI] is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid [Term] id: CHEBI:73693 name: ketone body namespace: chebi_ontology def: "A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides." [] subset: 3_STAR synonym: "ketone bodies" RELATED [ChEBI] xref: PMID:10634967 {source="Europe PMC"} xref: PMID:19159745 {source="Europe PMC"} xref: PMID:22259088 {source="Europe PMC"} xref: PMID:22268909 {source="Europe PMC"} xref: PMID:22524563 {source="Europe PMC"} xref: PMID:22879057 {source="Europe PMC"} xref: PMID:23082721 {source="Europe PMC"} xref: PMID:23148246 {source="Europe PMC"} xref: PMID:23396451 {source="Europe PMC"} xref: PMID:23466063 {source="Europe PMC"} xref: PMID:23557707 {source="Europe PMC"} xref: Wikipedia:Ketone_body is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:61697 ! fatty acid derivative relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:63726 ! neuroprotective agent [Term] id: CHEBI:73716 name: diazomethane namespace: chebi_ontology def: "The simplest diazo compound, in which a diazo group is attached to a methylene group." [] subset: 3_STAR synonym: "acomethylene" RELATED [NIST_Chemistry_WebBook] synonym: "azimethylene" RELATED [NIST_Chemistry_WebBook] synonym: "diazirine" RELATED [NIST_Chemistry_WebBook] synonym: "diazomethane" EXACT IUPAC_NAME [IUPAC] synonym: "diazonium methylide" RELATED [ChemIDplus] synonym: "EINECS 206-382-7" RELATED [ChemIDplus] xref: CAS:334-88-3 {source="NIST Chemistry WebBook"} xref: CAS:334-88-3 {source="KEGG COMPOUND"} xref: CAS:334-88-3 {source="ChemIDplus"} xref: KEGG:C19387 xref: PMID:20885373 {source="Europe PMC"} xref: PMID:21618376 {source="Europe PMC"} xref: PMID:6675207 {source="Europe PMC"} xref: Reaxys:102415 {source="Reaxys"} xref: Wikipedia:Diazomethane is_a: CHEBI:39444 ! diazo compound relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:64909 ! poison property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2N2/c1-3-2/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXHKONLOYHBTNS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.04000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.02180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=[N+]=[N-]" xsd:string [Term] id: CHEBI:73754 name: thiosugar namespace: chebi_ontology def: "A carbohydrate derivative in which one or more of the oxygens or hydroxy groups of the parent carbohydrate is replaced by sulfur or -SR, where R can be hydrogen or any group." [] subset: 3_STAR synonym: "thiosugars" RELATED [ChEBI] xref: PMID:16240117 {source="Europe PMC"} xref: PMID:23330717 {source="Europe PMC"} is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:63299 ! carbohydrate derivative [Term] id: CHEBI:73755 name: 1,2-dimethylhydrazine namespace: chebi_ontology def: "A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice." [] subset: 3_STAR synonym: "(CH3NH)2" RELATED [NIST_Chemistry_WebBook] synonym: "(MeNH)2" RELATED [ChEBI] synonym: "1,2-Dimethylhydrazin" RELATED [ChemIDplus] synonym: "1,2-dimethylhydrazine" EXACT IUPAC_NAME [IUPAC] synonym: "1,2-DMH" RELATED [ChemIDplus] synonym: "DMH" RELATED [ChemIDplus] synonym: "hydrazomethane" RELATED [NIST_Chemistry_WebBook] synonym: "MeNHNHMe" RELATED [ChEBI] synonym: "N,N'-dimethylhydrazine" RELATED [ChEBI] synonym: "SDMH" RELATED [ChemIDplus] synonym: "sym-dimethylhydrazine" RELATED [ChemIDplus] synonym: "symmetrical-dimethylhydrazine" RELATED [ChemIDplus] xref: CAS:540-73-8 {source="KEGG COMPOUND"} xref: CAS:540-73-8 {source="ChemIDplus"} xref: CAS:540-73-8 {source="NIST Chemistry WebBook"} xref: KEGG:C19176 xref: PMID:21193881 {source="Europe PMC"} xref: Reaxys:1730826 {source="Reaxys"} xref: Wikipedia:1\,2-dimethylhydrazine is_a: CHEBI:24631 ! hydrazines relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: is_conjugate_base_of CHEBI:73760 ! 1,2-dimethylhydrazine(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIIIISSCIXVANO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNNC" xsd:string [Term] id: CHEBI:73760 name: 1,2-dimethylhydrazine(2+) namespace: chebi_ontology def: "An organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine." [] subset: 3_STAR synonym: "1,2-dimethyldiazanediium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:73755 ! 1,2-dimethylhydrazine property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H10N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H10N2/c1-3-4-2/h3-4H2,1-2H3/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HINNVIATDCXOGW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "62.11420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.08330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+][NH2+]C" xsd:string [Term] id: CHEBI:73913 name: antifolate namespace: chebi_ontology def: "An antimetabolite that impairs the action of folic acids" [] subset: 3_STAR synonym: "antifolates" RELATED [ChEBI] synonym: "folic acid antagonist" RELATED [ChEBI] synonym: "folic acid antagonists" RELATED [ChEBI] xref: Wikipedia:Antifolate is_a: CHEBI:35221 ! antimetabolite [Term] id: CHEBI:73992 name: alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose namespace: chebi_ontology def: "A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond." [] subset: 3_STAR synonym: "2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranose" RELATED [ChEBI] synonym: "2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranose" RELATED [ChEBI] synonym: "alpha-L-Rhap-(1->2)-beta-D-Glcp" RELATED [ChEBI] synonym: "Neohesperidose" RELATED [KEGG_COMPOUND] xref: CAS:17074-02-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0029523 xref: KEGG:C08244 xref: KNApSAcK:C00001143 xref: PMID:22484948 {source="Europe PMC"} xref: PMID:23221119 {source="Europe PMC"} xref: Reaxys:1290802 {source="Reaxys"} xref: Wikipedia:Neohesperidose is_a: CHEBI:24405 ! glycosylglucose relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSRVRBXGIRFARR-OUEGHFHCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.29710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.12130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:74136 name: lachrymator namespace: chebi_ontology def: "Any substance that stimulates the corneal nerves in the eves to cause tears." [] subset: 3_STAR synonym: "lachrymators" RELATED [ChEBI] xref: PMID:4919431 {source="Europe PMC"} is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:74213 name: EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor namespace: chebi_ontology def: "An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that inhibits the action of ribonucleoside-diphosphate reductase (EC 1.17.4.1)." [] subset: 3_STAR synonym: "2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "2'-deoxyribonucleoside-diphosphate:thioredoxin-disulfide 2'-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "ADP reductase inhibitor" RELATED [ChEBI] synonym: "ADP reductase inhibitors" RELATED [ChEBI] synonym: "CDP reductase inhibitor" RELATED [ChEBI] synonym: "CDP reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.17.4.1 inhibitors" RELATED [ChEBI] synonym: "nucleoside diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "nucleoside diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleoside diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleoside diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitor" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase (EC 1.17.4.1) inhibitors" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleoside-diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleotide diphosphate reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleotide diphosphate reductase inhibitors" RELATED [ChEBI] synonym: "ribonucleotide reductase inhibitor" RELATED [ChEBI] synonym: "ribonucleotide reductase inhibitors" RELATED [ChEBI] synonym: "RR inhibitor" RELATED [ChEBI] synonym: "RR inhibitors" RELATED [ChEBI] synonym: "UDP reductase inhibitor" RELATED [ChEBI] synonym: "UDP reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Ribonucleoside-diphosphate_reductase is_a: CHEBI:76848 ! EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor [Term] id: CHEBI:74222 name: gamma-lactam namespace: chebi_ontology def: "A lactam in which the amide bond is contained within a five-membered ring, which includes the amide nitrogen and the carbonyl carbon." [] subset: 3_STAR synonym: "gamma-lactams" RELATED [ChEBI] is_a: CHEBI:24995 ! lactam [Term] id: CHEBI:74223 name: pyrrolidin-2-ones namespace: chebi_ontology def: "A pyrrolidinone in which the oxo group is at position 2 of the pyrrolidine ring." [] subset: 3_STAR synonym: "2-pyrrolidinones" RELATED [ChEBI] synonym: "2-pyrrolidones" RELATED [ChEBI] synonym: "pyrrolidine-2-ones" RELATED [ChEBI] is_a: CHEBI:38275 ! pyrrolidinone is_a: CHEBI:74222 ! gamma-lactam property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4NOR7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.04890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.99799" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N1C(=O)C([*])([*])C([*])([*])C1([*])[*]" xsd:string [Term] id: CHEBI:74234 name: EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the activity of sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming), EC 1.1.1.153, which plays an important part in the biosynthesis of tetrahydrobiopterin." [] subset: 3_STAR synonym: "7,8-dihydrobiopterin:NADP(+) oxidoreductase" RELATED [ChEBI] synonym: "7,8-dihydrobiopterin:NADP(+) oxidoreductases" RELATED [ChEBI] synonym: "EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.153 (sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitors" RELATED [ChEBI] synonym: "L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-erythro-7,8-dihydrobiopterin:NADP(+) oxidoreductase inhibitors" RELATED [ChEBI] synonym: "sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitor" RELATED [ChEBI] synonym: "sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) (EC 1.1.1.153) inhibitors" RELATED [ChEBI] synonym: "sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitor" RELATED [ChEBI] synonym: "sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming) inhibitors" RELATED [ChEBI] synonym: "sepiapterin reductase inhibitor" RELATED [ChEBI] synonym: "sepiapterin reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Sepiapterin_reductase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:74236 name: polymerisation monomer namespace: chebi_ontology def: "Any compound used as a monomer for a polymerisation process. The term is generally used in relation to industrial polymerisation processes." [] subset: 3_STAR synonym: "polymerization monomer" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:74266 name: N-acylurea namespace: chebi_ontology def: "A member of the class of ureas that has the general formula R-CO-NH-CO-NH2 or R-CO-NH-CO-NH-CO-R', formally derived by the acylation of one or both of the nitrogens of a urea moiety." [] subset: 3_STAR synonym: "N-acylureas" RELATED [ChEBI] synonym: "ureide" RELATED [ChEBI] synonym: "ureides" RELATED [ChEBI] is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:74338 name: D-valine zwitterion namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-valine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-methylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-valine" RELATED [UniProt] xref: MetaCyc:CPD-3642 is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:27477 ! D-valine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-SCSAIBSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)[C@@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:74422 name: 4'-demethylepipodophyllotoxin namespace: chebi_ontology def: "An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin." [] subset: 3_STAR synonym: "(-)-4'-demethylepipodophyllotoxin" RELATED [ChEBI] synonym: "(5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one" EXACT IUPAC_NAME [IUPAC] synonym: "4'-demethyl-9-epipodophyllotoxin" RELATED [ChEBI] synonym: "4'-demethylepipodophyllotoxin" EXACT [UniProt] synonym: "4'-O-demethyl-4-epipodophyllotoxin" RELATED [ChEBI] synonym: "4'-O-demethylepipodophyllotoxin" RELATED [ChEBI] synonym: "DMEP" RELATED [ChEBI] synonym: "epi-4'-demethylpodophyllotoxin" RELATED [ChEBI] xref: CAS:6559-91-7 {source="ChemIDplus"} xref: PMID:15246103 {source="Europe PMC"} xref: PMID:19396467 {source="Europe PMC"} xref: PMID:21398491 {source="Europe PMC"} xref: PMID:21706170 {source="Europe PMC"} xref: Reaxys:1358259 {source="Reaxys"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:50307 ! furonaphthodioxole relationship: has_role CHEBI:35610 ! antineoplastic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVCVYCSAAZQOJI-JHQYFNNDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.37870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "400.11582" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O" xsd:string [Term] id: CHEBI:74529 name: antidote to paracetamol poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of paracetamol (acetaminophen)." [] subset: 3_STAR synonym: "acetaminophen poisoning antidote" RELATED [ChEBI] synonym: "acetaminophen poisoning antidotes" RELATED [ChEBI] synonym: "antidote to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidote to Tylenol poisoning" RELATED [ChEBI] synonym: "antidotes to acetaminophen poisoning" RELATED [ChEBI] synonym: "antidotes to paracetamol poisoning" RELATED [ChEBI] synonym: "antidotes to Tylenol poisoning" RELATED [ChEBI] synonym: "paracetamol poisoning antidote" RELATED [ChEBI] synonym: "paracetamol poisoning antidotes" RELATED [ChEBI] synonym: "Tylenol poisoning antidote" RELATED [ChEBI] synonym: "Tylenol poisoning antidotes" RELATED [ChEBI] xref: PMID:16354242 {source="Europe PMC"} xref: PMID:16573399 {source="Europe PMC"} xref: PMID:16575097 {source="Europe PMC"} xref: PMID:22348679 {source="Europe PMC"} xref: PMID:22352734 {source="Europe PMC"} xref: PMID:22353666 {source="Europe PMC"} xref: PMID:22835053 {source="Europe PMC"} xref: PMID:22998987 {source="Europe PMC"} xref: PMID:7112203 {source="Europe PMC"} is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:74530 name: antidote to curare poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralize the deleterious effects of curare." [] subset: 3_STAR synonym: "antidote to curare" RELATED [ChEBI] synonym: "antidote to tubocurarine" RELATED [ChEBI] synonym: "antidote to tubocurarine poisoning" RELATED [ChEBI] synonym: "antidotes to curare" RELATED [ChEBI] synonym: "antidotes to curare poisoning" RELATED [ChEBI] synonym: "antidotes to tubocurarine" RELATED [ChEBI] synonym: "antidotes to tubocurarine poisoning" RELATED [ChEBI] synonym: "curare antidote" RELATED [ChEBI] synonym: "curare antidotes" RELATED [ChEBI] synonym: "curare poisoning antidote" RELATED [ChEBI] synonym: "curare poisoning antidotes" RELATED [ChEBI] synonym: "tubocurarine antidote" RELATED [ChEBI] synonym: "tubocurarine antidotes" RELATED [ChEBI] xref: PMID:13358565 {source="Europe PMC"} xref: PMID:13386996 {source="Europe PMC"} xref: PMID:14128111 {source="Europe PMC"} xref: PMID:1579914 {source="Europe PMC"} xref: PMID:3896015 {source="Europe PMC"} xref: PMID:5333582 {source="Europe PMC"} xref: PMID:5352084 {source="Europe PMC"} xref: PMID:7720787 {source="Europe PMC"} is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:74544 name: 1-oleoyl-sn-glycero-3-phosphate(2-) namespace: chebi_ontology def: "A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-sn-glycero-3-phosphate." [] subset: 3_STAR synonym: "(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "1-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2-)" RELATED [SUBMITTER] synonym: "1-(9Z-octadecenoyl)-sn-glycero-3-phosphate" RELATED [UniProt] synonym: "1-(Z)-octadec-9-enoyl-sn-glycero-3-phosphate(2-)" RELATED [ChEBI] synonym: "1-oleoylglycero-3-phosphate(2-)" RELATED [SUBMITTER] is_a: CHEBI:57970 ! 1-acyl-sn-glycerol 3-phosphate(2-) is_a: CHEBI:84973 ! oleoyl-sn-glycero-3-phosphate(2-) relationship: is_conjugate_base_of CHEBI:62837 ! 1-oleoyl-sn-glycerol 3-phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H39O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/p-2/b10-9-/t20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WRGQSWVCFNIUNZ-GDCKJWNLSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.50390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "434.24444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O" xsd:string [Term] id: CHEBI:74634 name: cardenolides namespace: chebi_ontology def: "Any steroid lactone that is a C23 steroid with a five-membered lactone ring at C-17 and its substituted derivatives. They form the aglycone constituents of cardiac glycosides." [] subset: 3_STAR is_a: CHEBI:26766 ! steroid lactone is_a: CHEBI:50523 ! butenolide [Term] id: CHEBI:7465 name: naltrexone namespace: chebi_ontology def: "An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence." [] subset: 3_STAR synonym: "17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one" RELATED [ChemIDplus] synonym: "17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one" RELATED [ChemIDplus] synonym: "3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "N-Cyclopropylmethyl-14-hydroxydihydromorphinone" RELATED [ChemIDplus] synonym: "N-Cyclopropylmethylnoroxymorphone" RELATED [ChemIDplus] synonym: "Naltrexone" EXACT [KEGG_COMPOUND] synonym: "naltrexone" RELATED INN [ChemIDplus] xref: Beilstein:3596648 {source="Beilstein"} xref: CAS:16590-41-3 {source="ChemIDplus"} xref: CAS:16590-41-3 {source="NIST Chemistry WebBook"} xref: CAS:16590-41-3 {source="KEGG COMPOUND"} xref: Drug_Central:1765 {source="DrugCentral"} xref: DrugBank:DB00704 xref: HMDB:HMDB0014842 xref: KEGG:C07253 xref: KEGG:D05113 xref: LINCS:LSM-3962 xref: Patent:US3332950 xref: PMID:17023477 {source="Europe PMC"} xref: PMID:24107112 {source="Europe PMC"} xref: PMID:24659754 {source="Europe PMC"} xref: PMID:27690505 {source="Europe PMC"} xref: PMID:27700187 {source="Europe PMC"} xref: PMID:27787292 {source="Europe PMC"} xref: PMID:27813192 {source="Europe PMC"} xref: PMID:27875802 {source="Europe PMC"} xref: PMID:27922226 {source="Europe PMC"} xref: PMID:27936293 {source="Europe PMC"} xref: PMID:27987236 {source="Europe PMC"} xref: PMID:28011389 {source="Europe PMC"} xref: PMID:28029718 {source="Europe PMC"} xref: PMID:28044452 {source="Europe PMC"} xref: PMID:28061017 {source="Europe PMC"} xref: PMID:28068780 {source="Europe PMC"} xref: PMID:28106937 {source="Europe PMC"} xref: PMID:28118565 {source="Europe PMC"} xref: PMID:28130024 {source="Europe PMC"} xref: PMID:28144772 {source="Europe PMC"} xref: PMID:28153651 {source="Europe PMC"} xref: PMID:28161142 {source="Europe PMC"} xref: PMID:28168894 {source="Europe PMC"} xref: PMID:28184294 {source="Europe PMC"} xref: Reaxys:3596648 {source="Reaxys"} xref: Wikipedia:Naltrexone is_a: CHEBI:38164 ! organic heteropentacyclic compound is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:83818 ! morphinane-like compound relationship: has_role CHEBI:35488 ! central nervous system depressant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50137 ! mu-opioid receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:90755 ! antidote to opioid poisoning relationship: is_conjugate_base_of CHEBI:134688 ! naltrexone(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H23NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DQCKKXVULJGBQN-XFWGSAIBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "341.40096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "341.16271" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1" xsd:string [Term] id: CHEBI:7476 name: naproxen namespace: chebi_ontology alt_id: CHEBI:603695 def: "A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes." [] subset: 3_STAR synonym: "(+)-(S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid" RELATED [ChemIDplus] synonym: "(+)-(S)-Naproxen" RELATED [ChemIDplus] synonym: "(+)-2-(6-Methoxy-2-naphthyl)propionic acid" RELATED [ChemIDplus] synonym: "(+)-2-(Methoxy-2-naphthyl)-propionic acid" RELATED [ChemIDplus] synonym: "(+)-2-(Methoxy-2-naphthyl)-propionsaeure" RELATED [ChemIDplus] synonym: "(+)-Naproxen" RELATED [ChemIDplus] synonym: "(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid" RELATED [ChemIDplus] synonym: "(S)-(+)-Naproxen" RELATED [ChemIDplus] synonym: "(S)-2-(6-Methoxy-2-naphthyl)propanoic acid" RELATED [ChemIDplus] synonym: "(S)-2-(6-Methoxy-2-naphthyl)propionic acid" RELATED [ChemIDplus] synonym: "(S)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid" RELATED [ChemIDplus] synonym: "(S)-Naproxen" RELATED [ChemIDplus] synonym: "Naproxen" EXACT [KEGG_COMPOUND] synonym: "naproxen" EXACT [ChEMBL] synonym: "naproxen" RELATED INN [DrugBank] synonym: "naproxene" RELATED INN [ChemIDplus] synonym: "naproxeno" RELATED INN [ChemIDplus] synonym: "naproxenum" RELATED INN [ChemIDplus] xref: Beilstein:3591067 {source="Beilstein"} xref: CAS:22204-53-1 {source="KEGG COMPOUND"} xref: CAS:22204-53-1 {source="ChemIDplus"} xref: Drug_Central:1883 {source="DrugCentral"} xref: DrugBank:DB00788 xref: HMDB:HMDB0001923 xref: KEGG:D00118 xref: LINCS:LSM-5689 xref: Patent:US3904682 xref: Patent:US4009197 xref: PMID:18044350 {source="Europe PMC"} xref: PMID:24478225 {source="Europe PMC"} xref: PMID:9784154 {source="ChEMBL"} xref: Wikipedia:Naproxen is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:48851 ! methoxynaphthalene relationship: has_role CHEBI:35475 ! non-steroidal anti-inflammatory drug relationship: has_role CHEBI:35481 ! non-narcotic analgesic relationship: has_role CHEBI:35493 ! antipyretic relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35845 ! gout suppressant relationship: has_role CHEBI:50629 ! cyclooxygenase 2 inhibitor relationship: has_role CHEBI:50630 ! cyclooxygenase 1 inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:59527 ! naproxen(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CMWTZPSULFXXJA-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.25920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O" xsd:string [Term] id: CHEBI:74783 name: astringent namespace: chebi_ontology def: "A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions." [] subset: 3_STAR synonym: "adstringent" RELATED [ChEBI] synonym: "adstringents" RELATED [ChEBI] synonym: "astringents" RELATED [ChEBI] xref: Wikipedia:Astringent is_a: CHEBI:23888 ! drug [Term] id: CHEBI:74818 name: heteroaryl hydroxy compound namespace: chebi_ontology def: "Any organic aromatic compound having one or more hydroxy groups attached to a heteroarene ring." [] subset: 3_STAR synonym: "hetaryl hydroxy compound" RELATED [ChEBI] synonym: "hetaryl hydroxy compounds" RELATED [ChEBI] synonym: "heteroaromatic hydroxy compound" RELATED [ChEBI] synonym: "heteroaromatic hydroxy compounds" RELATED [ChEBI] synonym: "heteroaryl hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:74880 name: 1-dodecylguanidine namespace: chebi_ontology def: "A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide." [] subset: 3_STAR synonym: "1-dodecylguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1-laurylguanidine" RELATED [ChEBI] synonym: "C12-G" RELATED [ChEBI] synonym: "dodecylguanidine" RELATED [ChemIDplus] synonym: "laurylguanidine" RELATED [ChEBI] synonym: "n-dodecylguanidine" RELATED [ChEBI] xref: CAS:112-65-2 {source="ChemIDplus"} xref: PMID:7623770 {source="Europe PMC"} xref: Reaxys:637515 {source="Reaxys"} is_a: CHEBI:24436 ! guanidines is_a: CHEBI:86417 ! aliphatic nitrogen antifungal agent relationship: has_part CHEBI:23870 ! dodecyl group relationship: has_part CHEBI:48551 ! guanidino group relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:86328 ! antifungal agrochemical relationship: is_conjugate_base_of CHEBI:74887 ! 1-dodecylguanidine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H29N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HILAYQUKKYWPJW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.38950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.23615" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCNC(N)=N" xsd:string [Term] id: CHEBI:74887 name: 1-dodecylguanidine(1+) namespace: chebi_ontology def: "A guanidinium ion resulting from the protonation of the imino nitrogen of 1-dodecylguanidine. The major species at pH 7.3." [] subset: 3_STAR synonym: "1-dodecylguanidinium" RELATED [ChEBI] synonym: "1-laurylguanidine(1+)" RELATED [ChEBI] synonym: "1-laurylguanidinium" RELATED [ChEBI] synonym: "amino(dodecylamino)methaniminium" EXACT IUPAC_NAME [IUPAC] synonym: "laurylguanidine(1+)" RELATED [ChEBI] synonym: "laurylguanidinium" RELATED [ChEBI] synonym: "n-dodecylguanidine(1+)" RELATED [ChEBI] synonym: "n-dodecylguanidinium" RELATED [ChEBI] is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:74880 ! 1-dodecylguanidine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H30N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HILAYQUKKYWPJW-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.39740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.24342" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCNC(N)=[NH2+]" xsd:string [Term] id: CHEBI:74961 name: raffinose family oligosaccharide namespace: chebi_ontology def: "Any oligosaccharide that has a biosynthetic pathway in common with that of raffinose." [] subset: 3_STAR synonym: "raffinose family oligosaccharides" RELATED [ChEBI] xref: PMID:23621405 {source="Europe PMC"} xref: PMID:23727589 {source="Europe PMC"} xref: PMID:23879777 {source="Europe PMC"} xref: PMID:23882273 {source="Europe PMC"} is_a: CDNO:0000006 ! soluble dietary fibre is_a: CHEBI:50699 ! oligosaccharide property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:75050 name: chromogenic compound namespace: chebi_ontology def: "Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates." [] subset: 3_STAR synonym: "chromogen" RELATED [ChEBI] synonym: "chromogenic compounds" RELATED [ChEBI] synonym: "chromogens" RELATED [ChEBI] is_a: CHEBI:50411 ! one-colour indicator [Term] id: CHEBI:75095 name: chrysin namespace: chebi_ontology alt_id: CHEBI:3683 def: "A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7." [] subset: 3_STAR synonym: "5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one" RELATED [] synonym: "5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one" RELATED [] synonym: "5,7-dihydroxy-2-phenylchromen-4-one" RELATED [] synonym: "5,7-Dihydroxyflavone" RELATED [] xref: Beilstein:233276 xref: CAS:480-40-0 xref: HMDB:HMDB0036619 xref: KEGG:C10028 xref: KNApSAcK:C00003794 xref: LINCS:LSM-6566 xref: LIPID_MAPS_instance:LMPK12110189 xref: MetaCyc:CPD-8184 xref: PDBeChem:57D xref: PMID:1772594 xref: PMID:21544919 xref: PMID:22864849 xref: PMID:22991264 xref: PMID:23104078 xref: PMID:23125118 xref: PMID:23194824 xref: PMID:23256457 xref: PMID:23296950 xref: PMID:23357962 xref: PMID:23468207 xref: PMID:23536316 xref: PMID:23636231 xref: PMID:23744338 xref: PMID:23888052 xref: PMID:23945741 xref: PMID:23962900 xref: Reaxys:233276 xref: Wikipedia:Chrysin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTIXKCRFFJGDFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.23750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:75190 name: EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor namespace: chebi_ontology def: "An EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor that interferes with the action of lysine 2,3-aminomutase (EC 5.4.3.2)." [] subset: 3_STAR synonym: "EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitors" RELATED [ChEBI] synonym: "EC 5.4.3.2 inhibitor" RELATED [ChEBI] synonym: "EC 5.4.3.2 inhibitors" RELATED [ChEBI] synonym: "L-lysine 2,3-aminomutase inhibitor" RELATED [ChEBI] synonym: "L-lysine 2,3-aminomutase inhibitors" RELATED [ChEBI] synonym: "lysine 2,3-aminomutase (EC 5.4.3.2) inhibitor" RELATED [ChEBI] synonym: "lysine 2,3-aminomutase (EC 5.4.3.2) inhibitors" RELATED [ChEBI] synonym: "lysine 2,3-aminomutase inhibitor" RELATED [ChEBI] synonym: "lysine 2,3-aminomutase inhibitors" RELATED [ChEBI] is_a: CHEBI:76829 ! EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor [Term] id: CHEBI:75212 name: dazomet namespace: chebi_ontology def: "A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide." [] subset: 3_STAR synonym: "2-thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine" RELATED [ChemIDplus] synonym: "3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione" RELATED [ChemIDplus] synonym: "3,5-dimethyl-1,3,5-thiadiazinane-2-thione" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine" RELATED [ChemIDplus] synonym: "3,5-dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione" RELATED [ChemIDplus] synonym: "3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione" RELATED [ChemIDplus] synonym: "3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione" RELATED [ChemIDplus] synonym: "Basamid" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Crag 974" RELATED BRAND_NAME [ChemIDplus] synonym: "Dazoberg" RELATED BRAND_NAME [ChEBI] synonym: "dimethylformocarbothialdine" RELATED [ChemIDplus] synonym: "DMTT" RELATED [ChemIDplus] synonym: "Mylone" RELATED BRAND_NAME [ChemIDplus] synonym: "NSC 4737" RELATED [NIST_Chemistry_WebBook] synonym: "tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione" RELATED [ChemIDplus] synonym: "tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione" RELATED [ChemIDplus] synonym: "Tiazon" RELATED [ChEBI] synonym: "UCC 974" RELATED [ChemIDplus] xref: AGR:IND43742540 {source="Europe PMC"} xref: AGR:IND44217344 {source="Europe PMC"} xref: AGR:IND89053727 {source="Europe PMC"} xref: AGR:IND90028778 {source="Europe PMC"} xref: CAS:533-74-4 {source="KEGG COMPOUND"} xref: CAS:533-74-4 {source="ChemIDplus"} xref: CAS:533-74-4 {source="NIST Chemistry WebBook"} xref: KEGG:C18457 xref: PMID:18399425 {source="Europe PMC"} xref: PMID:22228481 {source="Europe PMC"} xref: PMID:22522815 {source="Europe PMC"} xref: PMID:4736772 {source="Europe PMC"} xref: PMID:786239 {source="Europe PMC"} xref: PPDB:203 xref: Reaxys:116039 {source="Reaxys"} is_a: CHEBI:38129 ! dithiocarbamic ester is_a: CHEBI:38781 ! thiadiazinane relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAYICIQNSGETAS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.27600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.02854" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN1CSC(=S)N(C)C1" xsd:string [Term] id: CHEBI:75281 name: myclobutanil namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-myclobutanil. A sterol demethylation inhibitor, it is a widely-used agricultural fungicide." [] subset: 3_STAR synonym: "(+-)-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" RELATED [ChEBI] synonym: "(+-)-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile" RELATED [ChemIDplus] synonym: "(+-)-myclobutanil" RELATED [ChemIDplus] synonym: "HOE 39304F" RELATED [ChemIDplus] synonym: "Nova" RELATED BRAND_NAME [ChemIDplus] synonym: "rac-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "rac-2-p-chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" RELATED [ChEBI] synonym: "rac-alpha-butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile" RELATED [ChEBI] synonym: "rac-myclobutanil" RELATED [ChEBI] synonym: "Rally" RELATED BRAND_NAME [ChemIDplus] synonym: "RH-3866" RELATED [NIST_Chemistry_WebBook] synonym: "Synthane" RELATED BRAND_NAME [ChemIDplus] synonym: "Systhane" RELATED BRAND_NAME [ChemIDplus] xref: CAS:88671-89-0 {source="ChemIDplus"} xref: CAS:88671-89-0 {source="NIST Chemistry WebBook"} xref: CAS:88671-89-0 {source="KEGG COMPOUND"} xref: KEGG:C18477 xref: Patent:EP145294 xref: Pesticides:myclobutanil {source="Alan Wood's Pesticides"} xref: PMID:15823329 {source="Europe PMC"} xref: PMID:16248555 {source="Europe PMC"} xref: PMID:16971344 {source="Europe PMC"} xref: PMID:17484520 {source="Europe PMC"} xref: PMID:18683908 {source="Europe PMC"} xref: PMID:21967215 {source="Europe PMC"} xref: PMID:22288843 {source="Europe PMC"} xref: PMID:22415649 {source="Europe PMC"} xref: PMID:22526985 {source="Europe PMC"} xref: PMID:23939881 {source="Europe PMC"} xref: PMID:24014248 {source="Europe PMC"} xref: PMID:24249205 {source="Europe PMC"} xref: PMID:24666947 {source="Europe PMC"} xref: PMID:25043148 {source="Europe PMC"} xref: Reaxys:7138849 {source="Reaxys"} xref: Wikipedia:Myclobutanil is_a: CHEBI:60911 ! racemate is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_part CHEBI:83730 ! (R)-myclobutanil relationship: has_part CHEBI:83731 ! (S)-myclobutanil relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CHEBI:75282 name: ergosterol biosynthesis inhibitor namespace: chebi_ontology def: "Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol." [] subset: 3_STAR synonym: "ergosterol biosynthesis inhibitors" RELATED [ChEBI] xref: PMID:12604527 {source="Europe PMC"} xref: PMID:19835945 {source="Europe PMC"} is_a: CHEBI:83317 ! sterol biosynthesis inhibitor [Term] id: CHEBI:75284 name: (R)-2-(4-chloro-2-methylphenoxy)propanoate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of (R)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2R)-2-(4-chloro-2-methylphenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-(4-chloro-2-methylphenoxy)propionate" RELATED [ChEBI] synonym: "(R)-2-(4-chloro-2-methylphenoxy)propanoate" EXACT [UniProt] xref: MetaCyc:CPD-15723 {source="SUBMITTER"} xref: PMID:12501996 {source="SUBMITTER"} xref: PMID:16731970 {source="SUBMITTER"} xref: PMID:16820480 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:75703 ! (R)-mecoprop relationship: is_enantiomer_of CHEBI:75285 ! (S)-2-(4-chloro-2-methylphenoxy)propanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/p-1/t7-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTGYJSOUMFZEP-SSDOTTSWSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.63800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.03240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](Oc1ccc(Cl)cc1C)C([O-])=O" xsd:string [Term] id: CHEBI:75285 name: (S)-2-(4-chloro-2-methylphenoxy)propanoate namespace: chebi_ontology def: "A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group." [] subset: 3_STAR synonym: "(2S)-2-(4-chloro-2-methylphenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-(4-chloro-2-methylphenoxy)propionate" RELATED [ChEBI] synonym: "(S)-2-(4-chloro-2-methylphenoxy)propanoate" EXACT [UniProt] xref: MetaCyc:CPD-15724 {source="SUBMITTER"} xref: PMID:12501996 {source="SUBMITTER"} xref: PMID:16731970 {source="SUBMITTER"} xref: PMID:16820480 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:75712 ! (S)-mecoprop relationship: is_enantiomer_of CHEBI:75284 ! (R)-2-(4-chloro-2-methylphenoxy)propanoate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/p-1/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTGYJSOUMFZEP-ZETCQYMHSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.63800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.03240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O" xsd:string [Term] id: CHEBI:75287 name: (S)-dichlorprop(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3" [] subset: 3_STAR synonym: "(2S)-2-(2,4-dichlorophenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-(2,4-dichlorophenoxy)propionate" RELATED [ChEBI] synonym: "(S)-(2,4-dichlorophenoxy)propanoate" RELATED [UniProt] xref: MetaCyc:CPD-15726 {source="SUBMITTER"} xref: PMID:12501996 {source="SUBMITTER"} xref: PMID:16731970 {source="SUBMITTER"} xref: PMID:16820480 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:75374 ! (S)-dichlorprop relationship: is_enantiomer_of CHEBI:75288 ! (R)-dichlorprop(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/p-1/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZHCENGPTKEIGP-YFKPBYRVSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.05600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.97777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O" xsd:string [Term] id: CHEBI:75288 name: (R)-dichlorprop(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (R)-dichlorprop. The major species at pH 7.3" [] subset: 3_STAR synonym: "(2R)-2-(2,4-dichlorophenoxy)propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(2,4-dichlorophenoxy)propanoate" RELATED [UniProt] synonym: "(R)-(2,4-dichlorophenoxy)propionate" RELATED [ChEBI] xref: MetaCyc:CPD-15728 {source="SUBMITTER"} xref: PMID:12501996 {source="SUBMITTER"} xref: PMID:16731970 {source="SUBMITTER"} xref: PMID:16820480 {source="SUBMITTER"} is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:75373 ! (R)-dichlorprop relationship: is_enantiomer_of CHEBI:75287 ! (S)-dichlorprop(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H7Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/p-1/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZHCENGPTKEIGP-RXMQYKEDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "234.05600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.97777" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O" xsd:string [Term] id: CHEBI:75331 name: benzotriazole namespace: chebi_ontology def: "The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring." [] subset: 3_STAR synonym: "1,2,-aminozophenylene" RELATED [ChemIDplus] synonym: "1,2,3-triaza-1H-indene" RELATED [ChemIDplus] synonym: "1H-benzotriazole" EXACT IUPAC_NAME [IUPAC] synonym: "2,3-diazaindole" RELATED [NIST_Chemistry_WebBook] synonym: "azimidobenzene" RELATED [ChemIDplus] synonym: "aziminobenzene" RELATED [ChemIDplus] synonym: "benzene azimide" RELATED [ChemIDplus] synonym: "benzisotriazole" RELATED [ChemIDplus] synonym: "BTA" RELATED [ChEBI] xref: CAS:95-14-7 {source="ChemIDplus"} xref: CAS:95-14-7 {source="NIST Chemistry WebBook"} xref: PDBeChem:0CT xref: PMID:23652707 {source="Europe PMC"} xref: PMID:23923790 {source="Europe PMC"} xref: Reaxys:112133 {source="Reaxys"} xref: Wikipedia:Benzotriazole is_a: CHEBI:48912 ! benzotriazoles relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QRUDEWIWKLJBPS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.12400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.04835" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2[nH]nnc2c1" xsd:string [Term] id: CHEBI:75370 name: 2-(2,4-dichlorophenoxy)propanoic acid namespace: chebi_ontology def: "An aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether." [] subset: 3_STAR synonym: "2-(2,4-dichlorophenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-(2,4-Dichlorophenoxy)propionic acid" RELATED [KEGG_COMPOUND] synonym: "Dichlorprop" RELATED [KEGG_COMPOUND] xref: CAS:120-36-5 {source="KEGG COMPOUND"} xref: KEGG:C11020 xref: PPDB:218 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZHCENGPTKEIGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.06400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.98505" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(Oc1ccc(Cl)cc1Cl)C(O)=O" xsd:string [Term] id: CHEBI:75373 name: (R)-dichlorprop namespace: chebi_ontology def: "The R- (active) enantiomer of dichlorprop. It is used as a herbicide for killing annual and broad leaf weeds." [] subset: 3_STAR synonym: "(+)-2,4-DP" RELATED [ChemIDplus] synonym: "(+)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "(+)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(+)-dichlorprop" RELATED [ChemIDplus] synonym: "(2R)-(+)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "(2R)-(+)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(2R)-2-(2,4-dichlorophenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChemIDplus] synonym: "(R)-(+)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChemIDplus] synonym: "(R)-(+)-dichlorprop" RELATED [ChEBI] synonym: "(R)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "(R)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(R)-DCPP" RELATED [ChEBI] synonym: "D-dichlorprop" RELATED [ChEBI] synonym: "dichlorprop-P" RELATED [ChEBI] xref: CAS:15165-67-0 {source="ChemIDplus"} xref: Pesticides:dichlorprop-p {source="Alan Wood's Pesticides"} xref: PMID:22961377 {source="Europe PMC"} xref: PMID:23312320 {source="Europe PMC"} xref: PMID:23509020 {source="Europe PMC"} xref: PPDB:219 xref: Reaxys:3203101 {source="Reaxys"} is_a: CHEBI:75370 ! 2-(2,4-dichlorophenoxy)propanoic acid relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor relationship: is_conjugate_acid_of CHEBI:75288 ! (R)-dichlorprop(1-) relationship: is_enantiomer_of CHEBI:75374 ! (S)-dichlorprop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZHCENGPTKEIGP-RXMQYKEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.06400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.98505" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O" xsd:string [Term] id: CHEBI:75374 name: (S)-dichlorprop namespace: chebi_ontology def: "The S- (inactive) enantiomer of dichlorprop." [] subset: 3_STAR synonym: "(-)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "(-)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(-)-dichlorprop" RELATED [ChEBI] synonym: "(2S)-(-)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "(2S)-(-)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(2S)-2-(2,4-dichlorophenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(S)-(-)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(S)-(-)-dichlorprop" RELATED [ChEBI] synonym: "(S)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChemIDplus] synonym: "(S)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "(S)-DCPP" RELATED [ChEBI] xref: CAS:15165-69-2 {source="ChemIDplus"} xref: PMID:23312320 {source="Europe PMC"} xref: PMID:23509020 {source="Europe PMC"} xref: Reaxys:3203102 {source="Reaxys"} is_a: CHEBI:75370 ! 2-(2,4-dichlorophenoxy)propanoic acid relationship: is_conjugate_acid_of CHEBI:75287 ! (S)-dichlorprop(1-) relationship: is_enantiomer_of CHEBI:75373 ! (R)-dichlorprop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZHCENGPTKEIGP-YFKPBYRVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "235.06400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.98505" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O" xsd:string [Term] id: CHEBI:75375 name: dichlorprop namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-dichlorprop. It is widely used as a herbicide for killing annual and broad leaf weeds. Only the R-enantiomer has herbicidal activity; the S-enantiomer is inactive." [] subset: 3_STAR synonym: "(+-)-2,4-dichlorophenoxy-alpha-propanoic acid" RELATED [ChEBI] synonym: "(+-)-2,4-dichlorophenoxy-alpha-propionic acid" RELATED [ChEBI] synonym: "(+-)-2,4-DP" RELATED [ChemIDplus] synonym: "(+-)-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChemIDplus] synonym: "(+-)-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChemIDplus] synonym: "(+-)-DCPP" RELATED [ChEBI] synonym: "2,4-dichlorophenoxy-alpha-propanoic acid" RELATED [ChEBI] synonym: "2,4-dichlorophenoxy-alpha-propionic acid" RELATED [ChemIDplus] synonym: "2,4-DP" RELATED [ChemIDplus] synonym: "2-(2,4-Dp)" RELATED [ChemIDplus] synonym: "acide 2-(2,4-dichloro-phenoxy) propionique" RELATED [ChemIDplus] synonym: "AF 302" RELATED [ChemIDplus] synonym: "alpha-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "alpha-(2,4-dichlorophenoxy)propionic acid" RELATED [ChemIDplus] synonym: "DCPP" RELATED [ChEBI] synonym: "DCPP-dichlorprop" RELATED [ChemIDplus] synonym: "rac-2-(2,4-dichlorophenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "rac-2-(2,4-dichlorophenoxy)propanoic acid" RELATED [ChEBI] synonym: "rac-2-(2,4-dichlorophenoxy)propionic acid" RELATED [ChEBI] synonym: "rac-DCPP" RELATED [ChEBI] xref: CAS:120-36-5 {source="ChemIDplus"} xref: CAS:120-36-5 {source="NIST Chemistry WebBook"} xref: KEGG:C11020 xref: Patent:GB822199 xref: Pesticides:dichlorprop {source="Alan Wood's Pesticides"} xref: PMID:12192911 {source="Europe PMC"} xref: PMID:15091593 {source="Europe PMC"} xref: PMID:21418495 {source="Europe PMC"} xref: PMID:22961377 {source="Europe PMC"} xref: PMID:23312320 {source="Europe PMC"} xref: PMID:23509020 {source="Europe PMC"} xref: PMID:8109722 {source="Europe PMC"} xref: PMID:9297580 {source="Europe PMC"} xref: Reaxys:3203103 {source="Reaxys"} xref: Wikipedia:Dichlorprop is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:75373 ! (R)-dichlorprop relationship: has_part CHEBI:75374 ! (S)-dichlorprop relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:75380 ! EC 1.11.1.6 (catalase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:75380 name: EC 1.11.1.6 (catalase) inhibitor namespace: chebi_ontology def: "An inhibitor of peroxidases (EC 1.11.1.*) that inhibits the action of catalase (EC 1.11.1.6)." [] subset: 3_STAR synonym: "caperase inhibitor" RELATED [ChEBI] synonym: "caperase inhibitors" RELATED [ChEBI] synonym: "CAT inhibitor" RELATED [ChEBI] synonym: "CAT inhibitors" RELATED [ChEBI] synonym: "catalase (EC 1.11.1.6) inhibitor" RELATED [ChEBI] synonym: "catalase (EC 1.11.1.6) inhibitors" RELATED [ChEBI] synonym: "catalase inhibitor" RELATED [ChEBI] synonym: "catalase inhibitors" RELATED [ChEBI] synonym: "catalase-peroxidase inhibitor" RELATED [ChEBI] synonym: "catalase-peroxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.6 (catalase) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.6 inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.6 inhibitors" RELATED [ChEBI] synonym: "equilase inhibitor" RELATED [ChEBI] synonym: "equilase inhibitors" RELATED [ChEBI] synonym: "hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitor" RELATED [ChEBI] synonym: "hydrogen-peroxide:hydrogen-peroxide oxidoreductase inhibitors" RELATED [ChEBI] synonym: "optidase inhibitor" RELATED [ChEBI] synonym: "optidase inhibitors" RELATED [ChEBI] is_a: CHEBI:75381 ! EC 1.11.1.* (peroxidases) inhibitor [Term] id: CHEBI:75381 name: EC 1.11.1.* (peroxidases) inhibitor namespace: chebi_ontology def: "An EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor that interferes with the action of any of the peroxidases (EC 1.11.1.*)." [] subset: 3_STAR synonym: "EC 1.11.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1 inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidase) inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* (peroxidases) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.11.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of peroxidases" RELATED [ChEBI] synonym: "inhibitors of peroxidases" RELATED [ChEBI] synonym: "peroxidases inhibitors" RELATED [ChEBI] xref: Wikipedia:Peroxidases is_a: CHEBI:76738 ! EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor [Term] id: CHEBI:7554 name: nicosulfuron namespace: chebi_ontology def: "A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen." [] subset: 3_STAR synonym: "2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:111991-09-4 {source="KEGG COMPOUND"} xref: CAS:111991-09-4 {source="ChemIDplus"} xref: KEGG:C10949 xref: Pesticides:nicosulfuron {source="Alan Wood's Pesticides"} xref: PMID:25165819 {source="Europe PMC"} xref: PMID:25272750 {source="Europe PMC"} xref: PMID:25338136 {source="Europe PMC"} xref: PPDB:484 xref: Reaxys:7233432 {source="Reaxys"} is_a: CHEBI:26421 ! pyridines is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18N6O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTCOGUMHFFWOJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.40500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.10085" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1" xsd:string [Term] id: CHEBI:75596 name: EC 5.* (isomerase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*)." [] subset: 3_STAR synonym: "EC 5.* (isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.* inhibitor" RELATED [ChEBI] synonym: "EC 5.* inhibitors" RELATED [ChEBI] synonym: "EC 5.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 5.*.*.* inhibitors" RELATED [ChEBI] synonym: "isomerase (EC 5.*) inhibitor" RELATED [ChEBI] synonym: "isomerase (EC 5.*) inhibitors" RELATED [ChEBI] synonym: "isomerase inhibitor" RELATED [ChEBI] synonym: "isomerase inhibitors" RELATED [ChEBI] is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:75600 name: EC 6.3.* (C-N bond-forming ligase) inhibitor namespace: chebi_ontology def: "A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*)." [] subset: 3_STAR synonym: "C--N bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C--N bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "C-N bond-forming ligase (EC 6.3.*) inhibitor" RELATED [ChEBI] synonym: "C-N bond-forming ligase (EC 6.3.*) inhibitors" RELATED [ChEBI] synonym: "C-N bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C-N bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.3.* (C-N bond-forming ligase) inhibitorS" RELATED [ChEBI] synonym: "EC 6.3.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.* inhibitors" RELATED [ChEBI] synonym: "EC 6.3.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.*.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] id: CHEBI:75603 name: EC 6.* (ligase) inhibitor namespace: chebi_ontology def: "Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate." [] subset: 3_STAR synonym: "EC 6.* (ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.* inhibitor" RELATED [ChEBI] synonym: "EC 6.* inhibitors" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.*.*.* inhibitors" RELATED [ChEBI] synonym: "ligase inhibitor" RELATED [ChEBI] synonym: "ligase inhibitors" RELATED [ChEBI] xref: Wikipedia:Ligase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:75604 name: EC 6.4.* (C-C bond-forming ligase) inhibitor namespace: chebi_ontology def: "A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*)." [] subset: 3_STAR synonym: "C--C bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C--C bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "C-C bond-forming ligase (EC 6.4.*) inhibitor" RELATED [ChEBI] synonym: "C-C bond-forming ligase (EC 6.4.*) inhibitorS" RELATED [ChEBI] synonym: "C-C bond-forming ligase inhibitor" RELATED [ChEBI] synonym: "C-C bond-forming ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.4.* (C-C bond-forming ligase) inhibitorS" RELATED [ChEBI] synonym: "EC 6.4.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.* inhibitors" RELATED [ChEBI] synonym: "EC 6.4.*.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.*.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75603 ! EC 6.* (ligase) inhibitor [Term] id: CHEBI:7565 name: nifedipine namespace: chebi_ontology subset: 3_STAR synonym: "4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester" RELATED [ChemIDplus] synonym: "Adalat" RELATED BRAND_NAME [DrugBank] synonym: "Adapine" RELATED BRAND_NAME [DrugBank] synonym: "Coracten" RELATED BRAND_NAME [DrugBank] synonym: "dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "Nifecard" RELATED BRAND_NAME [DrugBank] synonym: "Nifecor" RELATED BRAND_NAME [DrugBank] synonym: "Nifedipine" EXACT [KEGG_COMPOUND] synonym: "nifedipine" RELATED INN [ChemIDplus] synonym: "nifedipino" RELATED INN [ChemIDplus] synonym: "nifedipinum" RELATED INN [ChemIDplus] synonym: "Nifedipres" RELATED BRAND_NAME [DrugBank] synonym: "Procardia" RELATED BRAND_NAME [DrugBank] xref: Beilstein:497773 {source="Beilstein"} xref: CAS:21829-25-4 {source="ChemIDplus"} xref: CAS:21829-25-4 {source="NIST Chemistry WebBook"} xref: CAS:21829-25-4 {source="KEGG COMPOUND"} xref: Drug_Central:1922 {source="DrugCentral"} xref: DrugBank:DB01115 xref: KEGG:C07266 xref: KEGG:D00437 xref: LINCS:LSM-4176 xref: Wikipedia:Nifedipine is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:50075 ! dihydropyridine relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:66993 ! tocolytic agent relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYIMSNHJOBLJNT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "346.33460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "346.11649" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC" xsd:string [Term] id: CHEBI:75701 name: sarin namespace: chebi_ontology alt_id: CHEBI:9030 def: "A racemate composed of equal amounts of (R)- and (S)-sarin. A potent and irreversible inhibitor of acetylcholinesterase that is toxic to the nervous system and is employed as a chemical warfare agent." [] subset: 3_STAR synonym: "(+-)-isopropyl methylphosphonofluoridate" RELATED [ChEBI] synonym: "(+-)-sarin" RELATED [ChEBI] synonym: "(RS)-isopropyl methylphosphonofluoridate" RELATED [ChEBI] synonym: "(RS)-sarin" RELATED [ChEBI] synonym: "Isopropoxymethylphosphoryl fluoride" RELATED [ChemIDplus] synonym: "Isopropyl methanefluorophosphonate" RELATED [ChemIDplus] synonym: "Isopropyl methylfluorophosphate" RELATED [ChemIDplus] synonym: "Methlyfluorophosphonic acid isopropyl ester" RELATED [ChemIDplus] synonym: "Methylphosphonofluoridic acid isopropyl ester" RELATED [ChemIDplus] synonym: "o-Isopropyl methylphosphonofluoridate" RELATED [ChemIDplus] synonym: "rac-isopropyl methylphosphonofluoridate" RELATED [IUPAC] synonym: "rac-propan-2-yl methylphosphonofluoridate" EXACT IUPAC_NAME [IUPAC] synonym: "racemic sarin" RELATED [ChEBI] xref: CAS:107-44-8 {source="KEGG COMPOUND"} xref: CAS:107-44-8 {source="ChemIDplus"} xref: KEGG:C11764 xref: Patent:US4108950 xref: Patent:US4292308 xref: Patent:WO2005051297 xref: PMID:23052190 {source="Europe PMC"} xref: PMID:23054072 {source="Europe PMC"} xref: PMID:23159884 {source="Europe PMC"} xref: PMID:23200942 {source="Europe PMC"} xref: PMID:23205740 {source="Europe PMC"} xref: PMID:23263315 {source="Europe PMC"} xref: PMID:23692952 {source="Europe PMC"} xref: PMID:23963476 {source="Europe PMC"} xref: PMID:23999806 {source="Europe PMC"} xref: Reaxys:1750114 {source="Reaxys"} xref: Wikipedia:Sarin is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:75871 ! (S)-sarin relationship: has_part CHEBI:75872 ! (R)-sarin relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:50910 ! neurotoxin [Term] id: CHEBI:75703 name: (R)-mecoprop namespace: chebi_ontology def: "The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop." [] subset: 3_STAR synonym: "(+)-Mcpp" RELATED [ChemIDplus] synonym: "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-(4-chloro-2-methylphenoxy)propionic acid" RELATED [ChEBI] synonym: "(R)-2-(4-chloro-2-methylphenoxy)propanoic acid" RELATED [ChEBI] synonym: "(R)-2-(4-chloro-o-tolyloxy)propionic acid" RELATED [KEGG_COMPOUND] synonym: "(R)-MCPP" RELATED [ChEBI] synonym: "2M-4XP" RELATED [ChemIDplus] synonym: "d-Mecoprop" RELATED [ChemIDplus] synonym: "Mecoprop-P" RELATED [KEGG_COMPOUND] xref: AGR:IND44300259 {source="Europe PMC"} xref: CAS:16484-77-8 {source="KEGG COMPOUND"} xref: CAS:16484-77-8 {source="ChemIDplus"} xref: KEGG:C18608 xref: Patent:CA2703613 xref: Patent:WO2009053063 xref: Patent:WO2010017929 xref: Pesticides:mecoprop-p {source="Alan Wood's Pesticides"} xref: PMID:22959720 {source="Europe PMC"} xref: PMID:23361178 {source="Europe PMC"} xref: PPDB:431 xref: Reaxys:1960621 {source="Reaxys"} xref: Wikipedia:Mecoprop is_a: CHEBI:75704 ! 2-(4-chloro-2-methylphenoxy)propanoic acid relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: is_conjugate_acid_of CHEBI:75284 ! (R)-2-(4-chloro-2-methylphenoxy)propanoate relationship: is_enantiomer_of CHEBI:75712 ! (S)-mecoprop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTGYJSOUMFZEP-SSDOTTSWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.64600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.03967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](Oc1ccc(Cl)cc1C)C(O)=O" xsd:string [Term] id: CHEBI:75704 name: 2-(4-chloro-2-methylphenoxy)propanoic acid namespace: chebi_ontology def: "A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group." [] subset: 3_STAR synonym: "2-(4-chloro-2-methylphenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-(4-chloro-2-methylphenoxy)propionic acid" RELATED [ChEBI] synonym: "2-(4-Chloro-2-tolyloxy)propionic acid" RELATED [ChemIDplus] synonym: "2-(p-Chloro-o-tolyloxy)propionic acid" RELATED [ChemIDplus] synonym: "4-Chloro-2-methylphenoxy-alpha-propionic acid" RELATED [ChemIDplus] synonym: "Mecoprop" RELATED [KEGG_COMPOUND] synonym: "O-(4-chloro-2-methylphenyl)lactic acid" RELATED [ChEBI] xref: CAS:93-65-2 {source="KEGG COMPOUND"} xref: CAS:93-65-2 {source="ChemIDplus"} xref: KEGG:C18742 xref: Reaxys:2212752 {source="Reaxys"} xref: Wikipedia:Mecoprop is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_functional_parent CHEBI:28358 ! rac-lactic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTGYJSOUMFZEP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.64600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.03967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(Oc1ccc(Cl)cc1C)C(O)=O" xsd:string [Term] id: CHEBI:75711 name: mecoprop namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-mecoprop." [] subset: 3_STAR synonym: "(+-)-mecoprop" RELATED [ChEBI] synonym: "(RS)-mecoprop" RELATED [ChEBI] synonym: "2-(4-Chloro-2-tolyloxy)propionic acid" RELATED [ChemIDplus] synonym: "2-(p-Chloro-o-tolyloxy)propionic acid" RELATED [ChemIDplus] synonym: "4-Chloro-2-methylphenoxy-alpha-propionic acid" RELATED [ChemIDplus] synonym: "O-(4-chloro-2-methylphenyl)lactic acid" RELATED [ChEBI] synonym: "rac-2-(4-chloro-2-methylphenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "racemic mecoprop" RELATED [ChEBI] xref: CAS:93-65-2 {source="NIST Chemistry WebBook"} xref: CAS:93-65-2 {source="ChemIDplus"} xref: KEGG:C18742 xref: Pesticides:mecoprop {source="Alan Wood's Pesticides"} xref: PMID:19962221 {source="Europe PMC"} xref: PMID:21972828 {source="Europe PMC"} xref: PMID:23312320 {source="Europe PMC"} xref: PMID:23361178 {source="Europe PMC"} xref: PMID:23422308 {source="Europe PMC"} xref: PPDB:430 xref: Reaxys:2212752 {source="Reaxys"} xref: Wikipedia:Mecoprop is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:75703 ! (R)-mecoprop relationship: has_part CHEBI:75712 ! (S)-mecoprop relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.646" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.03967" xsd:string [Term] id: CHEBI:75712 name: (S)-mecoprop namespace: chebi_ontology def: "The (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop." [] subset: 3_STAR synonym: "(S)-MCPP" RELATED [ChEBI] xref: Reaxys:3201761 {source="Reaxys"} is_a: CHEBI:75704 ! 2-(4-chloro-2-methylphenoxy)propanoic acid relationship: is_conjugate_acid_of CHEBI:75285 ! (S)-2-(4-chloro-2-methylphenoxy)propanoate relationship: is_enantiomer_of CHEBI:75703 ! (R)-mecoprop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTGYJSOUMFZEP-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "214.64600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.03967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](Oc1ccc(Cl)cc1C)C(O)=O" xsd:string [Term] id: CHEBI:75722 name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol namespace: chebi_ontology def: "A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively." [] subset: 3_STAR synonym: "2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol" EXACT IUPAC_NAME [IUPAC] xref: CAS:2914-77-4 {source="ChemIDplus"} is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:18099 ! cyclohexanol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H25NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVYLLZQTGLZFBW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.37520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.18853" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(c1)C1(O)CCCCC1CN(C)C" xsd:string [Term] id: CHEBI:75725 name: (R,R)-tramadol namespace: chebi_ontology def: "A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer." [] subset: 3_STAR synonym: "(+)-tramadol" RELATED [ChEBI] synonym: "(+)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol" RELATED [ChemIDplus] synonym: "(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol" EXACT IUPAC_NAME [IUPAC] xref: CAS:123154-38-1 {source="ChemIDplus"} xref: CAS:27203-92-5 {source="KEGG COMPOUND"} xref: KEGG:C07153 xref: KEGG:D08623 xref: LINCS:LSM-5221 xref: Reaxys:9590387 {source="Reaxys"} xref: VSDB:3008 xref: Wikipedia:Tramadol is_a: CHEBI:75722 ! 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist relationship: has_role CHEBI:48878 ! nicotinic antagonist relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:59282 ! kappa-opioid receptor agonist relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:64054 ! delta-opioid receptor agonist relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist relationship: is_conjugate_base_of CHEBI:75737 ! (R,R)-tramadol(1+) relationship: is_enantiomer_of CHEBI:75731 ! (S,S)-tramadol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H25NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVYLLZQTGLZFBW-ZBFHGGJFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.37520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.18853" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C" xsd:string [Term] id: CHEBI:75731 name: (S,S)-tramadol namespace: chebi_ontology def: "A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have S-configuration; the (S,S)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer." [] subset: 3_STAR synonym: "(-)-tramadol" RELATED [ChEBI] synonym: "(-)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol" RELATED [ChemIDplus] synonym: "(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol" EXACT IUPAC_NAME [IUPAC] xref: CAS:123134-25-8 {source="ChemIDplus"} xref: LINCS:LSM-3125 xref: Reaxys:6635050 {source="Reaxys"} xref: Wikipedia:Tramadol is_a: CHEBI:75722 ! 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist relationship: has_role CHEBI:48878 ! nicotinic antagonist relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:59282 ! kappa-opioid receptor agonist relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:64054 ! delta-opioid receptor agonist relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist relationship: is_conjugate_base_of CHEBI:75738 ! (S,S)-tramadol(1+) relationship: is_enantiomer_of CHEBI:75725 ! (R,R)-tramadol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H25NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVYLLZQTGLZFBW-GOEBONIOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.37520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.18853" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)C" xsd:string [Term] id: CHEBI:75736 name: tramadol(1+) namespace: chebi_ontology def: "A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol(1+)." [] subset: 3_STAR synonym: "(+-)-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium" RELATED [ChEBI] synonym: "(+-)-tramadol(1+)" RELATED [ChEBI] synonym: "rac-[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:75737 ! (R,R)-tramadol(1+) relationship: has_part CHEBI:75738 ! (S,S)-tramadol(1+) relationship: is_conjugate_acid_of CHEBI:9648 ! tramadol [Term] id: CHEBI:75737 name: (R,R)-tramadol(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol." [] subset: 3_STAR synonym: "(+)-tramadol(1+)" RELATED [ChEBI] synonym: "[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:75725 ! (R,R)-tramadol relationship: is_enantiomer_of CHEBI:75738 ! (S,S)-tramadol(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H26NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVYLLZQTGLZFBW-ZBFHGGJFSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.38310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.19581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1C[NH+](C)C" xsd:string [Term] id: CHEBI:75738 name: (S,S)-tramadol(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of the tertiary amino group of (S,S)-tramadol." [] subset: 3_STAR synonym: "(-)-tramadol(1+)" RELATED [ChEBI] synonym: "[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:75731 ! (S,S)-tramadol relationship: is_enantiomer_of CHEBI:75737 ! (R,R)-tramadol(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H26NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/p+1/t14-,16+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVYLLZQTGLZFBW-GOEBONIOSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.38310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.19581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cccc(c1)[C@]1(O)CCCC[C@H]1C[NH+](C)C" xsd:string [Term] id: CHEBI:75763 name: eukaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms." [] subset: 3_STAR synonym: "eukaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75767 name: animal metabolite namespace: chebi_ontology alt_id: CHEBI:77721 alt_id: CHEBI:77743 def: "Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals." [] subset: 3_STAR synonym: "animal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:75768 name: mammalian metabolite namespace: chebi_ontology alt_id: CHEBI:77464 alt_id: CHEBI:77744 def: "Any animal metabolite produced during a metabolic reaction in mammals." [] subset: 3_STAR synonym: "mammalian metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:75769 name: B vitamin namespace: chebi_ontology def: "Any member of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such)." [] subset: 3_STAR synonym: "B vitamins" RELATED [ChEBI] synonym: "B-group vitamin" RELATED [ChEBI] synonym: "B-group vitamins" RELATED [ChEBI] synonym: "vitamin B" RELATED [ChEBI] xref: MetaCyc:B-vitamins xref: PMID:22743781 {source="Europe PMC"} xref: PMID:23093174 {source="Europe PMC"} xref: PMID:23238962 {source="Europe PMC"} xref: PMID:23449527 {source="Europe PMC"} xref: PMID:23462586 {source="Europe PMC"} xref: PMID:23690582 {source="Europe PMC"} xref: Wikipedia:B_vitamin is_a: CDNO:0000014 ! vitamin (molecular entity) is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: has_role CHEBI:27314 ! water-soluble vitamin (role) relationship: has_role CHEBI:50733 ! nutraceutical property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:75771 name: mouse metabolite namespace: chebi_ontology def: "Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus)." [] subset: 3_STAR synonym: "mouse metabolites" RELATED [ChEBI] synonym: "Mus musculus metabolite" RELATED [ChEBI] synonym: "Mus musculus metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:75772 name: Saccharomyces cerevisiae metabolite namespace: chebi_ontology alt_id: CHEBI:76949 alt_id: CHEBI:76951 def: "Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae)." [] subset: 3_STAR synonym: "baker's yeast metabolite" RELATED [ChEBI] synonym: "baker's yeast metabolites" RELATED [ChEBI] synonym: "baker's yeast secondary metabolite" RELATED [ChEBI] synonym: "baker's yeast secondary metabolites" RELATED [ChEBI] synonym: "S. cerevisiae metabolite" RELATED [ChEBI] synonym: "S. cerevisiae metabolites" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolite" RELATED [ChEBI] synonym: "S. cerevisiae secondary metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae metabolites" RELATED [ChEBI] synonym: "Saccharomyces cerevisiae secondary metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:75782 name: vitamin B complex namespace: chebi_ontology def: "A mixture containing all eight of the B vitamins (B1, B2, B3, B5, B6, B7, B9, and B12). It is used as a dietary supplement and as a component of growth media for microorganisms." [] subset: 3_STAR synonym: "vitamin B mixture" RELATED [ChEBI] xref: Wikipedia:B_vitamin is_a: CHEBI:60004 ! mixture is_a: CHEBI:75769 ! B vitamin relationship: has_part CHEBI:15940 ! nicotinic acid relationship: has_part CHEBI:15956 ! biotin relationship: has_part CHEBI:17015 ! riboflavin relationship: has_part CHEBI:26948 ! vitamin B1 relationship: has_part CHEBI:27306 ! vitamin B6 relationship: has_part CHEBI:27470 ! folic acid relationship: has_part CHEBI:30411 ! cobalamin relationship: has_part CHEBI:46905 ! (R)-pantothenic acid [Term] id: CHEBI:75787 name: prokaryotic metabolite namespace: chebi_ontology def: "Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea." [] subset: 3_STAR synonym: "prokaryotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:75832 name: iron(2+) sulfate (anhydrous) namespace: chebi_ontology def: "A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC." [] subset: 3_STAR synonym: "Fe(II)SO4" RELATED [] synonym: "ferrous sulfate" EXACT [] synonym: "ferrous sulfate" RELATED [] synonym: "ferrous sulfate (anh.)" RELATED [] synonym: "ferrous sulfate (anhydrous)" RELATED [] synonym: "ferrous sulfate anhydrous" RELATED [] synonym: "FeSO4" RELATED [] synonym: "iron sulfate (1:1)" RELATED [] synonym: "iron(2+) sulfate" EXACT [] synonym: "iron(2+) sulfate (anh.)" RELATED [] synonym: "iron(II) sulfate" RELATED [] synonym: "iron(II) sulfate (1:1)" RELATED [] xref: CAS:7720-78-7 xref: MetaCyc:CPD0-2386 xref: PPDB:1399 xref: Reaxys:4933679 xref: Wikipedia:Iron(II)_sulfate is_a: CHEBI:190420 ! inorganic iron salt is_a: CHEBI:24840 ! inorganic sulfate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FeO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAUYGSIQEAFULO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "151.90800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.88667" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe++].[O-]S([O-])(=O)=O" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl [Term] id: CHEBI:7587 name: nitroalkane namespace: chebi_ontology def: "A nitrohydrocarbon that is an alkane in which one of the hydrogens has been replaced by a nitro group." [] subset: 3_STAR synonym: "Nitroalkan" RELATED [ChEBI] synonym: "Nitroalkane" EXACT [KEGG_COMPOUND] synonym: "nitroalkanes" EXACT IUPAC_NAME [IUPAC] synonym: "Nitroparaffin" RELATED [ChEBI] xref: KEGG:C06058 xref: MetaCyc:Nitroalkanes is_a: CHEBI:51129 ! nitrohydrocarbon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "46.006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.99290" xsd:string [Term] id: CHEBI:75871 name: (S)-sarin namespace: chebi_ontology def: "The (S)-enantiomer of sarin; the more potent enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent." [] subset: 3_STAR synonym: "(-)-sarin" RELATED [ChEBI] synonym: "(S)-(-)-sarin" RELATED [ChEBI] synonym: "isopropyl (S)-methylphosphonofluoridate" EXACT IUPAC_NAME [IUPAC] synonym: "sarin" RELATED [ChEBI] xref: CAS:6171-94-4 {source="ChemIDplus"} xref: Reaxys:2409983 {source="Reaxys"} xref: Wikipedia:Sarin is_a: CHEBI:75873 ! isopropyl methylphosphonofluoridate relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:50910 ! neurotoxin relationship: is_enantiomer_of CHEBI:75872 ! (R)-sarin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10FO2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3/t8-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DYAHQFWOVKZOOW-QMMMGPOBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.04024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)O[P@@](C)(F)=O" xsd:string [Term] id: CHEBI:75872 name: (R)-sarin namespace: chebi_ontology def: "The (S)-enantiomer of sarin; the less active enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent." [] subset: 3_STAR synonym: "(+)-sarin" RELATED [ChEBI] synonym: "(R)-(+)-sarin" RELATED [ChEBI] synonym: "isopropyl (R)-methylphosphonofluoridate" EXACT IUPAC_NAME [IUPAC] xref: CAS:6171-93-3 {source="ChemIDplus"} xref: Reaxys:6711462 {source="Reaxys"} xref: Wikipedia:Sarin is_a: CHEBI:75873 ! isopropyl methylphosphonofluoridate relationship: has_role CHEBI:38462 ! EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: has_role CHEBI:50910 ! neurotoxin relationship: is_enantiomer_of CHEBI:75871 ! (S)-sarin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10FO2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3/t8-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DYAHQFWOVKZOOW-MRVPVSSYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.04024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)O[P@](C)(F)=O" xsd:string [Term] id: CHEBI:75873 name: isopropyl methylphosphonofluoridate namespace: chebi_ontology def: "A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid." [] subset: 3_STAR synonym: "propan-2-yl methylphosphonofluoridate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24062 ! fluorine molecular entity is_a: CHEBI:26043 ! phosphinic ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10FO2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DYAHQFWOVKZOOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.04024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OP(C)(F)=O" xsd:string [Term] id: CHEBI:75874 name: para-terphenyl namespace: chebi_ontology def: "A ring assembly based on a 1,4-diphenylbenzene skeleton and its substituted derivatives thereof." [] subset: 3_STAR synonym: "p-terphenyl" RELATED [ChEBI] synonym: "p-terphenyls" RELATED [ChEBI] synonym: "para-terphenyls" RELATED [ChEBI] xref: Wikipedia:Terphenyl is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:36820 ! ring assembly [Term] id: CHEBI:75884 name: N-acylindole namespace: chebi_ontology def: "A carboxamide resulting from the formal condensation of a carboxylic acid with the nitrogen of an indole." [] subset: 3_STAR synonym: "1-acylindole" RELATED [ChEBI] synonym: "1-acylindoles" RELATED [ChEBI] synonym: "1-carboacylindole" RELATED [ChEBI] synonym: "1-carboacylindoles" RELATED [ChEBI] synonym: "N-acylindoles" RELATED [ChEBI] synonym: "N-carboacylindole" RELATED [ChEBI] synonym: "N-carboacylindoles" RELATED [ChEBI] is_a: CHEBI:24828 ! indoles is_a: CHEBI:37622 ! carboxamide [Term] id: CHEBI:75885 name: 2-pyranones namespace: chebi_ontology def: "A pyranone based on the structure of 2H-pyran-2-one and its substituted derivatives." [] subset: 3_STAR synonym: "2-oxo-2H-pyrans" RELATED [ChEBI] synonym: "2-pyrones" RELATED [ChEBI] synonym: "2H-pyran-2-ones" RELATED [ChEBI] synonym: "alpha-pyrones" RELATED [ChEBI] synonym: "pyran-2-ones" RELATED [ChEBI] is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:37963 ! pyranone [Term] id: CHEBI:7590 name: nitrofen namespace: chebi_ontology subset: 2_STAR synonym: "Nitrofen" EXACT [KEGG_COMPOUND] xref: CAS:1836-75-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0041951 xref: KEGG:C11065 xref: PPDB:1422 is_a: CHEBI:50860 ! organic molecular entity relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:73192 ! EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H7Cl2NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XITQUSLLOSKDTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.095" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.98030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C(=CC(Cl)=CC1)Cl)OC=2C=CC(=CC2)[N+]([O-])=O" xsd:string [Term] id: CHEBI:75955 name: copper(II) oxide namespace: chebi_ontology def: "A metal oxide that has the formula CuO. It has an ionic structure." [] subset: 3_STAR synonym: "copper oxide" RELATED [ChEBI] synonym: "Cu(II) oxide" RELATED [ChEBI] synonym: "cupric oxide" RELATED [ChEBI] xref: CAS:1344-70-3 {source="ChemIDplus"} xref: Reaxys:8128137 {source="Reaxys"} xref: Wikipedia:Copper(II)_oxide is_a: CHEBI:134069 ! copper oxide relationship: has_part CHEBI:29036 ! copper(2+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CuO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu.O/q+2;-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KKCXRELNMOYFLS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.54500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.92451" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O--].[Cu++]" xsd:string [Term] id: CHEBI:7596 name: nitroprusside namespace: chebi_ontology subset: 3_STAR synonym: "[Fe(CN)5(NO)](2-)" RELATED [IUPAC] synonym: "Nitroferricyanide" RELATED [ChemIDplus] synonym: "Nitroprusside" EXACT [KEGG_COMPOUND] synonym: "pentacyanidonitrosylferrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "pentacyanidonitrosylferrate(III)" EXACT IUPAC_NAME [IUPAC] xref: CAS:15078-28-1 {source="KEGG COMPOUND"} xref: CAS:15078-28-1 {source="ChemIDplus"} xref: DrugBank:DB00325 xref: KEGG:C07269 xref: MolBase:329 is_a: CHEBI:33892 ! iron coordination entity property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5FeN6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ASPOIVQEUUCDQT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.93834" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.94939" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N" xsd:string [Term] id: CHEBI:76042 name: aromatic amino-acid zwitterion namespace: chebi_ontology def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid." [] subset: 3_STAR synonym: "an aromatic amino-acid" RELATED [UniProt] synonym: "aromatic amino-acid zwitterions" RELATED [ChEBI] xref: MetaCyc:Aromatic-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33856 ! aromatic amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:76206 name: xenobiotic metabolite namespace: chebi_ontology def: "Any metabolite produced by metabolism of a xenobiotic compound." [] subset: 3_STAR synonym: "xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:76212 name: triphenylmethane namespace: chebi_ontology def: "A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes." [] subset: 3_STAR synonym: "1,1',1''-methanetriyltribenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1',1''-methylidynetrisbenzene" RELATED [ChEBI] synonym: "1,1,1-triphenylmethane" RELATED [ChEBI] synonym: "Tritane" RELATED [ChemIDplus] xref: CAS:519-73-3 {source="ChemIDplus"} xref: PMID:22573270 {source="Europe PMC"} xref: PMID:23008002 {source="Europe PMC"} xref: PMID:23053116 {source="Europe PMC"} xref: PMID:23341885 {source="Europe PMC"} xref: PMID:23865508 {source="Europe PMC"} xref: PMID:24136473 {source="Europe PMC"} xref: Reaxys:1909753 {source="Reaxys"} xref: Wikipedia:Triphenylmethane is_a: CHEBI:76214 ! triarylmethane relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AAAQKTZKLRYKHR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.33030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.12520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc(cc1)C(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:76214 name: triarylmethane namespace: chebi_ontology def: "Any benzenoid aromatic compound containing three aryl groups connected by a single C atom." [] subset: 3_STAR synonym: "triarylmethanes" RELATED [ChEBI] xref: PMID:21229534 {source="Europe PMC"} xref: PMID:21243678 {source="Europe PMC"} xref: PMID:21530486 {source="Europe PMC"} xref: PMID:21808740 {source="Europe PMC"} xref: PMID:22685432 {source="Europe PMC"} xref: PMID:22740234 {source="Europe PMC"} xref: PMID:22816972 {source="Europe PMC"} xref: PMID:23425080 {source="Europe PMC"} xref: PMID:23494746 {source="Europe PMC"} xref: PMID:23534368 {source="Europe PMC"} xref: PMID:23604969 {source="Europe PMC"} xref: PMID:23610042 {source="Europe PMC"} is_a: CHEBI:33836 ! benzenoid aromatic compound [Term] id: CHEBI:76224 name: aromatic ketone namespace: chebi_ontology def: "A ketone in which the carbonyl group is attached to an aromatic ring." [] subset: 3_STAR synonym: "aromatic ketones" RELATED [ChEBI] synonym: "aryl ketone" RELATED [ChEBI] synonym: "aryl ketones" RELATED [ChEBI] is_a: CHEBI:17087 ! ketone [Term] id: CHEBI:76261 name: 1-nitropropane namespace: chebi_ontology def: "A nitroalkane that is propane substituted at C-1 by a nitro group." [] subset: 3_STAR synonym: "1-nitropropane" EXACT IUPAC_NAME [IUPAC] synonym: "3-nitropropane" RELATED [ChEBI] synonym: "nitropropane" RELATED [ChEBI] xref: PMID:1376230 {source="Europe PMC"} xref: PMID:1719412 {source="Europe PMC"} xref: PMID:22168236 {source="Europe PMC"} xref: PMID:22360187 {source="Europe PMC"} xref: PMID:2398819 {source="Europe PMC"} xref: PMID:2591022 {source="Europe PMC"} xref: PMID:2610944 {source="Europe PMC"} xref: PMID:7106031 {source="Europe PMC"} xref: Reaxys:506236 {source="Reaxys"} is_a: CHEBI:133972 ! primary nitroalkane relationship: has_parent_hydride CHEBI:32879 ! propane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JSZOAYXJRCEYSX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC[N+]([O-])=O" xsd:string [Term] id: CHEBI:76287 name: pentachloroethane namespace: chebi_ontology def: "A member of the class of chloroethanes that is ethane in which five of the six hydrogens are replaced by chlorines. A non-flammable, high-boiling liquid (b.p. 161-162degreeC) with relative density 1.67 and an odour resembling that of chloroform, it is used as a solvent for oil and grease, in metal cleaning, and in the separation of coal from impurities." [] subset: 3_STAR synonym: "1,1,1,2,2-pentachloro-ethane" RELATED [KEGG_COMPOUND] synonym: "1,1,1,2,2-pentachloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "CCl3CHCl2" RELATED [ChEBI] synonym: "CHCl2CCl3" RELATED [NIST_Chemistry_WebBook] synonym: "Cl3CCHCl2" RELATED [ChEBI] synonym: "EINECS 200-925-1" RELATED [ChemIDplus] synonym: "ethane pentachloride" RELATED [NIST_Chemistry_WebBook] synonym: "pentalin" RELATED [ChemIDplus] xref: CAS:76-01-7 {source="ChemIDplus"} xref: CAS:76-01-7 {source="NIST Chemistry WebBook"} xref: CAS:76-01-7 {source="KEGG COMPOUND"} xref: KEGG:C19496 xref: MetaCyc:PENTACHLOROETHANE xref: PMID:10476437 {source="Europe PMC"} xref: PMID:12778204 {source="Europe PMC"} xref: PMID:2576814 {source="Europe PMC"} xref: PMID:2916082 {source="Europe PMC"} xref: PMID:3473034 {source="Europe PMC"} xref: PMID:5171121 {source="Europe PMC"} xref: PMID:8637849 {source="Europe PMC"} xref: Reaxys:1736845 {source="Reaxys"} is_a: CHEBI:36016 ! chloroethanes relationship: has_role CHEBI:48355 ! non-polar solvent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HCl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BNIXVQGCZULYKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "202.29400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.85209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:76307 name: omega-hydroxy fatty acid anion namespace: chebi_ontology def: "A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy fatty acid; major species at pH 7.3." [] subset: 3_STAR synonym: "an omega-hydroxy fatty acid" RELATED [UniProt] is_a: CHEBI:59835 ! hydroxy fatty acid anion relationship: is_conjugate_base_of CHEBI:10615 ! omega-hydroxy fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.00822" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC*C([O-])=O" xsd:string [Term] id: CHEBI:76324 name: N-nitrosopiperidine namespace: chebi_ontology def: "A nitrosamine that is piperidine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. One of the many carcinogens detected in cigarette smoke, it is found in meat, cheese and spices that have been treated with the preservative sodium nitrite." [] subset: 3_STAR synonym: "1-nitrosopiperidine" EXACT IUPAC_NAME [IUPAC] synonym: "N-nitrosohexahydropyridine" RELATED [NIST_Chemistry_WebBook] synonym: "NO-Pip" RELATED [ChemIDplus] xref: CAS:100-75-4 {source="KEGG COMPOUND"} xref: CAS:100-75-4 {source="NIST Chemistry WebBook"} xref: CAS:100-75-4 {source="ChemIDplus"} xref: KEGG:C19284 xref: PMID:11272112 {source="Europe PMC"} xref: PMID:132034 {source="Europe PMC"} xref: PMID:148095 {source="Europe PMC"} xref: PMID:15328585 {source="Europe PMC"} xref: PMID:19301245 {source="Europe PMC"} xref: PMID:19748591 {source="Europe PMC"} xref: PMID:20651851 {source="Europe PMC"} xref: PMID:21105252 {source="Europe PMC"} xref: PMID:21860515 {source="Europe PMC"} xref: PMID:355103 {source="Europe PMC"} xref: PMID:7342373 {source="Europe PMC"} xref: Reaxys:110253 {source="Reaxys"} is_a: CHEBI:18049 ! piperidine is_a: CHEBI:35803 ! nitrosamine relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UWSDONTXWQOZFN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.14570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.07931" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=NN1CCCCC1" xsd:string [Term] id: CHEBI:76326 name: N-nitrosomorpholine namespace: chebi_ontology def: "A nitrosamine that is morpholine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. A carcinogen and mutagen, it is found in snuff tobacco." [] subset: 3_STAR synonym: "4-nitrosomorpholine" EXACT IUPAC_NAME [IUPAC] synonym: "N-nitrosomorpholin" RELATED [ChemIDplus] synonym: "nitrosomorpholine" RELATED [NIST_Chemistry_WebBook] xref: CAS:59-89-2 {source="NIST Chemistry WebBook"} xref: CAS:59-89-2 {source="ChemIDplus"} xref: CAS:59-89-2 {source="KEGG COMPOUND"} xref: KEGG:C19283 xref: PMID:15328583 {source="Europe PMC"} xref: PMID:20781 {source="Europe PMC"} xref: PMID:21089935 {source="Europe PMC"} xref: PMID:21396674 {source="Europe PMC"} xref: PMID:21860513 {source="Europe PMC"} xref: PMID:23587048 {source="Europe PMC"} xref: PMID:355101 {source="Europe PMC"} xref: PMID:6889471 {source="Europe PMC"} xref: PMID:7307006 {source="Europe PMC"} xref: Reaxys:112139 {source="Reaxys"} is_a: CHEBI:35803 ! nitrosamine relationship: has_role CHEBI:25435 ! mutagen relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKXDGKXYMTYWTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.11850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.05858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=NN1CCOCC1" xsd:string [Term] id: CHEBI:76329 name: 3-methyl-4'-dimethylaminoazobenzene namespace: chebi_ontology def: "A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen." [] subset: 3_STAR synonym: "3',N,N-trimethyl-4-aminoazobenzene" RELATED [ChemIDplus] synonym: "3'-Mdab" RELATED [ChemIDplus] synonym: "3'-Me-Dab" RELATED [ChemIDplus] synonym: "3'-methyl-4-(dimethylamine)azobenzene" RELATED [ChemIDplus] synonym: "3'-methyl-4-(dimethylamino)azobenzene" RELATED [ChEBI] synonym: "3'-methyl-4-(N,N-dimethylamino)azobenzene" RELATED [ChemIDplus] synonym: "3'-methyl-4-dimethylaminoazobenzene" RELATED [ChemIDplus] synonym: "3'-methyl-dab" RELATED [ChemIDplus] synonym: "3'-methyl-N,N-dimethyl-4-aminoazobenzene" RELATED [ChemIDplus] synonym: "3'-Methylbuttergelb" RELATED [ChemIDplus] synonym: "3'-Methyldimethylaminoazobenzol" RELATED [ChemIDplus] synonym: "4-(N,N-dimethylamino)-3'-methylazobenzene" RELATED [ChemIDplus] synonym: "4-dimethylamino-3'-methylazobenzene" RELATED [ChemIDplus] synonym: "m'-methyl-p-dimethylaminoazobenzene" RELATED [ChemIDplus] synonym: "MDAB" RELATED [ChemIDplus] synonym: "N,N-dimethyl-4-[(3-methylphenyl)azo]benzenamine" RELATED [ChemIDplus] synonym: "N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline" RELATED [ChEBI] synonym: "N,N-dimethyl-4-[(E)-(3-methylphenyl)diazenyl]aniline" EXACT IUPAC_NAME [IUPAC] synonym: "N,N-dimethyl-p-(m-tolylazo)aniline" RELATED [ChemIDplus] xref: CAS:55-80-1 {source="NIST Chemistry WebBook"} xref: CAS:55-80-1 {source="ChemIDplus"} xref: PMID:105111 {source="Europe PMC"} xref: PMID:13844328 {source="Europe PMC"} xref: PMID:192081 {source="Europe PMC"} xref: PMID:209888 {source="Europe PMC"} xref: PMID:48420 {source="Europe PMC"} xref: PMID:828524 {source="Europe PMC"} is_a: CHEBI:22682 ! azobenzenes is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3/b17-16+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LVTFSVIRYMXRSR-WUKNDPDISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.31560" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.14225" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1ccc(cc1)\\N=N\\c1cccc(C)c1" xsd:string [Term] id: CHEBI:76413 name: greenhouse gas namespace: chebi_ontology def: "A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'." [] subset: 3_STAR subset: envoPolar synonym: "greenhouse gases" RELATED [ChEBI] xref: Wikipedia:Greenhouse_gas is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:76414 name: propellant namespace: chebi_ontology def: "A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans." [] subset: 3_STAR synonym: "propellants" RELATED [ChEBI] xref: PMID:22519407 {source="Europe PMC"} xref: PMID:24001847 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] id: CHEBI:76507 name: marine metabolite namespace: chebi_ontology alt_id: CHEBI:77078 def: "Any metabolite produced during a metabolic reaction in marine macro- and microorganisms." [] subset: 3_STAR synonym: "marine metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:76530 name: sn-glycero-3-monophosphate(2-) namespace: chebi_ontology def: "An anionic phospholipid having a phosphate group at sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups attached at the sn-1 and sn-2 positions through ester, ether or vinyl linkages respectively." [] subset: 3_STAR synonym: "Glycerophosphate" RELATED [UniProt] synonym: "glycerophosphate(2-)" RELATED [ChEBI] synonym: "sn-glycero-3-phosphate(2-)" RELATED [ChEBI] is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.98237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OC[C@@H](CO[*])O[*]" xsd:string [Term] id: CHEBI:76551 name: N-nitrosoureas namespace: chebi_ontology def: "A nitroso compound that is any urea in which one of the nitrogens is substituted by a nitroso group" [] subset: 3_STAR is_a: CHEBI:35800 ! nitroso compound is_a: CHEBI:47857 ! ureas [Term] id: CHEBI:76567 name: polyunsaturated fatty acid anion namespace: chebi_ontology def: "Any unsaturated fatty acid anion containing more than one C-C unsaturated bond. Major species at pH 7.3." [] subset: 3_STAR synonym: "polyunsaturated fatty acid anions" RELATED [ChEBI] synonym: "PUFA" RELATED [SUBMITTER] is_a: CHEBI:2580 ! unsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:26208 ! polyunsaturated fatty acid [Term] id: CHEBI:76579 name: triradylglycerol namespace: chebi_ontology def: "A glycerol compound having one of three possible substituent groups - either acyl, alkyl, or alk-1-enyl - at each of the three possible positions sn-1, sn-2 or sn-3. has functional parent glycerol (CHEBI:17754), children: triglyceride (CHEBI:17855). Parent: is_a glycerolipid (CHEBI:35741)" [] subset: 2_STAR synonym: "triradylglycerols" RELATED [ChEBI] xref: LIPID_MAPS_class:LMGL0301 {source="SUBMITTER"} is_a: CHEBI:35741 ! glycerolipid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:76595 name: nephroprotective agent namespace: chebi_ontology def: "Any protective agent that is able to prevent damage to the kidney." [] subset: 3_STAR synonym: "nephroprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:76603 name: chlorendic acid namespace: chebi_ontology def: "A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers." [] subset: 3_STAR synonym: "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid" RELATED [ChemIDplus] synonym: "1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid" RELATED [ChemIDplus] synonym: "1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorendic acid" EXACT [KEGG_COMPOUND] synonym: "Hexachloro-endo-methylenetetrahydrophthalic acid" RELATED [ChemIDplus] xref: CAS:115-28-6 {source="KEGG COMPOUND"} xref: CAS:115-28-6 {source="ChemIDplus"} xref: KEGG:C19204 xref: PMID:12748725 {source="Europe PMC"} xref: PMID:1367592 {source="Europe PMC"} xref: PMID:15318386 {source="Europe PMC"} xref: PMID:18961903 {source="Europe PMC"} xref: PMID:21089823 {source="Europe PMC"} xref: PMID:21850124 {source="Europe PMC"} xref: PMID:2197462 {source="Europe PMC"} xref: PMID:22584684 {source="Europe PMC"} xref: PMID:2629100 {source="Europe PMC"} xref: PMID:7120517 {source="Europe PMC"} xref: PMID:8792842 {source="Europe PMC"} xref: Reaxys:1892213 {source="Reaxys"} xref: Reaxys:8156979 {source="Reaxys"} xref: Wikipedia:Chlorendic_acid is_a: CHEBI:35692 ! dicarboxylic acid is_a: CHEBI:35990 ! bridged compound is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H4Cl6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DJKGDNKYTKCJKD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "388.84400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "385.82407" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl" xsd:string [Term] id: CHEBI:76617 name: EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor namespace: chebi_ontology alt_id: CHEBI:66921 def: "An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2)." [] subset: 3_STAR synonym: "ABL inhibitor" RELATED [ChEBI] synonym: "ABL inhibitors" RELATED [ChEBI] synonym: "ABL1 inhibitor" RELATED [ChEBI] synonym: "ABL1 inhibitors" RELATED [ChEBI] synonym: "ABL2 inhibitor" RELATED [ChEBI] synonym: "ABL2 inhibitors" RELATED [ChEBI] synonym: "ABLL inhibitor" RELATED [ChEBI] synonym: "ABLL inhibitors" RELATED [ChEBI] synonym: "ACK1 inhibitor" RELATED [ChEBI] synonym: "ACK1 inhibitors" RELATED [ChEBI] synonym: "ACK2 inhibitor" RELATED [ChEBI] synonym: "ACK2 inhibitors" RELATED [ChEBI] synonym: "AGMX1 inhibitor" RELATED [ChEBI] synonym: "AGMX1 inhibitors" RELATED [ChEBI] synonym: "ARG inhibitor" RELATED [ChEBI] synonym: "ARG inhibitors" RELATED [ChEBI] synonym: "ATK inhibitor" RELATED [ChEBI] synonym: "ATK inhibitors" RELATED [ChEBI] synonym: "ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitor" RELATED [ChEBI] synonym: "ATP:[protein]-L-tyrosine O-phosphotransferase (non-specific) inhibitors" RELATED [ChEBI] synonym: "BLK inhibitor" RELATED [ChEBI] synonym: "BLK inhibitors" RELATED [ChEBI] synonym: "Bmk inhibitor" RELATED [ChEBI] synonym: "Bmk inhibitors" RELATED [ChEBI] synonym: "BMX inhibitor" RELATED [ChEBI] synonym: "BMX inhibitors" RELATED [ChEBI] synonym: "BRK inhibitor" RELATED [ChEBI] synonym: "BRK inhibitors" RELATED [ChEBI] synonym: "Bruton's tyrosine kinase inhibitor" RELATED [ChEBI] synonym: "Bruton's tyrosine kinase inhibitors" RELATED [ChEBI] synonym: "Bsk inhibitor" RELATED [ChEBI] synonym: "Bsk inhibitors" RELATED [ChEBI] synonym: "BTK inhibitor" RELATED [ChEBI] synonym: "BTK inhibitors" RELATED [ChEBI] synonym: "BTKL inhibitor" RELATED [ChEBI] synonym: "BTKL inhibitors" RELATED [ChEBI] synonym: "CAKb inhibitor" RELATED [ChEBI] synonym: "CAKb inhibitors" RELATED [ChEBI] synonym: "Cdgip inhibitor" RELATED [ChEBI] synonym: "Cdgip inhibitors" RELATED [ChEBI] synonym: "CHK inhibitor" RELATED [ChEBI] synonym: "CHK inhibitors" RELATED [ChEBI] synonym: "CSK inhibitor" RELATED [ChEBI] synonym: "CSK inhibitors" RELATED [ChEBI] synonym: "CTK inhibitor" RELATED [ChEBI] synonym: "CTK inhibitors" RELATED [ChEBI] synonym: "CYL inhibitor" RELATED [ChEBI] synonym: "CYL inhibitors" RELATED [ChEBI] synonym: "cytoplasmic protein tyrosine kinase inhibitor" RELATED [ChEBI] synonym: "cytoplasmic protein tyrosine kinase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.10.2 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.10.2 inhibitors" RELATED [ChEBI] synonym: "EMT inhibitor" RELATED [ChEBI] synonym: "EMT inhibitors" RELATED [ChEBI] synonym: "ETK inhibitor" RELATED [ChEBI] synonym: "ETK inhibitors" RELATED [ChEBI] synonym: "Fadk inhibitor" RELATED [ChEBI] synonym: "Fadk inhibitors" RELATED [ChEBI] synonym: "FAK inhibitor" RELATED [ChEBI] synonym: "FAK inhibitors" RELATED [ChEBI] synonym: "FAK2 inhibitor" RELATED [ChEBI] synonym: "FAK2 inhibitors" RELATED [ChEBI] synonym: "FER inhibitor" RELATED [ChEBI] synonym: "FER inhibitors" RELATED [ChEBI] synonym: "Fert1/2 inhibitor" RELATED [ChEBI] synonym: "Fert1/2 inhibitors" RELATED [ChEBI] synonym: "FES inhibitor" RELATED [ChEBI] synonym: "FES inhibitors" RELATED [ChEBI] synonym: "FGR inhibitor" RELATED [ChEBI] synonym: "FGR inhibitors" RELATED [ChEBI] synonym: "focal adhesion kinase inhibitor" RELATED [ChEBI] synonym: "focal adhesion kinase inhibitors" RELATED [ChEBI] synonym: "FPS inhibitor" RELATED [ChEBI] synonym: "FPS inhibitors" RELATED [ChEBI] synonym: "FRK inhibitor" RELATED [ChEBI] synonym: "FRK inhibitors" RELATED [ChEBI] synonym: "FYN inhibitor" RELATED [ChEBI] synonym: "FYN inhibitors" RELATED [ChEBI] synonym: "HCK inhibitor" RELATED [ChEBI] synonym: "HCK inhibitors" RELATED [ChEBI] synonym: "HCTK inhibitor" RELATED [ChEBI] synonym: "HCTK inhibitors" RELATED [ChEBI] synonym: "HYL inhibitor" RELATED [ChEBI] synonym: "HYL inhibitors" RELATED [ChEBI] synonym: "IMD1 inhibitor" RELATED [ChEBI] synonym: "IMD1 inhibitors" RELATED [ChEBI] synonym: "ITK inhibitor" RELATED [ChEBI] synonym: "ITK inhibitors" RELATED [ChEBI] synonym: "IYK inhibitor" RELATED [ChEBI] synonym: "IYK inhibitors" RELATED [ChEBI] synonym: "JAK1 inhibitor" RELATED [ChEBI] synonym: "JAK1 inhibitors" RELATED [ChEBI] synonym: "JAK2 inhibitor" RELATED [ChEBI] synonym: "JAK2 inhibitors" RELATED [ChEBI] synonym: "JAK3 inhibitor" RELATED [ChEBI] synonym: "JAK3 inhibitors" RELATED [ChEBI] synonym: "Janus kinase 1 inhibitor" RELATED [ChEBI] synonym: "Janus kinase 1 inhibitors" RELATED [ChEBI] synonym: "Janus kinase 2 inhibitor" RELATED [ChEBI] synonym: "Janus kinase 2 inhibitors" RELATED [ChEBI] synonym: "Janus kinase 3 inhibitor" RELATED [ChEBI] synonym: "Janus kinase 3 inhibitors" RELATED [ChEBI] synonym: "Janus kinase inhibitor" RELATED [ChEBI] synonym: "JTK1 inhibitor" RELATED [ChEBI] synonym: "JTK1 inhibitors" RELATED [ChEBI] synonym: "JTK9 inhibitor" RELATED [ChEBI] synonym: "JTK9 inhibitors" RELATED [ChEBI] synonym: "L-JAK inhibitor" RELATED [ChEBI] synonym: "L-JAK inhibitors" RELATED [ChEBI] synonym: "LCK inhibitor" RELATED [ChEBI] synonym: "LCK inhibitors" RELATED [ChEBI] synonym: "LSK inhibitor" RELATED [ChEBI] synonym: "LSK inhibitors" RELATED [ChEBI] synonym: "LYN inhibitor" RELATED [ChEBI] synonym: "LYN inhibitors" RELATED [ChEBI] synonym: "MATK inhibitor" RELATED [ChEBI] synonym: "MATK inhibitors" RELATED [ChEBI] synonym: "non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitor" RELATED [ChEBI] synonym: "non-specific protein-tyrosine kinase (EC 2.7.10.2) inhibitors" RELATED [ChEBI] synonym: "Ntk inhibitor" RELATED [ChEBI] synonym: "Ntk inhibitors" RELATED [ChEBI] synonym: "p60c-src protein tyrosine kinase inhibitor" RELATED [ChEBI] synonym: "p60c-src protein tyrosine kinase inhibitors" RELATED [ChEBI] synonym: "PKB inhibitor" RELATED [ChEBI] synonym: "PKB inhibitors" RELATED [ChEBI] synonym: "PSCTK inhibitor" RELATED [ChEBI] synonym: "PSCTK inhibitors" RELATED [ChEBI] synonym: "PSCTK1 inhibitor" RELATED [ChEBI] synonym: "PSCTK1 inhibitors" RELATED [ChEBI] synonym: "PSCTK2 inhibitor" RELATED [ChEBI] synonym: "PSCTK2 inhibitors" RELATED [ChEBI] synonym: "PSCTK4 inhibitor" RELATED [ChEBI] synonym: "PSCTK4 inhibitors" RELATED [ChEBI] synonym: "PSCTK5 inhibitor" RELATED [ChEBI] synonym: "PSCTK5 inhibitors" RELATED [ChEBI] synonym: "PTK2 inhibitor" RELATED [ChEBI] synonym: "PTK2 inhibitors" RELATED [ChEBI] synonym: "PTK2B inhibitor" RELATED [ChEBI] synonym: "PTK2B inhibitors" RELATED [ChEBI] synonym: "PTK6 inhibitor" RELATED [ChEBI] synonym: "PTK6 inhibitors" RELATED [ChEBI] synonym: "PYK2 inhibitor" RELATED [ChEBI] synonym: "PYK2 inhibitors" RELATED [ChEBI] synonym: "RAFTK inhibitor" RELATED [ChEBI] synonym: "RAFTK inhibitors" RELATED [ChEBI] synonym: "RAK inhibitor" RELATED [ChEBI] synonym: "RAK inhibitors" RELATED [ChEBI] synonym: "Rlk inhibitor" RELATED [ChEBI] synonym: "Rlk inhibitors" RELATED [ChEBI] synonym: "Sik inhibitor" RELATED [ChEBI] synonym: "Sik inhibitors" RELATED [ChEBI] synonym: "SLK inhibitor" RELATED [ChEBI] synonym: "SLK inhibitors" RELATED [ChEBI] synonym: "SRC inhibitor" RELATED [ChEBI] synonym: "SRC inhibitors" RELATED [ChEBI] synonym: "SRC2 inhibitor" RELATED [ChEBI] synonym: "SRC2 inhibitors" RELATED [ChEBI] synonym: "SRK inhibitor" RELATED [ChEBI] synonym: "SRK inhibitors" RELATED [ChEBI] synonym: "SRM inhibitor" RELATED [ChEBI] synonym: "SRM inhibitors" RELATED [ChEBI] synonym: "SRMS inhibitor" RELATED [ChEBI] synonym: "SRMS inhibitors" RELATED [ChEBI] synonym: "STD inhibitor" RELATED [ChEBI] synonym: "STD inhibitors" RELATED [ChEBI] synonym: "SYK inhibitor" RELATED [ChEBI] synonym: "SYK inhibitors" RELATED [ChEBI] synonym: "SYN inhibitor" RELATED [ChEBI] synonym: "SYN inhibitors" RELATED [ChEBI] synonym: "Tck inhibitor" RELATED [ChEBI] synonym: "Tck inhibitors" RELATED [ChEBI] synonym: "TEC inhibitor" RELATED [ChEBI] synonym: "TEC inhibitors" RELATED [ChEBI] synonym: "TNK1 inhibitor" RELATED [ChEBI] synonym: "TNK1 inhibitors" RELATED [ChEBI] synonym: "Tsk inhibitor" RELATED [ChEBI] synonym: "Tsk inhibitors" RELATED [ChEBI] synonym: "TXK inhibitor" RELATED [ChEBI] synonym: "TXK inhibitors" RELATED [ChEBI] synonym: "TYK2 inhibitor" RELATED [ChEBI] synonym: "TYK2 inhibitors" RELATED [ChEBI] synonym: "TYK3 inhibitor" RELATED [ChEBI] synonym: "TYK3 inhibitors" RELATED [ChEBI] synonym: "YES1 inhibitor" RELATED [ChEBI] synonym: "YES1 inhibitors" RELATED [ChEBI] synonym: "YK2 inhibitor" RELATED [ChEBI] synonym: "YK2 inhibitors" RELATED [ChEBI] synonym: "ZAP70 inhibitor" RELATED [ChEBI] synonym: "ZAP70 inhibitors" RELATED [ChEBI] xref: Wikipedia:Janus_kinase is_a: CHEBI:38637 ! tyrosine kinase inhibitor is_a: CHEBI:76817 ! EC 2.7.10.* (protein-tyrosine kinase) inhibitor [Term] id: CHEBI:76619 name: omega-methyl fatty acid anion namespace: chebi_ontology def: "A fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3." [] subset: 3_STAR synonym: "an omega-methyl fatty acid" RELATED [UniProt] is_a: CHEBI:28868 ! fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "59.044" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.01330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]C([O-])=O" xsd:string [Term] id: CHEBI:76629 name: 2-lysophosphatidic acid namespace: chebi_ontology def: "Any member of the class of lysophosphatidic acids which has a free hydroxy group at the 2-position of the glycerol moiety." [] subset: 3_STAR synonym: "1-acylglycero-3-phosphate" RELATED [ChEBI] synonym: "1-acylglycero-3-phosphates" RELATED [ChEBI] synonym: "1-acylglycero-3-phosphatidic acid" RELATED [UniProt] synonym: "1-acylglycerol-3-phosphate" RELATED [ChEBI] synonym: "1-acylglycerol-3-phosphates" RELATED [ChEBI] is_a: CHEBI:132742 ! lysophosphatidic acid relationship: is_conjugate_acid_of CHEBI:78166 ! 2-lysophosphatidate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.07590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.00076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(COC([*])=O)COP(O)(O)=O" xsd:string [Term] id: CHEBI:76655 name: EC 2.1.* (C1-transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*)." [] subset: 3_STAR synonym: "C1-transferase (EC 2.1.*) inhibitor" RELATED [ChEBI] synonym: "C1-transferase (EC 2.1.*) inhibitors" RELATED [ChEBI] synonym: "C1-transferase inhibitor" RELATED [ChEBI] synonym: "C1-transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* (C1-transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.* inhibitors" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitor" RELATED [ChEBI] synonym: "one-carbon-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76660 name: EC 2.2.* (aldehyde or ketone transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor interfering with the action of any transferase that transfers an aldehyde or ketone group (EC 2.2.*.*)." [] subset: 3_STAR synonym: "aldehyde or ketone transferase inhibitor" RELATED [ChEBI] synonym: "aldehyde or ketone transferase inhibitors" RELATED [ChEBI] synonym: "aldehyde/ketone transferase (EC 2.2.*) inhibitor" RELATED [ChEBI] synonym: "aldehyde/ketone transferase (EC 2.2.*) inhibitors" RELATED [ChEBI] synonym: "aldehyde/ketone transferase inhibitor" RELATED [ChEBI] synonym: "aldehyde/ketone transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.2.* (aldehyde or ketone transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.2.* inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76661 name: EC 2.3.* (acyltransferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that interferes with the action of an acyltransferase (EC 2.3.*.*)." [] subset: 3_STAR synonym: "acyltransferase inhibitor" RELATED [ChEBI] synonym: "acyltransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.3.* (acyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.3.* inhibitor" RELATED [ChEBI] synonym: "EC 2.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76662 name: EC 2.4.* (glycosyltransferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor inhibiting the action of a glycosyltransferase (EC 2.4.*.*)." [] subset: 3_STAR synonym: "EC 2.4.* (glycosyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.4.* inhibitor" RELATED [ChEBI] synonym: "EC 2.4.* inhibitors" RELATED [ChEBI] synonym: "glycosyltransferase (EC 2.4.*) inhibitor" RELATED [ChEBI] synonym: "glycosyltransferase (EC 2.4.*) inhibitors" RELATED [ChEBI] synonym: "glycosyltransferase inhibitor" RELATED [ChEBI] synonym: "glycosyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76663 name: EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits the transfer of an alkyl (other than methyl) or aryl group (EC 2.5.1.*)." [] subset: 3_STAR synonym: "alkyl/aryl (non-methyl) transferase inhibitor" RELATED [ChEBI] synonym: "alkyl/aryl (non-methyl) transferase inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.* inhibitors" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitor" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase (EC 2.5.1.*) inhibitors" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase inhibitor" RELATED [ChEBI] synonym: "non-methyl alkyl/aryl transferase inhibitors" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase inhibitor" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76834 ! EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:76668 name: EC 2.7.* (P-containing group transferase) inhibitor namespace: chebi_ontology def: "A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*)." [] subset: 3_STAR synonym: "EC 2.7.* (P-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* (phosphorus-containing group transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.* inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase (EC 2.7.*) inhibitors" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitor" RELATED [ChEBI] synonym: "phosphorus-containing group transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76695 name: EC 5.4.* (intramolecular transferase) inhibitor namespace: chebi_ontology def: "An isomerase inhibitor that interferes with the action of an intramolecular transferase (EC 5.4.*.*)." [] subset: 3_STAR synonym: "EC 5.4.* (intramolecular transferase) inhibitors" RELATED [ChEBI] synonym: "intramolecular transferase (EC 5.4.*) inhibitor" RELATED [ChEBI] synonym: "intramolecular transferase (EC 5.4.*) inhibitors" RELATED [ChEBI] synonym: "intramolecular transferase inhibitor" RELATED [ChEBI] synonym: "intramolecular transferase inhibitors" RELATED [ChEBI] is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] id: CHEBI:76697 name: EC 5.99.* (other isomerases) inhibitor namespace: chebi_ontology def: "An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*)." [] subset: 3_STAR synonym: "EC 5.99.* (miscellaneous isomerases) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* (miscellaneous isomerases) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerase) inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* (other isomerases) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.* inhibitor" RELATED [ChEBI] synonym: "EC 5.99.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75596 ! EC 5.* (isomerase) inhibitor [Term] id: CHEBI:76710 name: EC 4.* (lyase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation." [] subset: 3_STAR synonym: "EC 4.* (lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.* inhibitor" RELATED [ChEBI] synonym: "EC 4.* inhibitors" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 4.*.*.* inhibitors" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitor" RELATED [ChEBI] synonym: "lyase (EC 4.*) inhibitorS" RELATED [ChEBI] synonym: "lyase inhibitor" RELATED [ChEBI] synonym: "lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Lyase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76711 name: EC 4.1.* (C-C lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-C lyase (EC 4.1.*.*)." [] subset: 3_STAR synonym: "C-C lyase (EC 4.1.*) inhibitor" RELATED [ChEBI] synonym: "C-C lyase (EC 4.1.*) inhibitors" RELATED [ChEBI] synonym: "C-C lyase inhibitor" RELATED [ChEBI] synonym: "C-C lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.1.* (C-C lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76712 name: EC 4.2.* (C-O lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-O lyase (EC 4.2.*.*)." [] subset: 3_STAR synonym: "C-O lyase (EC 4.2.*) inhibitor" RELATED [ChEBI] synonym: "C-O lyase (EC 4.2.*) inhibitors" RELATED [ChEBI] synonym: "C-O lyase inhibitor" RELATED [ChEBI] synonym: "C-O lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.2.* (C-O lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.* inhibitor" RELATED [ChEBI] synonym: "EC 4.2.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76713 name: EC 4.3.* (C-N lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*)." [] subset: 3_STAR synonym: "C-N lyase (EC 4.3.*) inhibitor" RELATED [ChEBI] synonym: "C-N lyase (EC 4.3.*) inhibitors" RELATED [ChEBI] synonym: "C-N lyase inhibitor" RELATED [ChEBI] synonym: "C-N lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* (C-N lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76716 name: EC 4.6.* (P-O lyase) inhibitor namespace: chebi_ontology def: "A lyase inhibitor which inhibits the action of a P-O lyase (EC 4.6.*.*)." [] subset: 3_STAR synonym: "EC 4.6.* (P-O lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.6.* inhibitor" RELATED [ChEBI] synonym: "EC 4.6.* inhibitors" RELATED [ChEBI] synonym: "P-O lyase (EC 4.6.*) inhibitor" RELATED [ChEBI] synonym: "P-O lyase (EC 4.6.*) inhibitors" RELATED [ChEBI] synonym: "P-O lyase inhibitor" RELATED [ChEBI] synonym: "P-O lyase inhibitors" RELATED [ChEBI] is_a: CHEBI:76710 ! EC 4.* (lyase) inhibitor [Term] id: CHEBI:76725 name: EC 1.* (oxidoreductase) inhibitor namespace: chebi_ontology def: "An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*)." [] subset: 3_STAR synonym: "EC 1.* (oxidoreductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase (EC 1.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase inhibitor" RELATED [ChEBI] synonym: "oxidoreductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Oxidoreductase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76726 name: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*)." [] subset: 3_STAR synonym: "EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-OH group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-OH group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-OH group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-OH group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76727 name: EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the aldehyde or oxo group of donors (EC 1.2.*.*)." [] subset: 3_STAR synonym: "EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitor" RELATED [ChEBI] synonym: "EC 1.2.* (oxidoreductase acting on donor aldehyde or oxo group) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.* inhibitor" RELATED [ChEBI] synonym: "EC 1.2.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on aldehyde or oxo group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on aldehyde or oxo group of donors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on aldehyde/oxo group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on aldehyde/oxo group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on aldehyde or oxo group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on aldehyde or oxo group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on aldehyde/oxo group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on aldehyde/oxo group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde or oxo group (EC 1.2.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde or oxo group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde or oxo group inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group (EC 1.2.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76729 name: EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-CH group of donors (EC 1.3.*.*)." [] subset: 3_STAR synonym: "EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group (EC 1.3.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76730 name: EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH2 group of donors (EC 1.4.*.*)." [] subset: 3_STAR synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor" EXACT [ChEBI] synonym: "EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH2 group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donor inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-NH2 group of donors (EC 1.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76731 name: EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH group of donors (EC 1.5.*.*)." [] subset: 3_STAR synonym: "EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitors" RELATED [ChEBI] synonym: "EC 1.5.* inhibitor" RELATED [ChEBI] synonym: "EC 1.5.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH group of donor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-NH group of donors" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH group of donor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-NH group of donors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76733 name: EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on NADH or NADPH (EC 1.6.*.*)." [] subset: 3_STAR synonym: "EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on NADH or NADPH" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on NADH or NADPH (EC 1.6.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on NADH or NADPH" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on NADH or NADPH (EC 1.6.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH (EC 1.6.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76735 name: EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase of class EC 1.8.*.* (acting on a sulfur group of donors)." [] subset: 3_STAR synonym: "EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.8.* inhibitor" RELATED [ChEBI] synonym: "EC 1.8.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76736 name: EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on a heme group of donors (EC 1.9.*.*)." [] subset: 3_STAR synonym: "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.9.* (oxidoreductase acting on a heme group of donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.* (oxidoreductase acting on donor heme group) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.* inhibitor" RELATED [ChEBI] synonym: "EC 1.9.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on a heme group of donors (EC 1.9.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76737 name: EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on diphenols and related substances as donors (EC 1.10.*.*)." [] subset: 3_STAR synonym: "EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.10.* (oxidoreductases acting on diphenols and related substances as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.* inhibitor" RELATED [ChEBI] synonym: "EC 1.10.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donor" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)" RELATED [ChEBI] synonym: "inhibitor of an oxidoreductase acting on diphenols and related substances as donors" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donor" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donor (EC 1.10.*)" RELATED [ChEBI] synonym: "inhibitors of an oxidoreductase acting on diphenols and related substances as donors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76738 name: EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on peroxide as donors (EC 1.11.*.*)." [] subset: 3_STAR synonym: "EC 1.11.* (oxidoreductase acting on peroxide as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitor" RELATED [ChEBI] synonym: "EC 1.11.* (oxidoreductases acting on peroxide as donors) inhibitors" RELATED [ChEBI] synonym: "EC 1.11.* inhibitor" RELATED [ChEBI] synonym: "EC 1.11.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on peroxide as donors (EC 1.11.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductases acting on peroxide as donors (EC 1.11.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76740 name: EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases), EC 1.13.*.*." [] subset: 3_STAR synonym: "EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitors" RELATED [ChEBI] synonym: "EC 1.13.* inhibitor" RELATED [ChEBI] synonym: "EC 1.13.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) (EC 1.13.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases) inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76741 name: EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on hydrogen as donors (EC 1.14.*.*)." [] subset: 3_STAR synonym: "EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitor of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductases acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76744 name: EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor namespace: chebi_ontology def: "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on CH or CH2 (EC 1.17.*.*)." [] subset: 3_STAR synonym: "EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 (EC 1.17.*) inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 inhibitors" RELATED [ChEBI] is_a: CHEBI:76725 ! EC 1.* (oxidoreductase) inhibitor [Term] id: CHEBI:76759 name: EC 3.* (hydrolase) inhibitor namespace: chebi_ontology def: "Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*)." [] subset: 3_STAR synonym: "EC 3.* (hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.* inhibitors" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitor" RELATED [ChEBI] synonym: "EC 3.*.*.* inhibitors" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitor" RELATED [ChEBI] synonym: "hydrolase (EC 3.*) inhibitors" RELATED [ChEBI] synonym: "hydrolase inhibitor" RELATED [ChEBI] synonym: "hydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Hydrolase is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76760 name: EC 3.1.* (ester hydrolase) inhibitor namespace: chebi_ontology def: "A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*)." [] subset: 3_STAR synonym: "EC 3.1.* (ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.* inhibitors" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitor" RELATED [ChEBI] synonym: "ester hydrolase (EC 3.1.*) inhibitors" RELATED [ChEBI] synonym: "ester hydrolase inhibitor" RELATED [ChEBI] synonym: "ester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76761 name: EC 3.2.* (glycosylase) inhibitor namespace: chebi_ontology def: "A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*)." [] subset: 3_STAR synonym: "EC 3.2.* (glycosylase) inhibitors" RELATED [ChEBI] synonym: "EC 3.2.* inhibitor" RELATED [ChEBI] synonym: "EC 3.2.* inhibitors" RELATED [ChEBI] synonym: "glycosylase (EC 3.2.*) inhibitor" RELATED [ChEBI] synonym: "glycosylase (EC 3.2.*) inhibitors" RELATED [ChEBI] synonym: "glycosylase inhibitor" RELATED [ChEBI] synonym: "glycosylase inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76764 name: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor namespace: chebi_ontology def: "Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*)." [] subset: 3_STAR synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76759 ! EC 3.* (hydrolase) inhibitor [Term] id: CHEBI:76773 name: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*)." [] subset: 3_STAR synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxylic ester hydrolase (EC 3.1.1.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* (carboxylic ester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:76775 name: EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any phosphoric monoester hydrolase (EC 3.1.3.*)." [] subset: 3_STAR synonym: "EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of phosphoric monoester hydrolase" RELATED [ChEBI] synonym: "inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*)" RELATED [ChEBI] synonym: "inhibitors of phosphoric monoester hydrolase" RELATED [ChEBI] synonym: "inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*)" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase inhibitor" RELATED [ChEBI] synonym: "phosphoric monoester hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76760 ! EC 3.1.* (ester hydrolase) inhibitor [Term] id: CHEBI:76779 name: EC 3.4.21.26 (prolyl oligopeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26)." [] subset: 3_STAR synonym: "EC 3.4.21.26 (prolyl oligopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.21.26 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.21.26 inhibitors" RELATED [ChEBI] synonym: "endoprolylpeptidase inhibitor" RELATED [ChEBI] synonym: "endoprolylpeptidase inhibitors" RELATED [ChEBI] synonym: "post-proline cleaving enzyme inhibitor" RELATED [ChEBI] synonym: "post-proline cleaving enzyme inhibitors" RELATED [ChEBI] synonym: "post-proline endopeptidase inhibitor" RELATED [ChEBI] synonym: "post-proline endopeptidase inhibitors" RELATED [ChEBI] synonym: "proline endopeptidase inhibitor" RELATED [ChEBI] synonym: "proline endopeptidase inhibitors" RELATED [ChEBI] synonym: "proline-specific endopeptidase inhibitor" RELATED [ChEBI] synonym: "proline-specific endopeptidase inhibitors" RELATED [ChEBI] synonym: "prolyl endopeptidase inhibitor" RELATED [ChEBI] synonym: "prolyl endopeptidase inhibitors" RELATED [ChEBI] synonym: "prolyl oligopeptidase (EC 3.4.21.26) inhibitor" RELATED [ChEBI] synonym: "prolyl oligopeptidase (EC 3.4.21.26) inhibitors" RELATED [ChEBI] synonym: "prolyl oligopeptidase inhibitor" RELATED [ChEBI] is_a: CHEBI:5924 ! EC 3.4.21.* (serine endopeptidase) inhibitor [Term] id: CHEBI:76782 name: EC 3.4.15.* (peptidyl-dipeptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of a peptidyl dipeptidase (EC 3.4.15.*)." [] subset: 3_STAR synonym: "EC 3.4.15.* (peptidyl-dipeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.15.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.15.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of peptidyl-dipeptidases" RELATED [ChEBI] synonym: "inhibitor of peptidyl-dipeptidases (EC 3.4.15.*)" RELATED [ChEBI] synonym: "inhibitors of peptidyl-dipeptidases" RELATED [ChEBI] synonym: "inhibitors of peptidyl-dipeptidases (EC 3.4.15.*)" RELATED [ChEBI] synonym: "peptidyl-dipeptidase (EC 3.4.15.*) inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase (EC 3.4.15.*) inhibitors" RELATED [ChEBI] synonym: "peptidyl-dipeptidase inhibitor" RELATED [ChEBI] synonym: "peptidyl-dipeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76787 name: EC 3.4.11.* (aminopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes wtih the action of any aminopeptidase (EC 3.4.11.*)." [] subset: 3_STAR synonym: "aminopeptidase (EC 3.4.11.*) inhibitor" RELATED [ChEBI] synonym: "aminopeptidase (EC 3.4.11.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.* (aminopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.11.* inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76788 name: EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor namespace: chebi_ontology def: "An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the activity of any dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*)." [] subset: 3_STAR synonym: "dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases inhibitor" RELATED [ChEBI] synonym: "dipeptidyl- and tripeptidyl-peptidases inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidases and tripeptidyl-peptidases (EC 3.4.14.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.* inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.*(dipeptidyl-peptidases and tripeptidyl-peptidases) inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76790 name: EC 2.4.2.* (pentosyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.4.* (glycosyltransferase) inhibitor that interferes with the action of any pentosyltransferase (EC 2.4.2.*)." [] subset: 3_STAR synonym: "EC 2.4.2.* (pentosyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.4.2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.4.2.* inhibitors" RELATED [ChEBI] synonym: "pentosyltransferase (EC 2.4.2.*) inhibitor" RELATED [ChEBI] synonym: "pentosyltransferase (EC 2.4.2.*) inhibitors" RELATED [ChEBI] synonym: "pentosyltransferase inhibitor" RELATED [ChEBI] synonym: "pentosyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76662 ! EC 2.4.* (glycosyltransferase) inhibitor [Term] id: CHEBI:76796 name: EC 3.4.22.* (cysteine endopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the action of any cysteine endopeptidase (EC 3.4.22.*)." [] subset: 3_STAR synonym: "cysteine endopeptidase (EC 3.4.22.*) inhibitor" RELATED [ChEBI] synonym: "cysteine endopeptidase (EC 3.4.22.*) inhibitors" RELATED [ChEBI] synonym: "cysteine endopeptidase inhibitor" RELATED [ChEBI] synonym: "cysteine endopeptidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.* (cysteine endopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.22.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.22.* inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:76797 name: EC 2.5.1.18 (glutathione transferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18)." [] subset: 3_STAR synonym: "EC 2.5.1.18 (glutathione transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.1.18 inhibitor" RELATED [ChEBI] synonym: "EC 2.5.1.18 inhibitors" RELATED [ChEBI] synonym: "glutathione S-alkyl transferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-alkyl transferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-alkyltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-alkyltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-aralkyltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-aralkyltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-aryltransferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-aryltransferase inhibitors" RELATED [ChEBI] synonym: "glutathione S-transferase inhibitor" RELATED [ChEBI] synonym: "glutathione S-transferase inhibitors" RELATED [ChEBI] synonym: "glutathione transferase (EC 2.5.1.18) inhibitor" RELATED [ChEBI] synonym: "glutathione transferase (EC 2.5.1.18) inhibitors" RELATED [ChEBI] synonym: "glutathione transferase inhibitor" RELATED [ChEBI] synonym: "glutathione transferase inhibitors" RELATED [ChEBI] synonym: "RX:glutathione R-transferase inhibitor" RELATED [ChEBI] synonym: "RX:glutathione R-transferase inhibitors" RELATED [ChEBI] synonym: "S-(hydroxyalkyl)glutathione lyase inhibitor" RELATED [ChEBI] synonym: "S-(hydroxyalkyl)glutathione lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Glutathione_S-transferase is_a: CHEBI:76663 ! EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor [Term] id: CHEBI:76807 name: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*)." [] subset: 3_STAR synonym: "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.* inhibitors" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor" RELATED [ChEBI] synonym: "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] id: CHEBI:76808 name: EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor namespace: chebi_ontology def: "An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*)." [] subset: 3_STAR synonym: "EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.2.* inhibitor" RELATED [ChEBI] synonym: "EC 3.5.2.* inhibitors" RELATED [ChEBI] synonym: "non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitor" RELATED [ChEBI] synonym: "non-peptide cyclic amide C-N hydrolase (EC 3.5.2.*) inhibitors" RELATED [ChEBI] synonym: "non-peptide cyclic amide C-N hydrolase inhibitor" RELATED [ChEBI] synonym: "non-peptide cyclic amide C-N hydrolase inhibitors" RELATED [ChEBI] is_a: CHEBI:76764 ! EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor [Term] id: CHEBI:76811 name: EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor namespace: chebi_ontology def: "An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of sphingomyelin phosphodiesterase (EC 3.1.4.12)." [] subset: 3_STAR synonym: "acid sphingomyelinase inhibitor" RELATED [ChEBI] synonym: "acid sphingomyelinase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.4.12 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.4.12 inhibitors" RELATED [ChEBI] synonym: "neutral sphingomyelinase inhibitor" RELATED [ChEBI] synonym: "neutral sphingomyelinase inhibitors" RELATED [ChEBI] synonym: "SMase inhibitor" RELATED [ChEBI] synonym: "SMase inhibitors" RELATED [ChEBI] synonym: "sphingomyelin cholinephosphohydrolase inhibitor" RELATED [ChEBI] synonym: "sphingomyelin cholinephosphohydrolase inhibitors" RELATED [ChEBI] synonym: "sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitor" RELATED [ChEBI] synonym: "sphingomyelin phosphodiesterase (EC 3.1.4.12) inhibitors" RELATED [ChEBI] synonym: "sphingomyelin phosphodiesterase inhibitor" RELATED [ChEBI] synonym: "sphingomyelin phosphodiesterase inhibitors" RELATED [ChEBI] xref: Wikipedia:Sphingomyelin_phosphodiesterase is_a: CHEBI:50218 ! EC 3.1.4.* (phosphoric diester hydrolase) inhibitor [Term] id: CHEBI:76812 name: EC 2.7.11.* (protein-serine/threonine kinase) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-serine/threonine kinase (EC 2.7.11.*)." [] subset: 3_STAR synonym: "EC 2.7.11.* (protein-serine/threonine kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.11.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.11.* inhibitors" RELATED [ChEBI] synonym: "protein-serine/threonine kinase (EC 2.7.11.*) inhibitor" RELATED [ChEBI] synonym: "protein-serine/threonine kinase (EC 2.7.11.*) inhibitors" RELATED [ChEBI] synonym: "protein-serine/threonine kinase inhibitor" RELATED [ChEBI] synonym: "protein-serine/threonine kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:76815 name: EC 2.7.7.* (nucleotidyltransferase) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*)." [] subset: 3_STAR synonym: "EC 2.7.7.* (nucleotidyltransferase) inhibitors" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitor of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases" RELATED [ChEBI] synonym: "inhibitors of nucleotidyltransferases (EC 2.7.7.*)" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase (EC 2.7.7.*) inhibitors" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitor" RELATED [ChEBI] synonym: "nucleotidyltransferase inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76816 name: EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with any enzyme in the EC 2.7.8.* (transferases for other substituted phosphate groups) category." [] subset: 3_STAR synonym: "EC 2.7.8.* (transferases for other substituted phosphate groups) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.8.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.8.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76817 name: EC 2.7.10.* (protein-tyrosine kinase) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-tyrosine kinase (EC 2.7.10.*)." [] subset: 3_STAR synonym: "EC 2.7.10.* (protein-tyrosine kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.10.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.10.* inhibitors" RELATED [ChEBI] synonym: "protein-tyrosine kinase (EC 2.7.10.*) inhibitor" RELATED [ChEBI] synonym: "protein-tyrosine kinase (EC 2.7.10.*) inhibitors" RELATED [ChEBI] synonym: "protein-tyrosine kinase inhibitor" RELATED [ChEBI] synonym: "protein-tyrosine kinase inhibitors" RELATED [ChEBI] is_a: CHEBI:37699 ! protein kinase inhibitor [Term] id: CHEBI:76823 name: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor namespace: chebi_ontology def: "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*)." [] subset: 3_STAR synonym: "acid-ammonia (or amine) ligase inhibitor" RELATED [ChEBI] synonym: "acid-ammonia (or amine) ligase inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:75600 ! EC 6.3.* (C-N bond-forming ligase) inhibitor [Term] id: CHEBI:76824 name: EC 6.4.1.* (carboxylase) inhibitor namespace: chebi_ontology def: "An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*)." [] subset: 3_STAR synonym: "EC 6.4.1.* (C-C bond forming ligase) inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.* (C-C bond forming ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* (C-C bond-forming ligase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* (carboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.* inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of ligases forming C-C bonds" RELATED [ChEBI] synonym: "inhibitor of ligases forming C-C bonds (EC 6.4.1.*)" RELATED [ChEBI] synonym: "inhibitors of ligases forming C-C bonds" RELATED [ChEBI] synonym: "inhibitors of ligases forming C-C bonds (EC 6.4.1.*)" RELATED [ChEBI] is_a: CHEBI:75604 ! EC 6.4.* (C-C bond-forming ligase) inhibitor [Term] id: CHEBI:76829 name: EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitor namespace: chebi_ontology def: "An EC 5.4.* (intramolecular transferase) inhibitor that interferes with the activity of any intramolecular transferase transferring amino groups (EC 5.4.3.*)." [] subset: 3_STAR synonym: "EC 5.4.3.* (intramolecular transferase transferring amino groups) inhibitors" RELATED [ChEBI] synonym: "EC 5.4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 5.4.3.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of intramolecular transferase transferring amino groups" RELATED [ChEBI] synonym: "inhibitor of intramolecular transferase transferring amino groups (EC 5.4.3.*)" RELATED [ChEBI] synonym: "inhibitors of intramolecular transferase transferring amino groups" RELATED [ChEBI] synonym: "inhibitors of intramolecular transferase transferring amino groups (EC 5.4.3.*)" RELATED [ChEBI] is_a: CHEBI:76695 ! EC 5.4.* (intramolecular transferase) inhibitor [Term] id: CHEBI:76830 name: EC 5.99.1.* (miscellaneous isomerase) inhibitor namespace: chebi_ontology def: "An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class." [] subset: 3_STAR synonym: "EC 5.99.1.* (miscellaneous isomerase) inhibitors" RELATED [ChEBI] synonym: "EC 5.99.1.* inhibitor" RELATED [ChEBI] synonym: "EC 5.99.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76697 ! EC 5.99.* (other isomerases) inhibitor [Term] id: CHEBI:76832 name: EC 4.3.1.* (ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*)." [] subset: 3_STAR synonym: "ammonia-lyase (EC 4.3.1.*) inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase (EC 4.3.1.*) inhibitors" RELATED [ChEBI] synonym: "ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* (ammonia-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76713 ! EC 4.3.* (C-N lyase) inhibitor [Term] id: CHEBI:76834 name: EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitor namespace: chebi_ontology def: "An EC 2.5.* (transferase) inhibitor that inhibits the action of any transferase that transfers an alkyl (other than methyl) or aryl group (EC 2.5.*)." [] subset: 3_STAR synonym: "EC 2.5.* (non-methyl-alkyl or aryl transferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.5.* inhibitor" RELATED [ChEBI] synonym: "EC 2.5.* inhibitors" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitor" RELATED [ChEBI] synonym: "non-methyl-alkyl or aryl transferase (EC 2.5.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:71300 ! EC 2.* (transferase) inhibitor [Term] id: CHEBI:76835 name: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*)." [] subset: 3_STAR synonym: "EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76726 ! EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor [Term] id: CHEBI:76837 name: EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor namespace: chebi_ontology def: "An EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor that inhibits the action of any oxidoreductase incorporating 2 atoms of oxygen (EC 1.13.11.*)." [] subset: 3_STAR synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.* inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on single donors and incorporating 2 atoms of oxygen (EC 1.13.11.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76740 ! EC 1.13.* [oxidoreductase acting on single donors with incorporation of molecular oxygen (oxygenases)] inhibitor [Term] id: CHEBI:76838 name: EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using reduced flavin or flavoprotein as donor (EC 1.14.14.*)." [] subset: 3_STAR synonym: "EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.* (oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, with incorporation of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor (EC 1.14.14.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76840 name: EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any enzyme in the EC 1.14.99.* (miscellaneous) category." [] subset: 3_STAR synonym: "EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.99.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.99.* inhibitors" RELATED [ChEBI] synonym: "miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitor" RELATED [ChEBI] synonym: "miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen (EC 1.14.99.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76841 name: EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme incorporating one atom of oxygen and using NADH or NADPH as one donor (EC 1.14.13.*)." [] subset: 3_STAR synonym: "EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.13.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor (EC 1.14.13.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76845 name: EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor namespace: chebi_ontology def: "An EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of any such enzyme using a miscellaneous compound as one donor and incorporating one atom of oxygen (EC 1.14.18.*)." [] subset: 3_STAR synonym: "EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.18.* inhibitor" RELATED [ChEBI] synonym: "EC 1.14.18.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen (EC 1.14.18.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76741 ! EC 1.14.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor [Term] id: CHEBI:76848 name: EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that interferes with the activity of any such enzyme that uses a disulfide as acceptor (EC 1.17.4.*)." [] subset: 3_STAR synonym: "EC 1.17.4.* (oxidoreductase acting on CH or CH2 with a disulfide as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.17.4.* inhibitor" RELATED [ChEBI] synonym: "EC 1.17.4.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH or CH2 with a disulfide as acceptor (EC 1.17.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76744 ! EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor [Term] id: CHEBI:76852 name: EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.2.1.*)." [] subset: 3_STAR synonym: "EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.2.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor (EC 1.2.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor [Term] id: CHEBI:76853 name: EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.2.3.*)." [] subset: 3_STAR synonym: "EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.2.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.2.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor (EC 1.2.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76727 ! EC 1.2.* (oxidoreductase acting on donor aldehyde/oxo group) inhibitor [Term] id: CHEBI:76857 name: EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.3.1.*)." [] subset: 3_STAR synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH group of donor with NAD(+) or NADP(+) as acceptor (EC 1.3.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] id: CHEBI:76859 name: EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitor namespace: chebi_ontology def: "An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the function of any such enzyme in the EC 1.3.98.* (with other acceptors) category." [] subset: 3_STAR synonym: "EC 1.3.99.* (oxidoreductase acting on donor CH-CH group with other acceptors) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.99.* (oxidoreductase acting on donor CH-CH group, with other acceptors) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.99.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.99.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group with other acceptors (EC 1.3.99.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] id: CHEBI:76860 name: EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.3.3.*)." [] subset: 3_STAR synonym: "EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor" RELATED [ChEBI] synonym: "EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.3.* (oxidoreductase acting on donor CH-CH group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-CH group with oxygen as acceptor (EC 1.3.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] id: CHEBI:76861 name: EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.4.3.*)." [] subset: 3_STAR synonym: "EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor (EC 1.4.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76730 ! EC 1.4.* (oxidoreductase acting on donor CH-NH2 group) inhibitor [Term] id: CHEBI:76863 name: EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.5.1.*)." [] subset: 3_STAR synonym: "EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.5.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.5.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76731 ! EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor [Term] id: CHEBI:76866 name: EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor that interferes with the action of any such enzyme using a quinone or similar as acceptor (EC 1.6.5.*)." [] subset: 3_STAR synonym: "EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.6.5.* inhibitor" RELATED [ChEBI] synonym: "EC 1.6.5.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor (EC 1.6.5.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76733 ! EC 1.6.* (oxidoreductase acting on NADH or NADPH) inhibitor [Term] id: CHEBI:76869 name: EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.8.1.*)." [] subset: 3_STAR synonym: "EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.8.1.* inhibitor" RELATED [ChEBI] synonym: "EC 1.8.1.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76735 ! EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor [Term] id: CHEBI:76870 name: EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.9.3.*)." [] subset: 3_STAR synonym: "EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.9.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.9.3.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on donor heme group, oxygen as acceptor (EC 1.9.3.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76736 ! EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor [Term] id: CHEBI:76871 name: EC 2.1.1.* (methyltransferases) inhibitor namespace: chebi_ontology def: "An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*)." [] subset: 3_STAR synonym: "EC 2.1.1.* (methyltransferase) inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.* (methyltransferase) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.* (methyltransferases) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.* inhibitors" RELATED [ChEBI] synonym: "methyltransferase (EC 2.1.1.*) inhibitor" RELATED [ChEBI] synonym: "methyltransferase (EC 2.1.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] id: CHEBI:76874 name: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor namespace: chebi_ontology def: "An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*)." [] subset: 3_STAR synonym: "EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitor" RELATED [ChEBI] synonym: "EC 2.1.2.* inhibitors" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor" RELATED [ChEBI] synonym: "hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76655 ! EC 2.1.* (C1-transferase) inhibitor [Term] id: CHEBI:76876 name: EC 2.2.1.* (transketolase/transaldolase) inhibitor namespace: chebi_ontology def: "An EC 2.2.* (aldehyde or ketone transferase) inhibitor that interferes with the action of any (transketolase or transaldolase (EC 2.2.1.*)." [] subset: 3_STAR synonym: "EC 2.2.1.* (transketolase/transaldolase) inhibitors" RELATED [ChEBI] synonym: "EC 2.2.1.* (transketolases and transaldolases) inhibitor" RELATED [ChEBI] synonym: "EC 2.2.1.* (transketolases and transaldolases) inhibitors" RELATED [ChEBI] synonym: "EC 2.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.2.1.* inhibitors" RELATED [ChEBI] synonym: "transketolase/transaldolase (EC 2.2.1.*) inhibitor" RELATED [ChEBI] synonym: "transketolase/transaldolase (EC 2.2.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76660 ! EC 2.2.* (aldehyde or ketone transferase) inhibitor [Term] id: CHEBI:76878 name: EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor namespace: chebi_ontology def: "An EC 2.3.* (acyltransferase) inhibitor that inhibits the action of any acyltransferase transferring groups other than amino-acyl groups (EC 2.3.1.*)." [] subset: 3_STAR synonym: "acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitor" RELATED [ChEBI] synonym: "acyltransferase transferring other than amino-acyl group EC 2.3.1.* inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitors" RELATED [ChEBI] synonym: "EC 2.3.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.3.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76661 ! EC 2.3.* (acyltransferase) inhibitor [Term] id: CHEBI:76881 name: EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor namespace: chebi_ontology def: "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any phosphotransferase with an alcohol group as acceptor (EC 2.7.1.*)." [] subset: 3_STAR synonym: "EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.* inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.* inhibitors" RELATED [ChEBI] synonym: "phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitor" RELATED [ChEBI] synonym: "phosphotransferases with an alcohol group as acceptor (EC 2.7.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76668 ! EC 2.7.* (P-containing group transferase) inhibitor [Term] id: CHEBI:76891 name: EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.11.* (aminopeptidase) inhibitor that interferes with the action of cytosol alanyl aminopeptidase (EC 3.4.11.14)." [] subset: 3_STAR synonym: "alanine aminopeptidase inhibitor" RELATED [ChEBI] synonym: "alanine aminopeptidase inhibitors" RELATED [ChEBI] synonym: "aminopolypeptidase inhibitor" RELATED [ChEBI] synonym: "aminopolypeptidase inhibitors" RELATED [ChEBI] synonym: "arylamidase inhibitor" RELATED [ChEBI] synonym: "arylamidase inhibitors" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitor" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase (EC 3.4.11.14) inhibitors" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "cytosol alanyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "cytosol aminopeptidase III inhibitor" RELATED [ChEBI] synonym: "cytosol aminopeptidase III inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.11.14 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.11.14 inhibitors" RELATED [ChEBI] synonym: "human liver aminopeptidase inhibitor" RELATED [ChEBI] synonym: "human liver aminopeptidase inhibitors" RELATED [ChEBI] synonym: "puromycin-sensitive aminopeptidase inhibitor" RELATED [ChEBI] synonym: "puromycin-sensitive aminopeptidase inhibitors" RELATED [ChEBI] synonym: "soluble alanyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "soluble alanyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "thiol-activated aminopeptidase inhibitor" RELATED [ChEBI] synonym: "thiol-activated aminopeptidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Cytosol_alanyl_aminopeptidase is_a: CHEBI:76787 ! EC 3.4.11.* (aminopeptidase) inhibitor [Term] id: CHEBI:76893 name: EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor namespace: chebi_ontology def: "An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that interferes with the action of dipeptidyl-peptidase II (EC 3.4.14.2)." [] subset: 3_STAR synonym: "carboxytripeptidase inhibitor" RELATED [ChEBI] synonym: "carboxytripeptidase inhibitors" RELATED [ChEBI] synonym: "DAP II inhibitor" RELATED [ChEBI] synonym: "DAP II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl aminopeptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl arylamidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl arylamidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl(amino)peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl(amino)peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II (EC 3.4.14.2) inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II (EC 3.4.14.2) inhibitors" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II inhibitor" RELATED [ChEBI] synonym: "dipeptidyl-peptidase II inhibitors" RELATED [ChEBI] synonym: "dipeptidylarylamidase inhibitor" RELATED [ChEBI] synonym: "dipeptidylarylamidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.14.2 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.14.2 inhibitors" RELATED [ChEBI] is_a: CHEBI:76788 ! EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor [Term] id: CHEBI:76895 name: EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor namespace: chebi_ontology def: "An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme that catalyses transmembrane movement of substances (EC 3.6.3.*)." [] subset: 3_STAR synonym: "acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitor" RELATED [ChEBI] synonym: "acid anhydride hydrolase catalysing transmembrane movement of substances (EC 3.6.3.*) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor [Term] id: CHEBI:76898 name: EC 1.14.14.1 (unspecific monooxygenase) inhibitor namespace: chebi_ontology def: "An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of an unspecified monooxygenase (EC 1.14.14.1)." [] subset: 3_STAR synonym: "aryl hydrocarbon hydroxylase inhibitor" RELATED [ChEBI] synonym: "aryl hydrocarbon hydroxylase inhibitors" RELATED [ChEBI] synonym: "aryl-4-monooxygenase inhibitor" RELATED [ChEBI] synonym: "aryl-4-monooxygenase inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.1 (unspecific monooxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.14.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.14.1 inhibitors" RELATED [ChEBI] synonym: "flavoprotein monooxygenase inhibitor" RELATED [ChEBI] synonym: "flavoprotein monooxygenase inhibitors" RELATED [ChEBI] synonym: "flavoprotein-linked monooxygenase inhibitor" RELATED [ChEBI] synonym: "flavoprotein-linked monooxygenase inhibitors" RELATED [ChEBI] synonym: "microsomal monooxygenase inhibitor" RELATED [ChEBI] synonym: "microsomal monooxygenase inhibitors" RELATED [ChEBI] synonym: "microsomal P-450 inhibitor" RELATED [ChEBI] synonym: "microsomal P-450 inhibitors" RELATED [ChEBI] synonym: "substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitor" RELATED [ChEBI] synonym: "substrate,reduced-flavoprotein:oxygen oxidoreductase (RH-hydroxylating or -epoxidising) inhibitors" RELATED [ChEBI] synonym: "unspecific monooxygenase (EC 1.14.14.1) inhibitor" RELATED [ChEBI] synonym: "unspecific monooxygenase (EC 1.14.14.1) inhibitors" RELATED [ChEBI] synonym: "unspecific monooxygenase inhibitor" RELATED [ChEBI] synonym: "unspecific monooxygenase inhibitors" RELATED [ChEBI] synonym: "xenobiotic monooxygenase inhibitor" RELATED [ChEBI] synonym: "xenobiotic monooxygenase inhibitors" RELATED [ChEBI] is_a: CHEBI:76838 ! EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor [Term] id: CHEBI:76906 name: EC 4.1.1.* (carboxy-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.1.* (C-C lyase) inhibitor that interferes with the action of any carboxy-lyase (EC 4.1.1.*)." [] subset: 3_STAR synonym: "carboxy-lyase (EC 4.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxy-lyase (EC 4.1.1.*) inhibitors" RELATED [ChEBI] synonym: "carboxy-lyases (EC 4.1.1.*) inhibitor" RELATED [ChEBI] synonym: "carboxy-lyases (EC 4.1.1.*) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.* (carboxy-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.1.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.1.1.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76711 ! EC 4.1.* (C-C lyase) inhibitor [Term] id: CHEBI:76907 name: EC 4.2.1.* (hydro-lyases) inhibitor namespace: chebi_ontology def: "An EC 4.2.* (C-O lyase) inhibitor that interferes with the action of any hydro-lyase (EC 4.2.1.*)." [] subset: 3_STAR synonym: "EC 4.2.1.* (hydro-lyase) inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.* (hydro-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.* (hydro-lyases) inhibitors" RELATED [ChEBI] synonym: "EC 4.2.1.* inhibitor" RELATED [ChEBI] synonym: "EC 4.2.1.* inhibitors" RELATED [ChEBI] synonym: "hydro-lyase (EC 4.2.1.*) inhibitor" RELATED [ChEBI] synonym: "hydro-lyase (EC 4.2.1.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76712 ! EC 4.2.* (C-O lyase) inhibitor [Term] id: CHEBI:76924 name: plant metabolite namespace: chebi_ontology alt_id: CHEBI:75766 alt_id: CHEBI:76925 def: "Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms." [] subset: 3_STAR synonym: "plant metabolites" RELATED [ChEBI] synonym: "plant secondary metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76926 name: EC 3.4.13.19 (membrane dipeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.13.* (dipeptidase) inhibitor that interferes with the action of membrane dipeptidase (EC 3.4.13.19)." [] subset: 3_STAR synonym: "aminodipeptidase inhibitors" RELATED [ChEBI] synonym: "dehydropeptidase I (DPH I) inhibitors" RELATED [ChEBI] synonym: "dehydropeptidase I inhibitors" RELATED [ChEBI] synonym: "dipeptidase inhibitors" RELATED [ChEBI] synonym: "dipeptide hydrolase inhibitors" RELATED [ChEBI] synonym: "dipeptidyl hydrolase inhibitors" RELATED [ChEBI] synonym: "DPH I inhibitors" RELATED [ChEBI] synonym: "EC 3.4.13.19 (membrane dipeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.13.19 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.13.19 inhibitors" RELATED [ChEBI] synonym: "glycosyl-phosphatidylinositol-anchored renal dipeptidase inhibitors" RELATED [ChEBI] synonym: "MDP inhibitors" RELATED [ChEBI] synonym: "membrane dipeptidase (EC 3.4.13.19) inhibitor" RELATED [ChEBI] synonym: "membrane dipeptidase (EC 3.4.13.19) inhibitors" RELATED [ChEBI] synonym: "membrane dipeptidase inhibitor" RELATED [ChEBI] synonym: "membrane dipeptidase inhibitors" RELATED [ChEBI] synonym: "microsomal dipeptidase inhibitors" RELATED [ChEBI] synonym: "nonspecific dipeptidase inhibitors" RELATED [ChEBI] synonym: "renal dipeptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:59499 ! EC 3.4.13.* (dipeptidase) inhibitor [Term] id: CHEBI:76928 name: 2,3-saturated fatty acid(1-) namespace: chebi_ontology def: "A fatty acid anion obtained by deprotonation of the carboxy group of any 2,3-saturated fatty acid." [] subset: 3_STAR synonym: "a 2,3-saturated fatty acid" RELATED [UniProt] is_a: CHEBI:83955 ! 2-saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:76929 ! 2,3-saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CC[*]" xsd:string [Term] id: CHEBI:76929 name: 2,3-saturated fatty acid namespace: chebi_ontology def: "Any fatty acid in which the first two carbons of the chain attached to the carboxy group are saturated and unbranched." [] subset: 3_STAR is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:76928 ! 2,3-saturated fatty acid(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.071" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC[*]" xsd:string [Term] id: CHEBI:76932 name: pathway inhibitor namespace: chebi_ontology def: "An enzyme inhibitor that interferes with one or more steps in a metabolic pathway." [] subset: 3_STAR synonym: "metabolic pathway inhibitor" RELATED [ChEBI] synonym: "metabolic pathway inhibitors" RELATED [ChEBI] synonym: "pathway inhibitors" RELATED [ChEBI] is_a: CHEBI:23924 ! enzyme inhibitor [Term] id: CHEBI:76938 name: EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor namespace: chebi_ontology def: "An EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on ATP and involved in cellular and subcellular movement (EC 3.6.4.*)." [] subset: 3_STAR synonym: "EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitor" RELATED [ChEBI] synonym: "EC 3.6.4.* (hydrolase acting on ATP; involved in cellular and subcellular movement) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.4.* inhibitor" RELATED [ChEBI] synonym: "EC 3.6.4.* inhibitors" RELATED [ChEBI] synonym: "hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitor" RELATED [ChEBI] synonym: "hydrolases acting on ATP; involved in cellular and subcellular movement (EC 3.6.4.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:73216 ! EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor [Term] id: CHEBI:76939 name: EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor namespace: chebi_ontology def: "An EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor that interferes with the action of a non-chaperonin molecular chaperone ATPase (EC 3.6.4.10)." [] subset: 3_STAR synonym: "ATP phosphohydrolase (polypeptide-polymerising) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (polypeptide-polymerising) inhibitors" RELATED [ChEBI] synonym: "ATP phosphohydrolase (polypeptide-polymerizing) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (polypeptide-polymerizing) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.4.10 inhibitor" RELATED [ChEBI] synonym: "EC 3.6.4.10 inhibitors" RELATED [ChEBI] synonym: "molecular chaperone Hsc70 ATPase inhibitor" RELATED [ChEBI] synonym: "molecular chaperone Hsc70 ATPase inhibitors" RELATED [ChEBI] synonym: "non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitor" RELATED [ChEBI] synonym: "non-chaperonin molecular chaperone ATPase (EC 3.6.4.10) inhibitors" RELATED [ChEBI] xref: Wikipedia:Non-chaperonin_molecular_chaperone_ATPase is_a: CHEBI:76938 ! EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor [Term] id: CHEBI:76946 name: fungal metabolite namespace: chebi_ontology alt_id: CHEBI:75765 alt_id: CHEBI:76947 def: "Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds." [] subset: 3_STAR synonym: "fungal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:76956 name: Aspergillus metabolite namespace: chebi_ontology alt_id: CHEBI:75864 alt_id: CHEBI:76958 def: "Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus." [] subset: 3_STAR synonym: "Aspergillus metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:76964 name: Penicillium metabolite namespace: chebi_ontology alt_id: CHEBI:76205 alt_id: CHEBI:76963 def: "Any fungal metabolite produced during a metabolic reaction in Penicillium." [] subset: 3_STAR synonym: "Penicillium metabolites" RELATED [ChEBI] is_a: CHEBI:76946 ! fungal metabolite [Term] id: CHEBI:76967 name: human xenobiotic metabolite namespace: chebi_ontology def: "Any human metabolite produced by metabolism of a xenobiotic compound in humans." [] subset: 3_STAR synonym: "human xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:76969 name: bacterial metabolite namespace: chebi_ontology alt_id: CHEBI:75760 alt_id: CHEBI:76970 def: "Any prokaryotic metabolite produced during a metabolic reaction in bacteria." [] subset: 3_STAR is_a: CHEBI:75787 ! prokaryotic metabolite [Term] id: CHEBI:76971 name: Escherichia coli metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced during a metabolic reaction in Escherichia coli." [] subset: 3_STAR synonym: "E.coli metabolite" RELATED [ChEBI] synonym: "E.coli metabolites" RELATED [ChEBI] synonym: "Escherichia coli metabolites" RELATED [ChEBI] is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:76976 name: bacterial xenobiotic metabolite namespace: chebi_ontology def: "Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria." [] subset: 3_STAR synonym: "bacterial xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:76983 name: N-sulfonylurea namespace: chebi_ontology def: "A urea in which one of the hydrogens attached to a nitrogen of the urea group is replaced by a sulfonyl group. The N-sulfonylurea moiety is a key group in various herbicides, as well as in a number of antidiabetic drugs used in the management of type 2 diabetis mellitus." [] subset: 3_STAR synonym: "N-sulfonylureas" RELATED [ChEBI] synonym: "sulfonylurea" RELATED [ChEBI] synonym: "sulfonylureas" RELATED [ChEBI] xref: PMID:23237384 {source="Europe PMC"} xref: PMID:23594109 {source="Europe PMC"} xref: PMID:23609875 {source="Europe PMC"} xref: Wikipedia:Sulfonylurea is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:47857 ! ureas property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN2O3SR4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.08700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.96296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)N([*])C(=O)N([*])[*]" xsd:string [Term] id: CHEBI:76988 name: xenoestrogen namespace: chebi_ontology def: "A synthetic or semi-synthetic compound that has oestrogenic activity." [] subset: 3_STAR synonym: "xenoestrogens" RELATED [ChEBI] xref: Wikipedia:Xenoestrogen is_a: CHEBI:138015 ! endocrine disruptor is_a: CHEBI:50114 ! estrogen [Term] id: CHEBI:76989 name: phytoestrogen namespace: chebi_ontology def: "Any compound produced by a plant that happens to have estrogenic activity." [] subset: 3_STAR synonym: "phytoestrogens" RELATED [ChEBI] xref: Wikipedia:Phytoestrogen is_a: CHEBI:50114 ! estrogen [Term] id: CHEBI:77019 name: EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor namespace: chebi_ontology def: "An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme in the EC 1.10.99.* category." [] subset: 3_STAR synonym: "EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.* inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.* inhibitors" RELATED [ChEBI] synonym: "oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductases acting on diphenols and related substances as donors, other acceptors (EC 1.10.99.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor [Term] id: CHEBI:77020 name: EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor namespace: chebi_ontology def: "An EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor that interferes with the action of ribosyldihydronicotinamide dehydrogenase (quinone), EC 1.10.99.2." [] subset: 3_STAR synonym: "1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "1-(beta-D-ribofuranosyl)-1,4-dihydronicotinamide:quinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.2 (ribosyldihydronicotinamide dehydrogenase (quinone)) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitors" RELATED [ChEBI] synonym: "EC 1.10.99.2 inhibitor" RELATED [ChEBI] synonym: "EC 1.10.99.2 inhibitors" RELATED [ChEBI] synonym: "N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitor" RELATED [ChEBI] synonym: "N-ribosyldihydronicotinamide dehydrogenase (quinone) inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase-2 inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase-2 inhibitors" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase2 inhibitor" RELATED [ChEBI] synonym: "NAD(P)H:quinone oxidoreductase2 inhibitors" RELATED [ChEBI] synonym: "NQO2 inhibitor" RELATED [ChEBI] synonym: "NQO2 inhibitors" RELATED [ChEBI] synonym: "NRH:quinone oxidoreductase 2 inhibitor" RELATED [ChEBI] synonym: "NRH:quinone oxidoreductase 2 inhibitors" RELATED [ChEBI] synonym: "QR2 inhibitor" RELATED [ChEBI] synonym: "QR2 inhibitors" RELATED [ChEBI] synonym: "quinone reductase 2 inhibitor" RELATED [ChEBI] synonym: "quinone reductase 2 inhibitors" RELATED [ChEBI] synonym: "ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitor" RELATED [ChEBI] synonym: "ribosyldihydronicotinamide dehydrogenase (quinone) (EC 1.10.99.2) inhibitors" RELATED [ChEBI] xref: Wikipedia:Ribosyldihydronicotinamide_dehydrogenase_(quinone) is_a: CHEBI:77019 ! EC 1.10.99.* (oxidoreductases acting on diphenols and related substances as donors, other acceptors) inhibitor [Term] id: CHEBI:77024 name: EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor namespace: chebi_ontology def: "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of 4-nitrophenylphosphatase (EC 3.1.3.41)." [] subset: 3_STAR synonym: "4-nitrophenylphosphatase (EC 3.1.3.41) inhibitor" RELATED [ChEBI] synonym: "4-nitrophenylphosphatase (EC 3.1.3.41) inhibitors" RELATED [ChEBI] synonym: "4-nitrophenylphosphate phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "4-nitrophenylphosphate phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitors" RELATED [ChEBI] synonym: "EC 3.1.3.41 inhibitor" RELATED [ChEBI] synonym: "EC 3.1.3.41 inhibitors" RELATED [ChEBI] synonym: "Ecto-p-nitrophenyl phosphatase inhibitor" RELATED [ChEBI] synonym: "Ecto-p-nitrophenyl phosphatase inhibitors" RELATED [ChEBI] synonym: "K-pNPPase inhibitor" RELATED [ChEBI] synonym: "K-pNPPase inhibitors" RELATED [ChEBI] synonym: "nitrophenyl phosphatase inhibitor" RELATED [ChEBI] synonym: "nitrophenyl phosphatase inhibitors" RELATED [ChEBI] synonym: "NPPase inhibitor" RELATED [ChEBI] synonym: "NPPase inhibitors" RELATED [ChEBI] synonym: "p-nitrophenylphosphatase inhibitor" RELATED [ChEBI] synonym: "p-nitrophenylphosphatase inhibitors" RELATED [ChEBI] synonym: "p-nitrophenylphosphate phosphohydrolase inhibitor" RELATED [ChEBI] synonym: "p-nitrophenylphosphate phosphohydrolase inhibitors" RELATED [ChEBI] synonym: "para-nitrophenyl phosphatase inhibitor" RELATED [ChEBI] synonym: "para-nitrophenyl phosphatase inhibitors" RELATED [ChEBI] synonym: "PNPPase inhibitor" RELATED [ChEBI] synonym: "PNPPase inhibitors" RELATED [ChEBI] synonym: "xK-pNPPase inhibitors" RELATED [ChEBI] xref: Wikipedia:4-nitrophenylphosphatase is_a: CHEBI:76775 ! EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor [Term] id: CHEBI:77035 name: expectorant namespace: chebi_ontology def: "Compounds that are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing. Compare with mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration, and antitussives, which suppress the cough reflex." [] subset: 3_STAR synonym: "expectorants" RELATED [ChEBI] xref: PMID:17594730 {source="Europe PMC"} is_a: CHEBI:23888 ! drug [Term] id: CHEBI:77047 name: tylosin(1+) namespace: chebi_ontology def: "An organic cation that is the conjugate acid of tylosin, obtained by protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylazaniumyl)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "tylosin" RELATED [UniProt] is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:17658 ! tylosin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C46H78NO17" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/p+1/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBPYTXDJUQJLPQ-VMXQISHHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "917.10750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "916.52643" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\\C=C\\C(\\C)=C\\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC" xsd:string [Term] id: CHEBI:77090 name: EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of serine-sulfate ammonia-lyase (EC 4.3.1.10)." [] subset: 3_STAR synonym: "(L-SOS)lyase inhibitor" RELATED [ChEBI] synonym: "(L-SOS)lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.10 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.10 inhibitors" RELATED [ChEBI] synonym: "L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitor" RELATED [ChEBI] synonym: "L-serine-O-sulfate ammonia-lyase (pyruvate-forming) inhibitors" RELATED [ChEBI] synonym: "serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitor" RELATED [ChEBI] synonym: "serine-sulfate ammonia-lyase (EC 4.3.1.10) inhibitors" RELATED [ChEBI] synonym: "serine-sulfate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "serine-sulfate ammonia-lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Serine-sulfate_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77102 name: EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor that interferes with the action of any such enzyme using a quinone or related compound as acceptor (EC 1.3.5.*)." [] subset: 3_STAR synonym: "EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.5.* inhibitor" RELATED [ChEBI] synonym: "EC 1.3.5.* inhibitors" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor" RELATED [ChEBI] synonym: "inhibitor of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*)" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor" RELATED [ChEBI] synonym: "inhibitors of oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*)" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitor" RELATED [ChEBI] synonym: "oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor (EC 1.3.5.*) inhibitors" RELATED [ChEBI] is_a: CHEBI:76729 ! EC 1.3.* (oxidoreductase acting on donor CH-CH group) inhibitor [Term] id: CHEBI:77111 name: EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor namespace: chebi_ontology def: "An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of 3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116)." [] subset: 3_STAR synonym: "3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitor" RELATED [ChEBI] synonym: "3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase (EC 2.1.1.116) inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitors" RELATED [ChEBI] synonym: "EC 2.1.1.116 inhibitor" RELATED [ChEBI] synonym: "EC 2.1.1.116 inhibitors" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitor" RELATED [ChEBI] synonym: "S-adenosyl-L-methionine:3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase inhibitors" RELATED [ChEBI] xref: Wikipedia:3'-hydroxy-N-methyl-(S)-coclaurine_4'-O-methyltransferase is_a: CHEBI:76871 ! EC 2.1.1.* (methyltransferases) inhibitor [Term] id: CHEBI:77119 name: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189)." [] subset: 3_STAR synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "9-keto-prostaglandin E2 reductase inhibitor" RELATED [ChEBI] synonym: "9-keto-prostaglandin E2 reductase inhibitors" RELATED [ChEBI] synonym: "9-ketoprostaglandin reductase inhibitor" RELATED [ChEBI] synonym: "9-ketoprostaglandin reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.189 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.189 inhibitors" RELATED [ChEBI] synonym: "PGE-9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "PGE-9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2 9-oxoreductase inhibitor" RELATED [ChEBI] synonym: "PGE2 9-oxoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2-9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "PGE2-9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "PGE2-9-OR inhibitor" RELATED [ChEBI] synonym: "PGE2-9-OR inhibitors" RELATED [ChEBI] synonym: "prostaglandin 9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin 9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin E 9-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin E 9-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin E2-9-oxoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin E2-9-oxoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor" RELATED [ChEBI] synonym: "prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-9-oxoprostaglandin inhibitor" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-9-oxoprostaglandin inhibitors" RELATED [ChEBI] xref: Wikipedia:Prostaglandin-E2_9-reductase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:77166 name: 3-oxo-Delta(1),Delta(4)-steroid namespace: chebi_ontology def: "A 3-oxo-Delta(1) steroid containing an additional double bond between positions 4 and 5." [] subset: 3_STAR synonym: "3-oxo Delta(1),Delta(4)-steroid" RELATED [ChEBI] synonym: "3-oxo Delta(1),Delta(4)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(1),Delta(4)-steroids" RELATED [ChEBI] synonym: "3-oxo-Delta(1,4)-steroid" RELATED [ChEBI] synonym: "3-oxo-Delta(1,4)-steroids" RELATED [ChEBI] synonym: "a 3-oxo-Delta(1,4)-steroid" RELATED [UniProt] is_a: CHEBI:20156 ! 3-oxo-Delta(1) steroid is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H25OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "269.402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "269.19054" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12(C=CC(C=C1CCC3C2CCC4(C3CCC4*)C)=O)C" xsd:string [Term] id: CHEBI:77178 name: histological dye namespace: chebi_ontology def: "A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm." [] subset: 3_STAR synonym: "biological stain" RELATED [ChEBI] synonym: "biological stains" RELATED [ChEBI] synonym: "histological dyes" RELATED [ChEBI] synonym: "histological stain" RELATED [ChEBI] synonym: "histological stains" RELATED [ChEBI] xref: PMID:21756020 {source="Europe PMC"} xref: PMID:21838612 {source="Europe PMC"} xref: PMID:23901948 {source="Europe PMC"} is_a: CHEBI:37958 ! dye [Term] id: CHEBI:77182 name: food colouring namespace: chebi_ontology def: "A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199)." [] subset: 3_STAR synonym: "food coloring" RELATED [ChEBI] synonym: "food colorings" RELATED [ChEBI] synonym: "food colourings" RELATED [ChEBI] xref: Wikipedia:Food_coloring is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77194 name: EC 2.7.1.33 (pantothenate kinase) inhibitor namespace: chebi_ontology def: "An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33)." [] subset: 3_STAR synonym: "ATP:(R)-pantothenate 4'-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "ATP:(R)-pantothenate 4'-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "ATP:pantothenate 4'-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "ATP:pantothenate 4'-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "D-pantothenate kinase inhibitor" RELATED [ChEBI] synonym: "D-pantothenate kinase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.33 (pantothenate kinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.33 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.33 inhibitors" RELATED [ChEBI] synonym: "pantothenate kinase (EC 2.7.1.33) inhibitor" RELATED [ChEBI] synonym: "pantothenate kinase (EC 2.7.1.33) inhibitors" RELATED [ChEBI] synonym: "pantothenate kinase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "pantothenate kinase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "pantothenic acid kinase inhibitor" RELATED [ChEBI] synonym: "pantothenic acid kinase inhibitors" RELATED [ChEBI] xref: Wikipedia:Pantothenate_kinase is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] id: CHEBI:77255 name: EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor namespace: chebi_ontology def: "An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of anthrax lethal factor endopeptidase (EC 3.4.24.83)." [] subset: 3_STAR synonym: "anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitor" RELATED [ChEBI] synonym: "anthrax lethal factor endopeptidase (EC 3.4.24.83) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.83 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.24.83 inhibitors" RELATED [ChEBI] synonym: "lethal toxin inhibitor" RELATED [ChEBI] synonym: "lethal toxin inhibitors" RELATED [ChEBI] xref: Wikipedia:Anthrax_lethal_factor_endopeptidase is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor [Term] id: CHEBI:77278 name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole namespace: chebi_ontology def: "An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group." [] subset: 3_STAR synonym: "6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-1579 is_a: CHEBI:48909 ! imidazothiazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HLFSDGLLUJUHTE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.29100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.07212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN2CC(N=C2S1)c1ccccc1" xsd:string [Term] id: CHEBI:77282 name: dexamisole namespace: chebi_ontology def: "A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has R configuration." [] subset: 3_STAR synonym: "(+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" RELATED [ChEBI] synonym: "(+)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole" RELATED [ChEBI] synonym: "(+)-tetramisole" RELATED [ChemIDplus] synonym: "(6R)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(+)-tetramisole" RELATED [ChemIDplus] synonym: "dexamisol" RELATED INN [WHO_MedNet] synonym: "dexamisole" RELATED INN [WHO_MedNet] synonym: "dexamisolum" RELATED INN [WHO_MedNet] xref: CAS:14769-74-5 {source="ChemIDplus"} xref: KEGG:D03708 xref: PMID:189006 {source="Europe PMC"} xref: PMID:22337783 {source="Europe PMC"} xref: PMID:669135 {source="Europe PMC"} xref: PMID:7454609 {source="Europe PMC"} xref: Reaxys:5267119 {source="Reaxys"} is_a: CHEBI:77278 ! 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole relationship: has_role CHEBI:35469 ! antidepressant relationship: is_enantiomer_of CHEBI:6432 ! levamisole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HLFSDGLLUJUHTE-JTQLQIEISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.29100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.07212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN2C[C@H](N=C2S1)c1ccccc1" xsd:string [Term] id: CHEBI:77307 name: cardioprotective agent namespace: chebi_ontology def: "Any protective agent that is able to prevent damage to the heart." [] subset: 3_STAR synonym: "cardioprotective agents" RELATED [ChEBI] is_a: CHEBI:50267 ! protective agent [Term] id: CHEBI:77308 name: ethylenebis(dithiocarbamate) namespace: chebi_ontology def: "A member of the class of dithiocarbamate anions resulting from the deprotonation of both of the dithiocarbamic acid moieties of ethylenebis(dithiocarbamic acid). The major species at pH 7.3." [] subset: 3_STAR synonym: "ethane-1,2-diyldicarbamodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "ethylenebis(dithiocarbamic acid)(2-)" RELATED [ChEBI] is_a: CHEBI:84292 ! dithiocarbamate anions relationship: is_conjugate_base_of CHEBI:83986 ! ethylenebis(dithiocarbamic acid) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWYFNIZYMPNGAI-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.36500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.94248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S-]C(=S)NCCNC([S-])=S" xsd:string [Term] id: CHEBI:77313 name: rosuvastatin(1-) namespace: chebi_ontology def: "A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "rosuvastatin anion" RELATED [ChEBI] is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:38545 ! rosuvastatin property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H27FN3O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPRHUIZQVSMCRT-VEUZHWNKSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "480.53000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "480.16101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\C=C\\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O" xsd:string [Term] id: CHEBI:77326 name: androstane receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates androstane receptors." [] subset: 3_STAR synonym: "androstane receptor agonists" RELATED [ChEBI] synonym: "CAR agonist" RELATED [ChEBI] synonym: "CAR agonists" RELATED [ChEBI] synonym: "constitutive androstane receptor agonist" RELATED [ChEBI] synonym: "constitutive androstane receptor agonists" RELATED [ChEBI] xref: Wikipedia:Constitutive_androstane_receptor is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:7735 name: olanzapine namespace: chebi_ontology def: "A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4." [] subset: 3_STAR synonym: "2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine" EXACT IUPAC_NAME [IUPAC] synonym: "olanzapina" RELATED INN [ChEBI] synonym: "Olanzapine" EXACT [KEGG_COMPOUND] synonym: "olanzapine" RELATED INN [ChEBI] synonym: "olanzapinum" RELATED INN [ChEBI] synonym: "Zyprexa" RELATED BRAND_NAME [DrugBank] xref: CAS:132539-06-1 {source="ChemIDplus"} xref: Drug_Central:1982 {source="DrugCentral"} xref: DrugBank:DB00334 xref: KEGG:C07322 xref: KEGG:D00454 xref: Patent:EP454436 xref: Patent:US5229382 xref: PMID:18022155 {source="Europe PMC"} xref: PMID:18504690 {source="Europe PMC"} xref: PMID:18792627 {source="Europe PMC"} xref: Reaxys:7655141 {source="Reaxys"} xref: Wikipedia:Olanzapine is_a: CHEBI:22720 ! benzodiazepine is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:46920 ! N-methylpiperazine relationship: has_role CHEBI:37956 ! histamine antagonist relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist relationship: has_role CHEBI:50919 ! antiemetic relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:65191 ! second generation antipsychotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20N4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVWDHTXUZHCGIO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.434" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.14087" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1=C(C2=C(NC3=CC=CC=C13)SC(=C2)C)N4CCN(CC4)C" xsd:string [Term] id: CHEBI:77383 name: 1,1-bis(phosphonic acid) namespace: chebi_ontology def: "Any member of the class of phosphonic acids in which a carbon atom is directly attached to two phosphonic acid groups. They are analogues of pyrophosphates (with the central oxygen atom replaced by a carbon atom) and like pyrophosphates they tend to have a strong affinity for bone, so are frequently used for their antiresorptive and hypocalcaemic properties." [] subset: 3_STAR synonym: "1,1-bis(phosphonic acid)s" RELATED [ChEBI] synonym: "1,1-diphosphonate" RELATED [ChEBI] synonym: "1,1-diphosphonates" RELATED [ChEBI] synonym: "1,1-diphosphonic acid" RELATED [ChEBI] synonym: "1,1-diphosphonic acids" RELATED [ChEBI] synonym: "bis(phosphonic acid)" RELATED [ChEBI] synonym: "bis(phosphonic acid)s" RELATED [ChEBI] synonym: "bisphosphonate" RELATED [ChEBI] synonym: "bisphosphonates" RELATED [ChEBI] synonym: "diphosphonic acid" RELATED [ChEBI] xref: Wikipedia:Bisphosphonate is_a: CHEBI:26069 ! phosphonic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O6P2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.98640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.94831" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)C([*])([*])P(O)(O)=O" xsd:string [Term] id: CHEBI:77397 name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile namespace: chebi_ontology def: "A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group." [] subset: 3_STAR synonym: "1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" EXACT IUPAC_NAME [IUPAC] xref: CAS:59729-33-8 {source="KEGG COMPOUND"} xref: KEGG:C07572 xref: KEGG:D07704 xref: LINCS:LSM-1585 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:37407 ! cyclic ether is_a: CHEBI:38831 ! 2-benzofurans is_a: CHEBI:50996 ! tertiary amino compound relationship: is_conjugate_base_of CHEBI:77408 ! 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H21FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.39190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.16379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:77402 name: EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor namespace: chebi_ontology def: "An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of trypanothione-disulfide reductase (EC 1.8.1.12)." [] subset: 3_STAR synonym: "EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.8.1.12 inhibitor" RELATED [ChEBI] synonym: "EC 1.8.1.12 inhibitors" RELATED [ChEBI] synonym: "N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitor" RELATED [ChEBI] synonym: "N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitors" RELATED [ChEBI] synonym: "NADPH2:trypanothione oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADPH2:trypanothione oxidoreductase inhibitors" RELATED [ChEBI] synonym: "NADPH:trypanothione oxidoreductase inhibitor" RELATED [ChEBI] synonym: "NADPH:trypanothione oxidoreductase inhibitors" RELATED [ChEBI] synonym: "trypanothione reductase inhibitor" RELATED [ChEBI] synonym: "trypanothione reductase inhibitors" RELATED [ChEBI] synonym: "trypanothione-disulfide reductase (EC 1.8.1.12) inhibitor" RELATED [ChEBI] synonym: "trypanothione-disulfide reductase (EC 1.8.1.12) inhibitors" RELATED [ChEBI] synonym: "trypanothione:NADP(+) oxidoreductase inhibitor" RELATED [ChEBI] synonym: "trypanothione:NADP(+) oxidoreductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Trypanothione-disulfide_reductase is_a: CHEBI:76869 ! EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:77405 name: (R)-citalopram(1+) namespace: chebi_ontology def: "A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of (R)-citalopram." [] subset: 3_STAR synonym: "3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:77408 ! 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium relationship: is_conjugate_acid_of CHEBI:36792 ! (R)-citalopram relationship: is_enantiomer_of CHEBI:77406 ! escitalopram(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H22FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-HXUWFJFHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "325.39930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.17107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:77406 name: escitalopram(1+) namespace: chebi_ontology def: "A 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of escitalopram." [] subset: 3_STAR synonym: "(S)-citalopram(1+)" RELATED [ChEBI] synonym: "3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:77408 ! 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium relationship: is_conjugate_acid_of CHEBI:36791 ! escitalopram relationship: is_enantiomer_of CHEBI:77405 ! (R)-citalopram(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H22FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-FQEVSTJZSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "325.39930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.17107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:77408 name: 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the tertiary amino group of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile." [] subset: 3_STAR synonym: "3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:77397 ! 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H22FN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSEQXVZVJXJVFP-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "325.39930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.17107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:77425 name: EC 1.1.1.188 (prostaglandin-F synthase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-F synthase (EC 1.1.1.188)." [] subset: 3_STAR synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "(5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 11-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.188 (prostaglandin-F synthase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.188 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.188 inhibitors" RELATED [ChEBI] synonym: "NADPH-dependent prostaglandin D2 11-keto reductase inhibitor" RELATED [ChEBI] synonym: "NADPH-dependent prostaglandin D2 11-keto reductase inhibitors" RELATED [ChEBI] synonym: "PGD2 11-ketoreductase inhibitor" RELATED [ChEBI] synonym: "PGD2 11-ketoreductase inhibitors" RELATED [ChEBI] synonym: "PGF synthetase inhibitor" RELATED [ChEBI] synonym: "PGF synthetase inhibitors" RELATED [ChEBI] synonym: "PGF2alpha synthetase inhibitor" RELATED [ChEBI] synonym: "PGF2alpha synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin 11-keto reductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin 11-keto reductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin 11-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin 11-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin D2-ketoreductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin D2-ketoreductase inhibitors" RELATED [ChEBI] synonym: "prostaglandin F synthase inhibitor" RELATED [ChEBI] synonym: "prostaglandin F synthase inhibitors" RELATED [ChEBI] synonym: "prostaglandin F synthetase inhibitor" RELATED [ChEBI] synonym: "prostaglandin F synthetase inhibitors" RELATED [ChEBI] synonym: "prostaglandin-D2 11-reductase inhibitor" RELATED [ChEBI] synonym: "prostaglandin-D2 11-reductase inhibitors" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-11-oxoprostaglandin inhibitor" RELATED [ChEBI] synonym: "reductase, 15-hydroxy-11-oxoprostaglandin inhibitors" RELATED [ChEBI] synonym: "synthetase, prostaglandin F2alpha inhibitor" RELATED [ChEBI] synonym: "synthetase, prostaglandin F2alpha inhibitors" RELATED [ChEBI] xref: Wikipedia:Prostaglandin-F_synthase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:77450 name: dicarboxylic acid monoamide(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3." [] subset: 3_STAR synonym: "a monoamide of a dicarboxylate" RELATED [UniProt] xref: MetaCyc:DICARBOXYLIC-ACID-MONOAMIDES is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35735 ! dicarboxylic acid monoamide property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2NO3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.00347" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)[*]C([O-])=O" xsd:string [Term] id: CHEBI:77484 name: EC 1.1.1.25 (shikimate dehydrogenase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25)." [] subset: 3_STAR synonym: "5-dehydroshikimate reductase inhibitor" RELATED [ChEBI] synonym: "5-dehydroshikimate reductase inhibitors" RELATED [ChEBI] synonym: "5-dehydroshikimic reductase inhibitor" RELATED [ChEBI] synonym: "5-dehydroshikimic reductase inhibitors" RELATED [ChEBI] synonym: "AroE inhibitor" RELATED [ChEBI] synonym: "AroE inhibitors" RELATED [ChEBI] synonym: "dehydroshikimic reductase inhibitor" RELATED [ChEBI] synonym: "dehydroshikimic reductase inhibitors" RELATED [ChEBI] synonym: "DHS reductase inhibitor" RELATED [ChEBI] synonym: "DHS reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.25 (shikimate dehydrogenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.25 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.25 inhibitors" RELATED [ChEBI] synonym: "shikimate 5-dehydrogenase inhibitor" RELATED [ChEBI] synonym: "shikimate 5-dehydrogenase inhibitors" RELATED [ChEBI] synonym: "shikimate dehydrogenase (EC 1.1.1.25) inhibitor" RELATED [ChEBI] synonym: "shikimate dehydrogenase (EC 1.1.1.25) inhibitors" RELATED [ChEBI] synonym: "shikimate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "shikimate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "shikimate oxidoreductase inhibitor" RELATED [ChEBI] synonym: "shikimate oxidoreductase inhibitors" RELATED [ChEBI] synonym: "shikimate:NADP(+) 3-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "shikimate:NADP(+) 3-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "shikimate:NADP(+) 5-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "shikimate:NADP(+) 5-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "shikimate:NADP(+) oxidoreductase inhibitor" RELATED [ChEBI] synonym: "shikimate:NADP(+) oxidoreductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Shikimate_dehydrogenase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:77517 name: 3-methyl-2-butanol namespace: chebi_ontology def: "A secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3." [] subset: 3_STAR synonym: "(+/-)-3-Methyl-2-butanol" RELATED [NIST_Chemistry_WebBook] synonym: "(CH3)2CHCH(OH)CH3" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dimethyl-1-propanol" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-Dimethylpropanol" RELATED [ChemIDplus] synonym: "2-Methyl-3-butanol" RELATED [ChemIDplus] synonym: "3-methylbutan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "DL-3-Methyl-2-butanol" RELATED [HMDB] synonym: "Isopropylmethylcarbinol" RELATED [ChemIDplus] synonym: "Methylisopropylcarbinol" RELATED [ChemIDplus] synonym: "sec-Isoamyl alcohol" RELATED [ChemIDplus] xref: CAS:598-75-4 {source="NIST Chemistry WebBook"} xref: CAS:598-75-4 {source="ChemIDplus"} xref: HMDB:HMDB0033777 xref: PMID:16833644 {source="Europe PMC"} xref: PMID:22752178 {source="Europe PMC"} xref: Reaxys:1718800 {source="Reaxys"} xref: Wikipedia:3-Methyl-2-butanol is_a: CHEBI:35681 ! secondary alcohol relationship: has_parent_hydride CHEBI:30362 ! isopentane relationship: has_role CHEBI:48354 ! polar solvent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MXLMTQWGSQIYOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.14820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(C)O" xsd:string [Term] id: CHEBI:77521 name: thermal degradation product namespace: chebi_ontology def: "Any product obtained as a result of thermally induced non-enzymatic degradation." [] subset: 3_STAR synonym: "thermal artefact" RELATED [ChEBI] synonym: "thermal artefacts" RELATED [ChEBI] synonym: "thermal degradation products" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role [Term] id: CHEBI:77523 name: Maillard reaction product namespace: chebi_ontology def: "Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products)." [] subset: 3_STAR synonym: "Maillard product" RELATED [ChEBI] synonym: "Maillard products" RELATED [ChEBI] synonym: "maillard reaction products" RELATED [ChEBI] xref: PMID:23588491 {source="Europe PMC"} xref: PMID:23612540 {source="Europe PMC"} xref: PMID:24246231 {source="Europe PMC"} xref: Wikipedia:Maillard_reaction is_a: CHEBI:77521 ! thermal degradation product [Term] id: CHEBI:77589 name: monoacyl-sn-glycerol 3-phosphate(2-) namespace: chebi_ontology def: "An sn-glycerol 3-phosphate(2-) resulting from partial hydrolysis of a phosphatidate, which removes one of the fatty acid groups." [] subset: 3_STAR synonym: "monoacyl-sn-glycero-3-phosphate" RELATED [UniProt] is_a: CHEBI:76530 ! sn-glycero-3-monophosphate(2-) relationship: is_conjugate_base_of CHEBI:17088 ! monoacyl-sn-glycerol 3-phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.98237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OC[C@@H](CO[*])O[*]" xsd:string [Term] id: CHEBI:77608 name: loop diuretic namespace: chebi_ontology def: "A diuretic that acts on the ascending loop of Henle in the kidney." [] subset: 3_STAR synonym: "loop diuretics" RELATED [ChEBI] xref: Wikipedia:Loop_diuretic is_a: CHEBI:35498 ! diuretic [Term] id: CHEBI:77654 name: EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor namespace: chebi_ontology def: "An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of 1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267)." [] subset: 3_STAR synonym: "1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitor" RELATED [ChEBI] synonym: "1-deoxy-D-xylulose-5-phosphate isomeroreductase inhibitors" RELATED [ChEBI] synonym: "1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitor" RELATED [ChEBI] synonym: "1-deoxy-D-xylulose-5-phosphate reductoisomerase (EC 1.1.1.267) inhibitors" RELATED [ChEBI] synonym: "1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitor" RELATED [ChEBI] synonym: "1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors" RELATED [ChEBI] synonym: "1-deoxyxylulose-5-phosphate reductoisomerase inhibitor" RELATED [ChEBI] synonym: "1-deoxyxylulose-5-phosphate reductoisomerase inhibitors" RELATED [ChEBI] synonym: "2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitor" RELATED [ChEBI] synonym: "2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerising) inhibitors" RELATED [ChEBI] synonym: "2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitor" RELATED [ChEBI] synonym: "2-C-methyl-D-erythritol-4-phosphate:NADP(+) oxidoreductase (isomerizing) inhibitors" RELATED [ChEBI] synonym: "2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitor" RELATED [ChEBI] synonym: "2C-methyl-D-erythritol-4-phosphate (MEP) synthase inhibitors" RELATED [ChEBI] synonym: "DXP-reductoisomerase inhibitor" RELATED [ChEBI] synonym: "DXP-reductoisomerase inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitors" RELATED [ChEBI] synonym: "EC 1.1.1.267 inhibitor" RELATED [ChEBI] synonym: "EC 1.1.1.267 inhibitors" RELATED [ChEBI] xref: Wikipedia:DXP_reductoisomerase is_a: CHEBI:76835 ! EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor [Term] id: CHEBI:77699 name: methyl formate namespace: chebi_ontology def: "A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops." [] subset: 3_STAR synonym: "formiate de methyle" RELATED [ChemIDplus] synonym: "formic acid methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "HCO2CH3" RELATED [ChEBI] synonym: "HCOOCH3" RELATED [NIST_Chemistry_WebBook] synonym: "methanoic acid methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "methyl formate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl formate" EXACT [UniProt] synonym: "methyl methanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Methylformiat" RELATED [ChemIDplus] synonym: "R-611" RELATED [ChEBI] xref: CAS:107-31-3 {source="NIST Chemistry WebBook"} xref: CAS:107-31-3 {source="ChemIDplus"} xref: PMID:21969072 {source="Europe PMC"} xref: PMID:23268565 {source="Europe PMC"} xref: Reaxys:1734623 {source="Reaxys"} is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:52343 ! formate ester relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:39276 ! fumigant relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:78433 ! refrigerant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TZIHFWKZFHZASV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC=O" xsd:string [Term] id: CHEBI:77700 name: methyl acetate namespace: chebi_ontology def: "An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils." [] subset: 3_STAR synonym: "acetate de methyle" RELATED [ChemIDplus] synonym: "acetic acid methyl ester" RELATED [ChemIDplus] synonym: "AcOMe" RELATED [ChEBI] synonym: "CH3CO2CH3" RELATED [ChEBI] synonym: "CH3COOCH3" RELATED [ChEBI] synonym: "Devoton" RELATED [KEGG_COMPOUND] synonym: "MeOAc" RELATED [ChEBI] synonym: "methyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl acetate" EXACT [UniProt] synonym: "methyl ethanoate" RELATED [NIST_Chemistry_WebBook] synonym: "Methylacetat" RELATED [ChemIDplus] synonym: "Tereton" RELATED [KEGG_COMPOUND] xref: CAS:79-20-9 {source="NIST Chemistry WebBook"} xref: CAS:79-20-9 {source="ChemIDplus"} xref: CAS:79-20-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031523 xref: KEGG:C17530 xref: MetaCyc:METHYL-ACETATE xref: PMID:1323358 {source="Europe PMC"} xref: PMID:14168434 {source="Europe PMC"} xref: PMID:22869894 {source="Europe PMC"} xref: PMID:23340101 {source="Europe PMC"} xref: PMID:23602747 {source="Europe PMC"} xref: PMID:23862653 {source="Europe PMC"} xref: Reaxys:1736662 {source="Reaxys"} xref: Wikipedia:Methyl_acetate is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:47622 ! acetate ester relationship: has_role CHEBI:48318 ! fragrance relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:77706 ! EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXKVLQRXCPHEJC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(C)=O" xsd:string [Term] id: CHEBI:77701 name: nitromethane namespace: chebi_ontology def: "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models." [] subset: 3_STAR synonym: "CH3NO2" RELATED [ChEBI] synonym: "MeNO2" RELATED [ChEBI] synonym: "nitromethane" EXACT IUPAC_NAME [IUPAC] xref: CAS:75-52-5 {source="ChemIDplus"} xref: CAS:75-52-5 {source="NIST Chemistry WebBook"} xref: CAS:75-52-5 {source="KEGG COMPOUND"} xref: KEGG:C19275 xref: MetaCyc:CPD-8133 xref: PMID:11100413 {source="Europe PMC"} xref: PMID:21860501 {source="Europe PMC"} xref: PMID:26735907 {source="Europe PMC"} xref: PMID:26800205 {source="Europe PMC"} xref: PMID:4207867 {source="Europe PMC"} xref: PMID:999282 {source="Europe PMC"} xref: Reaxys:1698205 {source="Reaxys"} xref: Wikipedia:Nitromethane is_a: CHEBI:133972 ! primary nitroalkane is_a: CHEBI:134179 ! volatile organic compound relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:63490 ! explosive relationship: has_role CHEBI:77703 ! EC 4.3.1.3 (histidine ammonia-lyase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYGJENNIWJXYER-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+]([O-])=O" xsd:string [Term] id: CHEBI:77703 name: EC 4.3.1.3 (histidine ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3)." [] subset: 3_STAR synonym: "EC 4.3.1.3 (histidine ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.3 inhibitors" RELATED [ChEBI] synonym: "histidase inhibitor" RELATED [ChEBI] synonym: "histidase inhibitors" RELATED [ChEBI] synonym: "histidinase inhibitor" RELATED [ChEBI] synonym: "histidinase inhibitors" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitor" RELATED [ChEBI] synonym: "histidine alpha-deaminase inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase (EC 4.3.1.3) inhibitors" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "histidine ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase (urocanate-forming) inhibitors" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "L-histidine ammonia-lyase inhibitors" RELATED [ChEBI] xref: Wikipedia:Histidine_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77705 name: EC 3.4.19.* (omega-peptidase) inhibitor namespace: chebi_ontology def: "Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that interferes with the action of any omega-peptidase (EC 3.4.19.*)." [] subset: 3_STAR synonym: "EC 3.4.19.* (omega-peptidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.19.* inhibitor" RELATED [ChEBI] synonym: "EC 3.4.19.* inhibitors" RELATED [ChEBI] synonym: "omega-peptidase (EC 3.4.19.*) inhibitor" RELATED [ChEBI] synonym: "omega-peptidase (EC 3.4.19.*) inhibitors" RELATED [ChEBI] synonym: "omega-peptidase inhibitor" RELATED [ChEBI] synonym: "omega-peptidase inhibitors" RELATED [ChEBI] is_a: CHEBI:60258 ! EC 3.4.* (hydrolases acting on peptide bond) inhibitor [Term] id: CHEBI:77706 name: EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor namespace: chebi_ontology def: "An EC 3.4.19.* (omega-peptidase) inhibitor that interferes with the action of pyroglutamyl-peptidase I (EC 3.4.19.3)." [] subset: 3_STAR synonym: "5-oxoprolyl-peptidase inhibitors" RELATED [ChEBI] synonym: "EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.19.3 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.19.3 inhibitors" RELATED [ChEBI] synonym: "L-pyroglutamyl peptide hydrolase inhibitor" RELATED [ChEBI] synonym: "L-pyroglutamyl peptide hydrolase inhibitors" RELATED [ChEBI] synonym: "L-pyrrolidonecarboxylate peptidase inhibitor" RELATED [ChEBI] synonym: "L-pyrrolidonecarboxylate peptidase inhibitors" RELATED [ChEBI] synonym: "pyrase inhibitor" RELATED [ChEBI] synonym: "pyrase inhibitors" RELATED [ChEBI] synonym: "pyroglutamate aminopeptidase inhibitor" RELATED [ChEBI] synonym: "pyroglutamate aminopeptidase inhibitors" RELATED [ChEBI] synonym: "pyroglutamidase inhibitor" RELATED [ChEBI] synonym: "pyroglutamidase inhibitors" RELATED [ChEBI] synonym: "pyroglutamyl aminopeptidase inhibitor" RELATED [ChEBI] synonym: "pyroglutamyl aminopeptidase inhibitors" RELATED [ChEBI] synonym: "pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitor" RELATED [ChEBI] synonym: "pyroglutamyl-peptidase I (EC 3.4.19.3) inhibitors" RELATED [ChEBI] synonym: "pyroglutamyl-peptidase I inhibitor" RELATED [ChEBI] synonym: "pyroglutamyl-peptidase I inhibitors" RELATED [ChEBI] synonym: "pyrrolidone-carboxyl peptidase inhibitor" RELATED [ChEBI] synonym: "pyrrolidone-carboxyl peptidase inhibitors" RELATED [ChEBI] synonym: "pyrrolidonecarboxylyl peptidase inhibitor" RELATED [ChEBI] synonym: "pyrrolidonecarboxylyl peptidase inhibitors" RELATED [ChEBI] synonym: "pyrrolidonyl peptidase inhibitor" RELATED [ChEBI] synonym: "pyrrolidonyl peptidase inhibitors5-oxoprolyl-peptidase inhibitor" RELATED [ChEBI] xref: Wikipedia:Pyroglutamyl-peptidase_I is_a: CHEBI:77705 ! EC 3.4.19.* (omega-peptidase) inhibitor [Term] id: CHEBI:77715 name: nasal decongestant namespace: chebi_ontology def: "A drug used to relieve nasal congestion in the upper respiratory tract." [] subset: 3_STAR synonym: "decongestant" RELATED [ChEBI] synonym: "decongestants" RELATED [ChEBI] synonym: "nasal decongestants" RELATED [ChEBI] xref: Wikipedia:Decongestant is_a: CHEBI:23888 ! drug [Term] id: CHEBI:77733 name: 2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile namespace: chebi_ontology def: "A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group." [] subset: 3_STAR synonym: "2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" EXACT IUPAC_NAME [IUPAC] xref: CAS:52-53-9 {source="KEGG COMPOUND"} xref: KEGG:C07188 xref: KEGG:D02356 xref: LINCS:LSM-1298 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:46774 ! polyether is_a: CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H38N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGTNSNPWRIOYBX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.60160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.28316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC" xsd:string [Term] id: CHEBI:77734 name: dexverapamil namespace: chebi_ontology def: "A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil." [] subset: 3_STAR synonym: "(+)-(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" RELATED [ChEBI] synonym: "(+)-(R)-5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile" RELATED [ChemIDplus] synonym: "(+)-(R)-verapamil" RELATED [ChEBI] synonym: "(+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" RELATED [ChEBI] synonym: "(+)-3-(3,4-dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile" RELATED [ChEBI] synonym: "(+)-verapamil" RELATED [ChEBI] synonym: "(2R)-(+)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" RELATED [ChEBI] synonym: "(2R)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(+)-verapamil" RELATED [ChEBI] synonym: "(R)-verapamil" RELATED [ChEBI] synonym: "dexverapamil" RELATED INN [WHO_MedNet] synonym: "dexverapamilo" RELATED INN [WHO_MedNet] synonym: "dexverapamilum" RELATED INN [WHO_MedNet] xref: CAS:38321-02-7 {source="ChemIDplus"} xref: PMID:7636539 {source="Europe PMC"} xref: PMID:8698736 {source="Europe PMC"} xref: PMID:8698738 {source="Europe PMC"} xref: PMID:8698739 {source="Europe PMC"} xref: PMID:8698740 {source="Europe PMC"} xref: PMID:8712693 {source="Europe PMC"} xref: Reaxys:3657914 {source="Reaxys"} is_a: CHEBI:77733 ! 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile relationship: has_role CHEBI:77748 ! EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor relationship: is_conjugate_base_of CHEBI:77737 ! dexverapamil(1+) relationship: is_enantiomer_of CHEBI:77736 ! (S)-verapamil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H38N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGTNSNPWRIOYBX-HHHXNRCGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.60160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.28316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC" xsd:string [Term] id: CHEBI:77736 name: (S)-verapamil namespace: chebi_ontology def: "A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration." [] subset: 3_STAR synonym: "(-)-(S)-verapamil" RELATED [ChEBI] synonym: "(-)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" RELATED [ChEBI] synonym: "(-)-verapamil" RELATED [ChEBI] synonym: "(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-verapamil" RELATED [ChEBI] xref: Reaxys:5314473 {source="Reaxys"} is_a: CHEBI:77733 ! 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile relationship: is_conjugate_base_of CHEBI:77738 ! (S)-verapamil(1+) relationship: is_enantiomer_of CHEBI:77734 ! dexverapamil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H38N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGTNSNPWRIOYBX-MHZLTWQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.60160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.28316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC" xsd:string [Term] id: CHEBI:77737 name: dexverapamil(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil." [] subset: 3_STAR synonym: "(4R)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-verapamil(1+)" RELATED [ChEBI] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:77734 ! dexverapamil relationship: is_enantiomer_of CHEBI:77738 ! (S)-verapamil(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H39N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGTNSNPWRIOYBX-HHHXNRCGSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "455.60900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "455.29043" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CC[NH+](C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC" xsd:string [Term] id: CHEBI:77738 name: (S)-verapamil(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil." [] subset: 3_STAR synonym: "(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-verapamil(1+)" EXACT [ChEBI] is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:77736 ! (S)-verapamil relationship: is_enantiomer_of CHEBI:77737 ! dexverapamil(1+) [Term] id: CHEBI:77745 name: EC 3.4.24.18 (meprin A) inhibitor namespace: chebi_ontology def: "An EC 3.4.24.* (metalloendopeptidase) inhibitor that inhibits the action of meprin A (EC 3.4.24.18)." [] subset: 3_STAR synonym: "EC 3.4.24.18 (meprin A) inhibitors" RELATED [ChEBI] synonym: "EC 3.4.24.18 inhibitor" RELATED [ChEBI] synonym: "EC 3.4.24.18 inhibitors" RELATED [ChEBI] synonym: "endopeptidase-2 inhibitor" RELATED [ChEBI] synonym: "endopeptidase-2 inhibitors" RELATED [ChEBI] synonym: "meprin A (EC 3.4.24.18) inhibitor" RELATED [ChEBI] synonym: "meprin A (EC 3.4.24.18) inhibitors" RELATED [ChEBI] synonym: "meprin A inhibitor" RELATED [ChEBI] synonym: "meprin A inhibitors" RELATED [ChEBI] synonym: "meprin inhibitor" RELATED [ChEBI] synonym: "meprin inhibitors" RELATED [ChEBI] synonym: "meprin-a inhibitor" RELATED [ChEBI] synonym: "meprin-a inhibitors" RELATED [ChEBI] synonym: "N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitor" RELATED [ChEBI] synonym: "N-benzoyl-L-tyrosyl-p-aminobenzoic acid hydrolase inhibitors" RELATED [ChEBI] synonym: "PABA-peptide hydrolase inhibitor" RELATED [ChEBI] synonym: "PABA-peptide hydrolase inhibitors" RELATED [ChEBI] synonym: "PPH inhibitor" RELATED [ChEBI] synonym: "PPH inhibitors" RELATED [ChEBI] xref: Wikipedia:Meprin_A is_a: CHEBI:59107 ! EC 3.4.24.* (metalloendopeptidase) inhibitor [Term] id: CHEBI:77746 name: human metabolite namespace: chebi_ontology alt_id: CHEBI:75770 alt_id: CHEBI:77123 def: "Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens)." [] subset: 3_STAR synonym: "H. sapiens metabolite" RELATED [ChEBI] synonym: "H. sapiens metabolites" RELATED [ChEBI] synonym: "Homo sapiens metabolite" RELATED [ChEBI] synonym: "Homo sapiens metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:77747 name: EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitor namespace: chebi_ontology def: "An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of phospholipid-translocating ATPase (EC 3.6.3.1)." [] subset: 3_STAR synonym: "aminophospholipid-transporting ATPase inhibitor" RELATED [ChEBI] synonym: "aminophospholipid-transporting ATPase inhibitors" RELATED [ChEBI] synonym: "ATP phosphohydrolase (phospholipid-flipping) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (phospholipid-flipping) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 3.6.3.1 inhibitors" RELATED [ChEBI] synonym: "flippase inhibitor" RELATED [ChEBI] synonym: "flippase inhibitors" RELATED [ChEBI] synonym: "magnesium-ATPase inhibitor" RELATED [ChEBI] synonym: "magnesium-ATPase inhibitors" RELATED [ChEBI] synonym: "Mg(2)(+)-ATPase inhibitor" RELATED [ChEBI] synonym: "Mg(2)(+)-ATPase inhibitors" RELATED [ChEBI] synonym: "phospholipid-translocating ATPase (EC 3.6.3.1) inhibitor" RELATED [ChEBI] synonym: "phospholipid-translocating ATPase (EC 3.6.3.1) inhibitors" RELATED [ChEBI] synonym: "phospholipid-translocating ATPase inhibitor" RELATED [ChEBI] synonym: "phospholipid-translocating ATPase inhibitors" RELATED [ChEBI] synonym: "phospholipid-transporting ATPase inhibitor" RELATED [ChEBI] synonym: "phospholipid-transporting ATPase inhibitors" RELATED [ChEBI] xref: Wikipedia:Phospholipid-translocating_ATPase is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor [Term] id: CHEBI:77748 name: EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor namespace: chebi_ontology def: "An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of xenobiotic-transporting ATPase (EC 3.6.3.44)." [] subset: 3_STAR synonym: "ATP phosphohydrolase (steroid-exporting) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (steroid-exporting) inhibitors" RELATED [ChEBI] synonym: "ATP phosphohydrolase (xenobiotic-exporting) inhibitor" RELATED [ChEBI] synonym: "ATP phosphohydrolase (xenobiotic-exporting) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitors" RELATED [ChEBI] synonym: "EC 3.6.3.44 inhibitor" RELATED [ChEBI] synonym: "EC 3.6.3.44 inhibitors" RELATED [ChEBI] synonym: "MDR protein inhibitor" RELATED [ChEBI] synonym: "MDR protein inhibitors" RELATED [ChEBI] synonym: "multidrug-resistance protein inhibitor" RELATED [ChEBI] synonym: "multidrug-resistance protein inhibitors" RELATED [ChEBI] synonym: "P-glycoprotein inhibitor" RELATED [ChEBI] synonym: "P-glycoprotein inhibitors" RELATED [ChEBI] synonym: "PDR protein inhibitor" RELATED [ChEBI] synonym: "PDR protein inhibitors" RELATED [ChEBI] synonym: "pleiotropic-drug-resistance protein inhibitor" RELATED [ChEBI] synonym: "pleiotropic-drug-resistance protein inhibitors" RELATED [ChEBI] synonym: "steroid-transporting ATPase inhibitor" RELATED [ChEBI] synonym: "steroid-transporting ATPase inhibitors" RELATED [ChEBI] synonym: "xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitor" RELATED [ChEBI] synonym: "xenobiotic-transporting ATPase (EC 3.6.3.44) inhibitors" RELATED [ChEBI] synonym: "xenobiotic-transporting ATPase inhibitor" RELATED [ChEBI] synonym: "xenobiotic-transporting ATPase inhibitors" RELATED [ChEBI] xref: Wikipedia:Xenobiotic-transporting_ATPase is_a: CHEBI:76895 ! EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor [Term] id: CHEBI:7778 name: orbencarb namespace: chebi_ontology def: "A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom." [] subset: 3_STAR synonym: "Diethylthiocarbamic acid S-(o-chlorobenzyl) ester" RELATED [ChemIDplus] synonym: "S-(2-chlorobenzyl) diethylcarbamothioate" EXACT IUPAC_NAME [IUPAC] synonym: "S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate" RELATED [ChemIDplus] xref: CAS:34622-58-7 {source="ChemIDplus"} xref: CAS:34622-58-7 {source="KEGG COMPOUND"} xref: KEGG:C11087 xref: Patent:WO2004010784 xref: Patent:WO2009053095 xref: Pesticides:orbencarb {source="Alan Wood's Pesticides"} xref: PPDB:493 xref: Reaxys:1968914 {source="Reaxys"} is_a: CHEBI:38128 ! monothiocarbamic ester is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H16ClNOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LLLFASISUZUJEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "257.78000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.06411" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)SCc1ccccc1Cl" xsd:string [Term] id: CHEBI:77850 name: toxaphene namespace: chebi_ontology def: "A highly complex mixture of several hundred polychlorinated compounds obtained by chlorination of camphene to an overall chlorine content of 67-69% by weight and having an overall empirical formula of C10H10Cl8 (including optical isomers, it could theoretically contain over 32,000 congeners). Toxaphene was used from the mid-1940s as an agricultural insecticide (mostly in the USA, particularly on corn and soybeans). Use increased with the phasing out of DDT in the 1970s (it became the most heavily manufactured pesticide in the US) but it is now banned due to concerns about toxicity and carcinogenicity. Total production since its first use is estimated at around 500,000 tons. In the environment, most of the components of toxaphene get metabolised, but from 10 to >100 resist biodegradation, depending on the medium and the specialisation of the enzyme system. Breathing, drinking or eating high levels of toxaphene can damage the lungs, kidneys, and nervous system." [] subset: 3_STAR synonym: "Camphechlor" RELATED [KEGG_COMPOUND] synonym: "camphechlor" RELATED [ChemIDplus] synonym: "camphechlore" RELATED [ChemIDplus] synonym: "chlorinated camphene" RELATED [ChemIDplus] synonym: "chlorocamphene" RELATED [ChemIDplus] synonym: "polychlorocamphene" RELATED [ChemIDplus] synonym: "Toxaphen" RELATED [ChemIDplus] xref: CAS:8001-35-2 {source="ChemIDplus"} xref: CAS:8001-35-2 {source="KEGG COMPOUND"} xref: KEGG:C15470 xref: Patent:US2565471 xref: PMID:11254057 {source="Europe PMC"} xref: PMID:15295903 {source="Europe PMC"} xref: PMID:20221755 {source="Europe PMC"} xref: PMID:21470655 {source="Europe PMC"} xref: PMID:21863113 {source="Europe PMC"} xref: PMID:22162326 {source="Europe PMC"} xref: PMID:22366425 {source="Europe PMC"} xref: PMID:22498080 {source="Europe PMC"} xref: PMID:23859873 {source="Europe PMC"} xref: PMID:23939819 {source="Europe PMC"} xref: PMID:24056452 {source="Europe PMC"} xref: PMID:24164036 {source="Europe PMC"} xref: PMID:24274290 {source="Europe PMC"} xref: PMID:385896 {source="Europe PMC"} xref: Reaxys:8188730 {source="Reaxys"} xref: Wikipedia:Toxaphene is_a: CHEBI:60004 ! mixture relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:77853 ! persistent organic pollutant [Term] id: CHEBI:77853 name: persistent organic pollutant namespace: chebi_ontology def: "Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains." [] subset: 3_STAR synonym: "persistent organic pollutants" RELATED [ChEBI] synonym: "POP" RELATED [ChEBI] synonym: "POPs" RELATED [ChEBI] xref: Wikipedia:Persistant_organic_pollutant is_a: CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:77881 name: EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor namespace: chebi_ontology def: "An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of diaminopropionate ammonia-lyase (EC 4.3.1.15)." [] subset: 3_STAR synonym: "2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding H2O; pyruvate-forming) inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase (adding water; pyruvate-forming) inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropanoate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "2,3-diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "2,3-diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "alpha,beta-diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "alpha,beta-diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "diaminopropionatase inhibitor" RELATED [ChEBI] synonym: "diaminopropionatase inhibitors" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitor" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase (EC 4.3.1.15) inhibitors" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase inhibitor" RELATED [ChEBI] synonym: "diaminopropionate ammonia-lyase inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitors" RELATED [ChEBI] synonym: "EC 4.3.1.15 inhibitor" RELATED [ChEBI] synonym: "EC 4.3.1.15 inhibitors" RELATED [ChEBI] xref: Wikipedia:Diaminopropionate_ammonia-lyase is_a: CHEBI:76832 ! EC 4.3.1.* (ammonia-lyase) inhibitor [Term] id: CHEBI:77884 name: EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor namespace: chebi_ontology def: "An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase)." [] subset: 3_STAR synonym: "cytochrome P450 51 inhibitor" RELATED [ChEBI] synonym: "cytochrome P450 51 inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitors" RELATED [ChEBI] synonym: "EC 1.14.13.70 inhibitor" RELATED [ChEBI] synonym: "EC 1.14.13.70 inhibitors" RELATED [ChEBI] synonym: "lanosterol 14-demethylase inhibitor" RELATED [ChEBI] synonym: "lanosterol 14-demethylase inhibitors" RELATED [ChEBI] synonym: "lanosterol 14alpha-demethylase inhibitor" RELATED [ChEBI] synonym: "lanosterol 14alpha-demethylase inhibitors" RELATED [ChEBI] synonym: "obtusufoliol 14-demethylase inhibitor" RELATED [ChEBI] synonym: "obtusufoliol 14-demethylase inhibitors" RELATED [ChEBI] synonym: "sterol 14-demethylase inhibitor" RELATED [ChEBI] synonym: "sterol 14-demethylase inhibitors" RELATED [ChEBI] synonym: "sterol 14alpha-demethylase inhibitor" RELATED [ChEBI] synonym: "sterol 14alpha-demethylase inhibitors" RELATED [ChEBI] synonym: "sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitor" RELATED [ChEBI] synonym: "sterol,NADPH:oxygen oxidoreductase (14-methyl cleaving) inhibitors" RELATED [ChEBI] xref: Wikipedia:Sterol_14-demethylase is_a: CHEBI:76841 ! EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor is_a: CHEBI:83734 ! sterol demethylation inhibitor [Term] id: CHEBI:77894 name: aci-nitroethane namespace: chebi_ontology def: "An aci-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "ethylideneazinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "ethylnitronate" RELATED [UniProt] synonym: "ethylnitronate ylide" RELATED [ChEBI] is_a: CHEBI:136622 ! aci-nitro compound relationship: is_conjugate_acid_of CHEBI:55327 ! aci-nitroethane(1-) relationship: is_tautomer_of CHEBI:16268 ! nitroethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CPZLOQHKKRZRSD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C=[N+](\\O)[O-]" xsd:string [Term] id: CHEBI:77932 name: tetracycline zwitterion namespace: chebi_ontology def: "A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate" EXACT IUPAC_NAME [IUPAC] synonym: "tetracycline" RELATED [UniProt] is_a: CHEBI:144644 ! a tetracycline zwitterion is_a: CHEBI:27369 ! zwitterion relationship: has_role CHEBI:35820 ! antiprotozoal drug relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48001 ! protein synthesis inhibitor relationship: is_conjugate_acid_of CHEBI:71392 ! tetracycline(1-) relationship: is_conjugate_base_of CHEBI:27902 ! tetracycline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H24N2O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFVLGDICTFRJMM-WESIUVDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "444.43460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "444.15327" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+](C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-])C(=O)c1c(O)cccc1[C@@]3(C)O" xsd:string [Term] id: CHEBI:77941 name: EC 3.5.1.4 (amidase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4)." [] subset: 3_STAR synonym: "acylamidase inhibitor" RELATED [ChEBI] synonym: "acylamidase inhibitors" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitor" RELATED [ChEBI] synonym: "acylamide amidohydrolase inhibitors" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitor" RELATED [ChEBI] synonym: "amidase (EC 3.5.1.4) inhibitors" RELATED [ChEBI] synonym: "amidase inhibitor" RELATED [ChEBI] synonym: "amidase inhibitors" RELATED [ChEBI] synonym: "amidohydrolase inhibitor" RELATED [ChEBI] synonym: "amidohydrolase inhibitors" RELATED [ChEBI] synonym: "deaminase inhibitor" RELATED [ChEBI] synonym: "deaminase inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 (amidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.4 inhibitors" RELATED [ChEBI] synonym: "fatty acylamidase inhibitor" RELATED [ChEBI] synonym: "fatty acylamidase inhibitors" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitor" RELATED [ChEBI] synonym: "N-acetylaminohydrolase inhibitors" RELATED [ChEBI] xref: Wikipedia:Amidase is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:77960 name: food firming agent namespace: chebi_ontology def: "A food additive that is used to make or keep fruit or vegetable tissues firm and crisp. or which interacts with gelling agents such as pectin to produce or strengthen a gel." [] subset: 3_STAR synonym: "firming agent" RELATED [ChEBI] synonym: "firming agents" RELATED [ChEBI] synonym: "food firming agents" RELATED [ChEBI] xref: Wikipedia:Firming_agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77962 name: food antioxidant namespace: chebi_ontology def: "An antioxidant that used as a food additives to help guard against food deterioration." [] subset: 3_STAR synonym: "food antioxidants" RELATED [ChEBI] is_a: CHEBI:22586 ! antioxidant is_a: CHEBI:65255 ! food preservative [Term] id: CHEBI:77966 name: food stabiliser namespace: chebi_ontology def: "A food additive that is used to preserve the structure of food." [] subset: 3_STAR synonym: "food stabilisers" RELATED [ChEBI] synonym: "food stabilizer" RELATED [ChEBI] synonym: "food stabilizers" RELATED [ChEBI] synonym: "stabiliser" RELATED [ChEBI] synonym: "stabilisers" RELATED [ChEBI] synonym: "stabilizer" RELATED [ChEBI] synonym: "stabilizers" RELATED [ChEBI] xref: Wikipedia:Stabiliser_(food) is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77970 name: food thickening agent namespace: chebi_ontology def: "A food additive that is used to increase the viscosity of foodstuffs." [] subset: 3_STAR synonym: "food thickening agents" RELATED [ChEBI] synonym: "thickening agent" RELATED [ChEBI] synonym: "thickening agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:77974 name: food packaging gas namespace: chebi_ontology def: "A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container." [] subset: 3_STAR synonym: "food packaging gases" RELATED [ChEBI] xref: Wikipedia:Packaging_gas is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:7798 name: oseltamivir namespace: chebi_ontology alt_id: CHEBI:42582 def: "A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza." [] subset: 3_STAR synonym: "(-)-oseltamivir" RELATED [ChEBI] synonym: "1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-" RELATED [ChemIDplus] synonym: "Agucort" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate" RELATED [ChemIDplus] synonym: "ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "GS-4104" RELATED [ChemIDplus] synonym: "HSDB 7433" RELATED [ChemIDplus] synonym: "Oseltamivir" EXACT [KEGG_COMPOUND] synonym: "oseltamivir" RELATED INN [ChemIDplus] synonym: "oseltamivir" RELATED INN [ChEBI] synonym: "oseltamivirum" RELATED INN [ChEBI] synonym: "Tamiflu" RELATED BRAND_NAME [ChEBI] xref: Beilstein:8003908 {source="Beilstein"} xref: CAS:196618-13-0 {source="KEGG COMPOUND"} xref: CAS:196618-13-0 {source="ChemIDplus"} xref: Drug_Central:2001 {source="DrugCentral"} xref: DrugBank:DB00198 xref: HMDB:HMDB0014343 xref: KEGG:C08092 xref: KEGG:D08306 xref: Patent:US5763483 xref: PMID:11075941 {source="Europe PMC"} xref: PMID:11270942 {source="Europe PMC"} xref: PMID:11825310 {source="Europe PMC"} xref: PMID:17912363 {source="Europe PMC"} xref: PMID:18559644 {source="Europe PMC"} xref: PMID:18936828 {source="Europe PMC"} xref: PMID:19355841 {source="Europe PMC"} xref: PMID:19439487 {source="Europe PMC"} xref: PMID:19557131 {source="Europe PMC"} xref: PMID:19884755 {source="Europe PMC"} xref: Reaxys:8003908 {source="Reaxys"} xref: Wikipedia:Oseltamivir is_a: CHEBI:22160 ! acetamides is_a: CHEBI:37529 ! cyclohexenecarboxylate ester is_a: CHEBI:46668 ! amino acid ester is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:52425 ! EC 3.2.1.18 (exo-alpha-sialidase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H28N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSZGPKBBMSAYNT-RRFJBIMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.40450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.20491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1" xsd:string [Term] id: CHEBI:78003 name: food bleaching agent namespace: chebi_ontology def: "A food additive that is used for the purpose of decolourising food." [] subset: 3_STAR synonym: "food bleaching agents" RELATED [ChEBI] is_a: CHEBI:132717 ! bleaching agent is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:78016 name: food gelling agent namespace: chebi_ontology def: "A food additive that enhances the texture of a foodstuff by gel formation." [] subset: 3_STAR synonym: "food gelling agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive [Term] id: CHEBI:78017 name: food propellant namespace: chebi_ontology def: "A propellant that is used to expel foods from an aerosol container." [] subset: 3_STAR synonym: "food propellants" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive is_a: CHEBI:76414 ! propellant [Term] id: CHEBI:78049 name: octadecenoate namespace: chebi_ontology def: "A fatty acid anion containing 18 carbons and one double bond. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3." [] subset: 3_STAR is_a: CHEBI:82680 ! monounsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:25634 ! octadecenoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H33O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.4534" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.24806" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78113 name: fatty acid anion 3:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 3:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78115 name: fatty acid anion 4:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 4:0" RELATED [UniProt] is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58953 ! saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:140601 ! fatty acid 4:0 property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.09718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.04460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78116 name: fatty acid anion 6:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 6:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion is_a: CHEBI:59558 ! medium-chain fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.15034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.07590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78117 name: fatty acid anion 8:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 8:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "143.20350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.10720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78118 name: fatty acid anion 10:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 10:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "171.25670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.13850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78119 name: fatty acid anion 12:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 12:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H23O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.30982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.16980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78121 name: fatty acid anion 14:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 14:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.36298" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.20111" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78128 name: fatty acid anion 24:0 namespace: chebi_ontology def: "Any saturated fatty acid anion containing 24 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3." [] subset: 3_STAR synonym: "fatty acid 24:0" RELATED [UniProt] is_a: CHEBI:58953 ! saturated fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H47O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "367.62880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "367.35761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:78166 name: 2-lysophosphatidate(2-) namespace: chebi_ontology def: "Any monoacylglycerol 3-phosphate(2-) which has a free hydroxy group at the 2-position of the glycerol moiety." [] subset: 3_STAR synonym: "1-acylglycero-3-phosphate" RELATED [UniProt] synonym: "1-acylglycerol 3-phosphate(2-)" RELATED [SUBMITTER] is_a: CHEBI:78172 ! monoacylglycerol 3-phosphate(2-) relationship: is_conjugate_base_of CHEBI:76629 ! 2-lysophosphatidic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.98511" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(COC([*])=O)COP([O-])([O-])=O" xsd:string [Term] id: CHEBI:78172 name: monoacylglycerol 3-phosphate(2-) namespace: chebi_ontology def: "Any glycero-3-monophosphate carrying a single acyl substituent in an unspecified position (sn-1, sn-2 or sn-3)." [] subset: 3_STAR synonym: "monoacylglycero-3-phosphate" RELATED [UniProt] is_a: CHEBI:78185 ! glycero-3-monophosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.98237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OCC(CO[*])O[*]" xsd:string [Term] id: CHEBI:78185 name: glycero-3-monophosphate(2-) namespace: chebi_ontology def: "An anionic phospholipid having a phosphate group at sn-1 or sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups attached at the sn-1, sn-2, or sn-3 positions through ester, ether or vinyl linkages respectively." [] subset: 3_STAR is_a: CHEBI:62643 ! anionic phospholipid property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O6PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.98237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OCC(CO[*])O[*]" xsd:string [Term] id: CHEBI:78186 name: 1-alkyl-2-acyl-glycero-3-phosphocholine namespace: chebi_ontology def: "An alkylacylglycero-3-phosphocholine in which the alkyl and acyl groups are located at positions 1 and 2 respectively. Major species at pH 7.3." [] subset: 3_STAR synonym: "1-alkyl-2-acyl-glycero-3-phosphocholine" EXACT [UniProt] is_a: CHEBI:78189 ! alkylacylglycero-3-phosphocholine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18NO7PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.08209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCOP([O-])(=O)OCC(CO[*])OC([*])=O" xsd:string [Term] id: CHEBI:78189 name: alkylacylglycero-3-phosphocholine namespace: chebi_ontology def: "A glycerophosphocholine that is glycero-3-phosphocholine carrying one alkyl and one acyl group in unspecified positions. Major species at pH 7.3." [] subset: 3_STAR synonym: "monoalkylmonoacylglycero-3-phosphocholine" RELATED [UniProt] is_a: CHEBI:36313 ! glycerophosphocholine is_a: CHEBI:64611 ! ether lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18NO7PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.08717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCOP([O-])(=O)OCC(CO[*])O[*]" xsd:string [Term] id: CHEBI:7823 name: oxazepam namespace: chebi_ontology def: "A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5." [] subset: 3_STAR synonym: "(+-)-Oxazepam" RELATED [ChemIDplus] synonym: "(RS)-Oxazepam" RELATED [ChemIDplus] synonym: "7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "Oxazepam" EXACT [KEGG_COMPOUND] synonym: "Serax" RELATED [ChemIDplus] synonym: "Tazepam" RELATED [ChemIDplus] xref: CAS:604-75-1 {source="NIST Chemistry WebBook"} xref: CAS:604-75-1 {source="ChemIDplus"} xref: CAS:604-75-1 {source="KEGG COMPOUND"} xref: Drug_Central:2015 {source="DrugCentral"} xref: DrugBank:DB00842 xref: HMDB:HMDB0014980 xref: KEGG:C07359 xref: KEGG:D00464 xref: Patent:CN1543961 xref: PMID:17456431 {source="Europe PMC"} xref: PMID:9811432 {source="Europe PMC"} xref: Reaxys:754065 {source="Reaxys"} xref: Wikipedia:Oxazepam is_a: CHEBI:35500 ! 1,4-benzodiazepinone is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:35474 ! anxiolytic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ADIMAYPTOBDMTL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.71300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.05091" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O" xsd:string [Term] id: CHEBI:78279 name: lysophosphatidate 18:1 namespace: chebi_ontology def: "A monoacyl-sn-glycerol 3-phosphate in which the acyl group is specified as octadecenoyl and is attached at either sn-1 or sn-2 position; major species at pH 7.3." [] subset: 3_STAR synonym: "octadecenoyl-sn-glycero-3-phosphate" RELATED [UniProt] is_a: CHEBI:77589 ! monoacyl-sn-glycerol 3-phosphate(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H39O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.5039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "434.24334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])(=O)OC[C@@H](CO[*])O[*]" xsd:string [Term] id: CHEBI:78295 name: food component namespace: chebi_ontology def: "A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants." [] def: "Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants." [] subset: 3_STAR synonym: "dietary component" RELATED [ChEBI] synonym: "dietary components" RELATED [ChEBI] synonym: "food components" RELATED [ChEBI] is_a: CHEBI:52211 ! physiological role property_value: GENEPIO:0000006 "food component role" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78298 name: environmental contaminant namespace: chebi_ontology def: "Any minor or unwanted substance introduced into the environment that can have undesired effects." [] subset: 3_STAR synonym: "environmental contaminants" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78299 name: environmental food contaminant def: "Any unwanted chemical in food. The term includes agrochemicals and industrial chemicals that may contaminate foodstuffs during their production, transportation or storage." [] is_a: CHEBI:78295 ! food component is_a: CHEBI:78298 ! environmental contaminant property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78320 name: 2-hydroxypropanoic acid namespace: chebi_ontology def: "A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group." [] subset: 3_STAR synonym: "2-Hydroxypropanoic acid" EXACT [KEGG_COMPOUND] synonym: "2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "Lactic acid" RELATED [KEGG_COMPOUND] xref: CAS:50-21-5 {source="KEGG COMPOUND"} xref: KEGG:C01432 xref: KEGG:D00111 is_a: CHEBI:49302 ! 2-hydroxy monocarboxylic acid relationship: has_functional_parent CHEBI:30768 ! propionic acid relationship: has_role CHEBI:83056 ! Daphnia magna metabolite relationship: has_role CHEBI:84735 ! algal metabolite relationship: is_conjugate_acid_of CHEBI:24996 ! lactate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07790" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)C(O)=O" xsd:string [Term] id: CHEBI:78337 name: methyl isothiocyanate namespace: chebi_ontology def: "An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium." [] subset: 3_STAR synonym: "isothiocyanatomethane" EXACT IUPAC_NAME [IUPAC] synonym: "Methyl mustard" RELATED [ChemIDplus] synonym: "Methyl mustard oil" RELATED [ChemIDplus] xref: CAS:556-61-6 {source="NIST Chemistry WebBook"} xref: CAS:556-61-6 {source="ChemIDplus"} xref: CAS:556-61-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034106 xref: KEGG:C18587 xref: PMID:20521729 {source="Europe PMC"} xref: PMID:21780282 {source="Europe PMC"} xref: PMID:24216433 {source="Europe PMC"} xref: PMID:24370859 {source="Europe PMC"} xref: PMID:25144617 {source="Europe PMC"} xref: PPDB:887 xref: Reaxys:605319 {source="Reaxys"} xref: Wikipedia:Methyl_isothiocyanate is_a: CHEBI:52221 ! isothiocyanate relationship: has_role CHEBI:25491 ! nematicide relationship: has_role CHEBI:39276 ! fumigant relationship: has_role CHEBI:74136 ! lachrymator property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3NS/c1-3-2-4/h1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGDSHSYDSCRFAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.11700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.99862" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN=C=S" xsd:string [Term] id: CHEBI:78366 name: EC 2.7.1.1 (hexokinase) inhibitor namespace: chebi_ontology def: "An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of hexokinase, EC 2.7.1.1, an enzyme that phosphorylates hexoses forming hexose phosphate." [] subset: 3_STAR synonym: "ATP-dependent hexokinase inhibitor" RELATED [ChEBI] synonym: "ATP-dependent hexokinase inhibitors" RELATED [ChEBI] synonym: "ATP:D-hexose 6-phosphotransferase inhibitor" RELATED [ChEBI] synonym: "ATP:D-hexose 6-phosphotransferase inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.1 (hexokinase) inhibitors" RELATED [ChEBI] synonym: "EC 2.7.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 2.7.1.1 inhibitors" RELATED [ChEBI] synonym: "glucose ATP phosphotransferase inhibitor" RELATED [ChEBI] synonym: "glucose ATP phosphotransferase inhibitors" RELATED [ChEBI] synonym: "hexokinase (phosphorylating) inhibitor" RELATED [ChEBI] synonym: "hexokinase (phosphorylating) inhibitors" RELATED [ChEBI] synonym: "hexokinase D inhibitor" RELATED [ChEBI] synonym: "hexokinase D inhibitors" RELATED [ChEBI] synonym: "hexokinase inhibitor" RELATED [ChEBI] synonym: "hexokinase inhibitors" RELATED [ChEBI] synonym: "hexokinase type I inhibitor" RELATED [ChEBI] synonym: "hexokinase type I inhibitors" RELATED [ChEBI] synonym: "hexokinase type II inhibitor" RELATED [ChEBI] synonym: "hexokinase type II inhibitors" RELATED [ChEBI] synonym: "hexokinase type III inhibitor" RELATED [ChEBI] synonym: "hexokinase type III inhibitors" RELATED [ChEBI] synonym: "hexokinase type IV glucokinase inhibitor" RELATED [ChEBI] synonym: "hexokinase type IV glucokinase inhibitors" RELATED [ChEBI] synonym: "hexokinase type IV inhibitor" RELATED [ChEBI] synonym: "hexokinase type IV inhibitors" RELATED [ChEBI] xref: Wikipedia:Hexokinase is_a: CHEBI:50916 ! lipid kinase inhibitor is_a: CHEBI:76881 ! EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor [Term] id: CHEBI:78433 name: refrigerant namespace: chebi_ontology def: "A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a \"R\" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure." [] subset: 3_STAR synonym: "refrigerants" RELATED [ChEBI] xref: Wikipedia:Refrigerant is_a: CHEBI:33232 ! application [Term] id: CHEBI:78444 name: EC 3.1.1.1 (carboxylesterase) inhibitor namespace: chebi_ontology def: "Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 )." [] subset: 3_STAR synonym: "ali-esterase inhibitor" RELATED [ChEBI] synonym: "ali-esterase inhibitors" RELATED [ChEBI] synonym: "Alpha-carboxylesterase inhibitor" RELATED [ChEBI] synonym: "Alpha-carboxylesterase inhibitors" RELATED [ChEBI] synonym: "Beta-esterase inhibitor" RELATED [ChEBI] synonym: "Beta-esterase inhibitors" RELATED [ChEBI] synonym: "butyrate esterase inhibitor" RELATED [ChEBI] synonym: "butyrate esterase inhibitors" RELATED [ChEBI] synonym: "butyryl esterase inhibitor" RELATED [ChEBI] synonym: "butyryl esterase inhibitors" RELATED [ChEBI] synonym: "carboxyl ester hydrolase inhibitor" RELATED [ChEBI] synonym: "carboxyl ester hydrolase inhibitors" RELATED [ChEBI] synonym: "carboxylate esterase inhibitor" RELATED [ChEBI] synonym: "carboxylate esterase inhibitors" RELATED [ChEBI] synonym: "carboxylesterase inhibitor" RELATED [ChEBI] synonym: "carboxylesterase inhibitors" RELATED [ChEBI] synonym: "carboxylic acid esterase inhibitor" RELATED [ChEBI] synonym: "carboxylic acid esterase inhibitors" RELATED [ChEBI] synonym: "carboxylic esterase inhibitor" RELATED [ChEBI] synonym: "carboxylic esterase inhibitors" RELATED [ChEBI] synonym: "carboxylic-ester hydrolase inhibitor" RELATED [ChEBI] synonym: "carboxylic-ester hydrolase inhibitors" RELATED [ChEBI] synonym: "cocaine esterase inhibitor" RELATED [ChEBI] synonym: "cocaine esterase inhibitors" RELATED [ChEBI] synonym: "EC 3.1.1.1 (carboxylesterase) inhibitors" RELATED [ChEBI] synonym: "esterase A inhibitor" RELATED [ChEBI] synonym: "esterase A inhibitors" RELATED [ChEBI] synonym: "esterase B inhibitor" RELATED [ChEBI] synonym: "esterase B inhibitors" RELATED [ChEBI] synonym: "esterase D inhibitor" RELATED [ChEBI] synonym: "esterase D inhibitors" RELATED [ChEBI] synonym: "methylbutyrase inhibitor" RELATED [ChEBI] synonym: "methylbutyrase inhibitors" RELATED [ChEBI] synonym: "methylbutyrate esterase inhibitor" RELATED [ChEBI] synonym: "methylbutyrate esterase inhibitors" RELATED [ChEBI] synonym: "monobutyrase inhibitor" RELATED [ChEBI] synonym: "monobutyrase inhibitors" RELATED [ChEBI] synonym: "nonspecific carboxylesterase inhibitor" RELATED [ChEBI] synonym: "nonspecific carboxylesterase inhibitors" RELATED [ChEBI] synonym: "procaine esterase inhibitor" RELATED [ChEBI] synonym: "procaine esterase inhibitors" RELATED [ChEBI] synonym: "propionyl esterase inhibitor" RELATED [ChEBI] synonym: "propionyl esterase inhibitors" RELATED [ChEBI] synonym: "serine esterase inhibitor" RELATED [ChEBI] synonym: "serine esterase inhibitors" RELATED [ChEBI] synonym: "triacetin esterase inhibitor" RELATED [ChEBI] synonym: "triacetin esterase inhibitors" RELATED [ChEBI] synonym: "vitamin A esterase inhibitor" RELATED [ChEBI] synonym: "vitamin A esterase inhibitors" RELATED [ChEBI] is_a: CHEBI:76773 ! EC 3.1.1.* (carboxylic ester hydrolase) inhibitor [Term] id: CHEBI:78523 name: 3,7-bis(dimethylamino)phenothiazine namespace: chebi_ontology def: "A member of the class of phenothiazines that is 4aH-phenothiazine substituted by dimethylamino groups at positions 3 and 7." [] subset: 3_STAR synonym: "N,N,N',N'-tetramethyl-4aH-phenothiazine-3,7-diamine" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:8131736 {source="Reaxys"} is_a: CHEBI:38093 ! phenothiazines is_a: CHEBI:50996 ! tertiary amino compound relationship: has_parent_hydride CHEBI:37933 ! 4aH-phenothiazine relationship: is_conjugate_base_of CHEBI:43830 ! 3,7-bis(dimethylamino)phenothiazin-5-ium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H19N3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,15H,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DDCCHUHICUGJCF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "285.40700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "285.12997" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C1=CC2Sc3cc(ccc3N=C2C=C1)N(C)C" xsd:string [Term] id: CHEBI:78547 name: protein kinase A agonist namespace: chebi_ontology def: "A protein kinase agonist that selectively binds to and activates a protein kinase A receptor" [] subset: 3_STAR synonym: "protein kinase A agonists" RELATED [ChEBI] is_a: CHEBI:64106 ! protein kinase agonist [Term] id: CHEBI:78548 name: adenylate cyclase agonist namespace: chebi_ontology def: "Any agonist of one or more of the isoforms of adenylate cyclase (EC 4.6.1.1)." [] subset: 3_STAR synonym: "adenylate cyclase agonists" RELATED [ChEBI] synonym: "adenylyl cyclase agonist" RELATED [ChEBI] synonym: "adenylyl cyclase agonists" RELATED [ChEBI] is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:78592 name: vesicant namespace: chebi_ontology def: "Any compound that causes severe skin, eye and mucosal pain and irritation." [] subset: 3_STAR synonym: "blister agent" RELATED [ChEBI] synonym: "blister agents" RELATED [ChEBI] synonym: "vesicants" RELATED [ChEBI] xref: PMID:16168310 {source="Europe PMC"} xref: Wikipedia:Blister_agent is_a: CHEBI:52208 ! biophysical role [Term] id: CHEBI:78608 name: alpha-amino acid zwitterion namespace: chebi_ontology alt_id: CHEBI:83409 def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3." [] subset: 3_STAR synonym: "an alpha-amino acid" RELATED [UniProt] xref: MetaCyc:Alpha-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33704 ! alpha-amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:78616 name: carbohydrates and carbohydrate derivatives namespace: chebi_ontology def: "Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation." [] subset: 3_STAR synonym: "carbohydrates and derivatives" RELATED [ChEBI] synonym: "carbohydrates and their derivatives" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78630 name: 9-cis-retinoate namespace: chebi_ontology def: "A retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate" RELATED [SUBMITTER] synonym: "(9cis)-15-oxidoretinal" EXACT IUPAC_NAME [IUPAC] synonym: "9-cis-retinoate" EXACT [UniProt] is_a: CHEBI:15036 ! retinoate relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50176 ! keratolytic drug relationship: has_role CHEBI:63794 ! retinoid X receptor agonist relationship: is_conjugate_base_of CHEBI:50648 ! 9-cis-retinoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H27O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8-,16-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHGAZHPCJJPHSC-ZVCIMWCZSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "299.42770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "299.20165" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C(\\C=C\\C1=C(C)CCCC1(C)C)=C\\C=C\\C(\\C)=C\\C([O-])=O" xsd:string [Term] id: CHEBI:78631 name: chroman-6-ol namespace: chebi_ontology def: "A chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group." [] subset: 3_STAR synonym: "3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-dihydrobenzopyran-6-ol" RELATED [ChEBI] xref: Reaxys:1283166 {source="Reaxys"} is_a: CHEBI:23229 ! chromanol is_a: CHEBI:33853 ! phenols relationship: has_parent_hydride CHEBI:33224 ! chromane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GZCJJOLJSBCUNR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.17450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc2OCCCc2c1" xsd:string [Term] id: CHEBI:78673 name: cumene hydroperoxide namespace: chebi_ontology def: "A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group." [] subset: 3_STAR synonym: "1-Methyl-1-phenylethyl hydroperoxide" RELATED [NIST_Chemistry_WebBook] synonym: "7-Cumyl hydroperoxide" RELATED [ChemIDplus] synonym: "alpha,alpha-Dimethylbenzyl hydroperoxide" RELATED [ChemIDplus] synonym: "alpha-Cumene hydroperoxide" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Cumyl hydroperoxide" RELATED [NIST_Chemistry_WebBook] synonym: "CHP" RELATED [ChEBI] synonym: "cumene hydroperoxide" EXACT [UniProt] synonym: "Cumenyl hydroperoxide" RELATED [ChemIDplus] synonym: "Cumolhydroperoxid" RELATED [ChemIDplus] synonym: "Cumyl hydroperoxide" RELATED [ChemIDplus] synonym: "Hydroperoxyde de cumene" RELATED [ChemIDplus] synonym: "Hydroperoxyde de cumyle" RELATED [ChemIDplus] synonym: "Isopropylbenzene hydroperoxide" RELATED [NIST_Chemistry_WebBook] xref: CAS:80-15-9 {source="NIST Chemistry WebBook"} xref: CAS:80-15-9 {source="ChemIDplus"} xref: MetaCyc:CPD0-1449 xref: PMID:23357941 {source="Europe PMC"} xref: PMID:23707950 {source="Europe PMC"} xref: PMID:23767299 {source="Europe PMC"} xref: PMID:24073228 {source="Europe PMC"} xref: PMID:24492382 {source="Europe PMC"} xref: PMID:26985019 {source="Europe PMC"} xref: Reaxys:1908117 {source="Reaxys"} xref: Wikipedia:Cumene_hydroperoxide is_a: CHEBI:35924 ! peroxol relationship: has_parent_hydride CHEBI:34656 ! cumene relationship: has_role CHEBI:131604 ! Mycoplasma genitalium metabolite relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YQHLDYVWEZKEOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.19040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(OO)c1ccccc1" xsd:string [Term] id: CHEBI:78675 name: fundamental metabolite namespace: chebi_ontology def: "Any metabolite produced by all living cells." [] subset: 3_STAR synonym: "essential metabolite" RELATED [ChEBI] synonym: "essential metabolites" RELATED [ChEBI] synonym: "fundamental metabolites" RELATED [ChEBI] is_a: CHEBI:25212 ! metabolite [Term] id: CHEBI:78678 name: EC 4.6.1.2 (guanylate cyclase) inhibitor namespace: chebi_ontology def: "An EC 4.6.* (P-O lyase) inhibitor that interferes with the action of enzyme guanylate cyclase (EC 4.6.1.2)." [] subset: 3_STAR synonym: "EC 4.6.1.2 (guanylate cyclase) inhibitors" RELATED [ChEBI] synonym: "EC 4.6.1.2 inhibitor" RELATED [ChEBI] synonym: "EC 4.6.1.2 inhibitors" RELATED [ChEBI] synonym: "GTP diphosphate-lyase (cyclizing) inhibitor" RELATED [ChEBI] synonym: "GTP diphosphate-lyase (cyclizing) inhibitors" RELATED [ChEBI] synonym: "GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitor" RELATED [ChEBI] synonym: "GTP diphosphate-lyase (cyclizing; 3',5'-cyclic-GMP-forming) inhibitors" RELATED [ChEBI] synonym: "guanyl cyclase inhibitor" RELATED [ChEBI] synonym: "guanyl cyclase inhibitors" RELATED [ChEBI] synonym: "guanylyl cyclase inhibitor" RELATED [ChEBI] synonym: "guanylyl cyclase inhibitors" RELATED [ChEBI] xref: Wikipedia:Guanylate_cyclase is_a: CHEBI:76716 ! EC 4.6.* (P-O lyase) inhibitor [Term] id: CHEBI:78741 name: oxidopamine namespace: chebi_ontology def: "A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease)." [] subset: 3_STAR synonym: "2,4,5-trihydroxyphenethylamine" RELATED [ChemIDplus] synonym: "5-(2-aminoethyl)benzene-1,2,4-triol" EXACT IUPAC_NAME [IUPAC] synonym: "6-hydroxydopamine" RELATED [ChemIDplus] synonym: "6-OHDA" RELATED [ChemIDplus] synonym: "hydroxydopamine" RELATED [MetaCyc] synonym: "oxidopamina" RELATED INN [ChemIDplus] synonym: "oxidopamine" RELATED INN [ChemIDplus] synonym: "oxidopamine" RELATED INN [WHO_MedNet] synonym: "oxidopaminum" RELATED INN [ChemIDplus] synonym: "topamine" RELATED [ChEBI] xref: HMDB:HMDB0001537 xref: KEGG:D05294 xref: LINCS:LSM-37081 xref: MetaCyc:CPD-7666 xref: PMID:12486162 {source="Europe PMC"} xref: PMID:22789904 {source="Europe PMC"} xref: PMID:23358137 {source="Europe PMC"} xref: PMID:23670213 {source="Europe PMC"} xref: PMID:23959789 {source="Europe PMC"} xref: PMID:24277157 {source="Europe PMC"} xref: PMID:24333330 {source="Europe PMC"} xref: PMID:24885281 {source="Europe PMC"} xref: PMID:8255370 {source="Europe PMC"} xref: Reaxys:2211011 {source="Reaxys"} xref: Wikipedia:Oxidopamine is_a: CHEBI:22707 ! benzenetriol is_a: CHEBI:33567 ! catecholamine is_a: CHEBI:50994 ! primary amino compound relationship: has_functional_parent CHEBI:18243 ! dopamine relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIVDFFZHCJEHGG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.17780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1cc(O)c(O)cc1O" xsd:string [Term] id: CHEBI:78780 name: pyraclostrobin namespace: chebi_ontology def: "A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres." [] subset: 3_STAR synonym: "methyl [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Pyraclostrobine" RELATED [NIST_Chemistry_WebBook] xref: CAS:175013-18-0 {source="NIST Chemistry WebBook"} xref: CAS:175013-18-0 {source="ChemIDplus"} xref: CAS:175013-18-0 {source="KEGG COMPOUND"} xref: KEGG:C18561 xref: Pesticides:pyraclostrobin {source="Alan Wood's Pesticides"} xref: PMID:22730168 {source="Europe PMC"} xref: PMID:23554042 {source="Europe PMC"} xref: PMID:23793800 {source="Europe PMC"} xref: PMID:23998307 {source="Europe PMC"} xref: PMID:24144943 {source="Europe PMC"} xref: PMID:24380616 {source="Europe PMC"} xref: PMID:24533668 {source="Europe PMC"} xref: PMID:24772573 {source="Europe PMC"} xref: PMID:24908975 {source="Europe PMC"} xref: PPDB:564 xref: Reaxys:10095527 {source="Reaxys"} is_a: CHEBI:26410 ! pyrazoles is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:86485 ! methoxycarbanilate strobilurin antifungal agent is_a: CHEBI:87066 ! carbanilate fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38499 ! mitochondrial cytochrome-bc1 complex inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H18ClN3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZRSNVGNWUDEFX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "387.81700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.09858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:78787 name: dithiocarbamic acids namespace: chebi_ontology def: "Any organic acid in which both oxygens of a carbamic acid have been replaced by sulfur." [] subset: 3_STAR synonym: "dithiocarbamic acid" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:50492 ! thiocarbonyl compound is_a: CHEBI:64709 ! organic acid relationship: is_conjugate_acid_of CHEBI:84292 ! dithiocarbamate anions property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNS2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "91.158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.95504" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC(=S)N([*])[*]" xsd:string [Term] id: CHEBI:78802 name: diarylheptanoid name: diarylheptanoid namespace: chebi_ontology def: "A family of plant metabolites with a common 1,7-diphenylheptane structural skeleton, carrying various substituents. They are mainly distributed in the roots, rhizomes and bark of Alpinia, Zingiber, Curcuma and Alnus species." [] subset: 3_STAR synonym: "diarylheptanoids" RELATED [ChEBI] synonym: "diphenylheptanoid" RELATED [ChEBI] synonym: "diphenylheptanoids" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound is_a: CHEBI:33836 ! benzenoid aromatic compound is_a: CHEBI:72544 ! flavonoids relationship: has_role CHEBI:76924 ! plant metabolite property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78803 name: nematode metabolite namespace: chebi_ontology def: "An animal metabolite produced by any member of the phylum Nematoda." [] subset: 3_STAR synonym: "nematode metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:78804 name: Caenorhabditis elegans metabolite namespace: chebi_ontology def: "A nematode metabolite produced by Caenorhabditis elegans." [] subset: 3_STAR synonym: "C. elegans metabolite" RELATED [ChEBI] synonym: "C. elegans metabolites" RELATED [ChEBI] synonym: "Caenorhabditis elegans metabolites" RELATED [ChEBI] is_a: CHEBI:78803 ! nematode metabolite [Term] id: CHEBI:78840 name: olefinic compound namespace: chebi_ontology def: "Any organic molecular entity that contains at least one C=C bond." [] subset: 3_STAR synonym: "olefinic compounds" RELATED [ChEBI] is_a: CHEBI:50860 ! organic molecular entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78870 name: sodium nitrite def: "An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning." [] comment: LanguaL term definition: Food additive; technological purpose(s): colour fixative, preservative. xref: Codex:\:250 xref: Europe:\:250 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3266 is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:46648 ! nitrite salt property_value: IAO:0000118 "sodium nitrite" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:78897 name: trypan blue namespace: chebi_ontology def: "An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)." [] subset: 3_STAR synonym: "C.I. 23850" RELATED [ChEBI] synonym: "C.I. Direct Blue 14" RELATED [ChemIDplus] synonym: "C.I. Direct Blue 14, tetrasodium salt" RELATED [ChemIDplus] synonym: "direct blue 14" RELATED [ChEBI] synonym: "Niagara blue 3B" RELATED [ChEBI] synonym: "Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonate" RELATED [ChemIDplus] synonym: "Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonate" RELATED [ChemIDplus] synonym: "Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulphonate" RELATED [ChemIDplus] synonym: "tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)" EXACT IUPAC_NAME [IUPAC] xref: CAS:72-57-1 {source="ChemIDplus"} xref: CAS:72-57-1 {source="KEGG COMPOUND"} xref: KEGG:C19307 xref: PMID:23889365 {source="Europe PMC"} xref: PMID:24238944 {source="Europe PMC"} xref: PMID:24464534 {source="Europe PMC"} xref: PMID:24512297 {source="Europe PMC"} xref: PMID:24519684 {source="Europe PMC"} xref: PMID:24643390 {source="Europe PMC"} xref: PMID:24652322 {source="Europe PMC"} xref: PMID:24867494 {source="Europe PMC"} xref: PMID:25717323 {source="Europe PMC"} xref: PMID:25815522 {source="Europe PMC"} xref: PMID:25840295 {source="Europe PMC"} xref: PMID:26379749 {source="Europe PMC"} xref: PMID:26529666 {source="Europe PMC"} xref: Reaxys:4360496 {source="Reaxys"} xref: Wikipedia:Trypan_blue is_a: CHEBI:38700 ! organic sodium salt is_a: CHEBI:64382 ! organosulfonate salt relationship: has_part CHEBI:78899 ! trypan blue(4-) relationship: has_role CHEBI:50903 ! carcinogenic agent relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:77178 ! histological dye property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H24N6Na4O14S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H24N6O14S4.4Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GLNADSQYFUSGOU-GPTZEZBUSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "960.80500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "959.98241" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\\N=N\\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\\N=N\\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1" xsd:string [Term] id: CHEBI:78899 name: trypan blue(4-) namespace: chebi_ontology def: "An organosulfonate oxoanion that is the tetraanionic form of trypan blue." [] subset: 3_STAR synonym: "3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:78900 ! trypan blue sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H24N6O14S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBNARPCCDMHDDV-HVMBLDELSA-J" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "868.84800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "868.02553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(ccc1\\N=N\\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\\N=N\\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1" xsd:string [Term] id: CHEBI:78900 name: trypan blue sulfonic acid namespace: chebi_ontology def: "An aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye." [] subset: 3_STAR synonym: "3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)" EXACT IUPAC_NAME [IUPAC] synonym: "trypan blue acid" RELATED [ChEBI] synonym: "Trypan blue free acid" RELATED [ChemIDplus] xref: CAS:2538-83-2 {source="ChemIDplus"} xref: Drug_Central:4608 {source="DrugCentral"} xref: Wikipedia:Trypan_blue is_a: CHEBI:22682 ! azobenzenes is_a: CHEBI:25392 ! naphthols is_a: CHEBI:38210 ! aminonaphthalenesulfonic acid relationship: has_role CHEBI:37958 ! dye relationship: is_conjugate_acid_of CHEBI:78899 ! trypan blue(4-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H28N6O14S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBNARPCCDMHDDV-HVMBLDELSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "872.87800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "872.05463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(ccc1\\N=N\\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\\N=N\\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1" xsd:string [Term] id: CHEBI:78902 name: L-canavanine(1+) namespace: chebi_ontology def: "An alpha-amino-acid cation that is the conjugate acid of L-canavanine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-azaniumyl-4-({[ammonio(imino)methyl]amino}oxy)butanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-canavanine" RELATED [UniProt] synonym: "L-canavanine cation" RELATED [ChEBI] synonym: "L-canavaninium" RELATED [ChEBI] xref: MetaCyc:CANAVANINE is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:405237 ! L-canavanine zwitterion relationship: is_conjugate_acid_of CHEBI:609827 ! L-canavanine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H13N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSBIGDSBMBYOPN-VKHMYHEASA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "177.18120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.09822" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=[NH2+])NOCC[C@H]([NH3+])C([O-])=O" xsd:string [Term] id: CHEBI:79008 name: (R)-nicotinium(1+) namespace: chebi_ontology def: "The conjugate acid of (R)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-nicotine" RELATED [UniProt] xref: MetaCyc:R-NICOTINE {source="SUBMITTER"} xref: MetaCyc:R-NICOTINE "SUBMITTER" is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:39162 ! (R)-nicotine relationship: is_enantiomer_of CHEBI:59806 ! (S)-nicotinium(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H15N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SNICXCGAKADSCV-SNVBAGLBSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "163.23900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.12297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH+]1CCC[C@@H]1c1cccnc1" xsd:string [Term] id: CHEBI:79020 name: alpha,beta-unsaturated monocarboxylic acid namespace: chebi_ontology def: "A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond." [] subset: 3_STAR synonym: "2,3-unsaturated monocarboxylic acid" RELATED [ChEBI] synonym: "2,3-unsaturated monocarboxylic acids" RELATED [ChEBI] synonym: "alpha,beta-unsaturated monocarboxylic acids" RELATED [ChEBI] is_a: CHEBI:25384 ! monocarboxylic acid [Term] id: CHEBI:79056 name: plasticiser namespace: chebi_ontology def: "Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers." [] subset: 3_STAR synonym: "plasticisers" RELATED [ChEBI] synonym: "plasticizer" RELATED [ChEBI] synonym: "plasticizers" RELATED [ChEBI] xref: Wikipedia:Plasticizer is_a: CHEBI:33232 ! application [Term] id: CHEBI:7915 name: pantoprazole namespace: chebi_ontology def: "A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2." [] subset: 3_STAR synonym: "5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole" EXACT IUPAC_NAME [IUPAC] synonym: "pantoprazol" RELATED INN [ChemIDplus] synonym: "pantoprazole" RELATED INN [ChemIDplus] synonym: "pantoprazolum" RELATED INN [ChemIDplus] xref: Beilstein:5361474 {source="Beilstein"} xref: CAS:102625-70-7 {source="ChemIDplus"} xref: Drug_Central:2054 {source="DrugCentral"} xref: DrugBank:DB00213 xref: HMDB:HMDB0005017 xref: KEGG:C11806 xref: KEGG:D05353 xref: LINCS:LSM-1390 xref: Patent:EP166287 xref: Patent:US4758579 xref: PMID:11110229 {source="Europe PMC"} xref: PMID:11240974 {source="Europe PMC"} xref: Reaxys:5361474 {source="Reaxys"} xref: VSDB:2958 xref: Wikipedia:Pantoprazole is_a: CHEBI:22063 ! sulfoxide is_a: CHEBI:22715 ! benzimidazoles is_a: CHEBI:26421 ! pyridines is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:49200 ! EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor relationship: has_role CHEBI:49201 ! anti-ulcer drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:50358 ! pantoprazole(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H15F2N3O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQPSEEYGBUAQFF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.37093" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.07513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC" xsd:string [Term] id: CHEBI:7916 name: pantothenic acid namespace: chebi_ontology def: "A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine." [] subset: 3_STAR synonym: "3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine" RELATED [ChEBI] synonym: "Pantothenic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1727062 {source="Beilstein"} xref: CAS:599-54-2 {source="ChemIDplus"} xref: DrugBank:DB01783 xref: HMDB:HMDB0000210 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3758 xref: http://www.langual.org/langual_thesaurus.asp?termid=H0770 xref: KEGG:C00864 xref: KEGG:D07413 xref: PMID:24727172 {source="Europe PMC"} xref: Reaxys:1727062 {source="Reaxys"} xref: Wikipedia:Pantothenic_acid is_a: CHEBI:25848 ! pantothenic acids relationship: has_role CHEBI:76924 ! plant metabolite relationship: is_conjugate_acid_of CHEBI:16454 ! pantothenate property_value: hasSynonym "vitamin B5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.11067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)C(O)C(=O)NCCC(O)=O" xsd:string property_value: IAO:0000118 "pantothenic acid" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: CHEBI:79314 name: flame retardant namespace: chebi_ontology def: "Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire." [] subset: 3_STAR synonym: "flame retardants" RELATED [ChEBI] xref: Wikipedia:Flame_retardant is_a: CHEBI:33232 ! application [Term] id: CHEBI:79323 name: 4-hydroxybenzoate ester namespace: chebi_ontology def: "A benzoate ester that is an ester of 4-hydroxybenzoic acid." [] subset: 3_STAR synonym: "4-hydroxybenzoate esters" RELATED [ChEBI] synonym: "p-hydroxybenzoate ester" RELATED [ChEBI] synonym: "p-hydroxybenzoate esters" RELATED [ChEBI] is_a: CHEBI:33853 ! phenols is_a: CHEBI:36054 ! benzoate ester relationship: has_functional_parent CHEBI:30763 ! 4-hydroxybenzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.02387" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C(=O)O[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:79387 name: trivalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of three." [] subset: 3_STAR synonym: "trivalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79388 name: divalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of two." [] subset: 3_STAR synonym: "divalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79389 name: monovalent inorganic anion namespace: chebi_ontology def: "Any inorganic anion with a valency of one." [] subset: 3_STAR synonym: "monovalent inorganic anions" RELATED [ChEBI] is_a: CHEBI:24834 ! inorganic anion [Term] id: CHEBI:79516 name: Nonylphenol namespace: chebi_ontology subset: 2_STAR xref: CAS:25154-52-3 {source="KEGG COMPOUND"} xref: KEGG:C14993 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:7984 name: Pentobarbital sodium namespace: chebi_ontology subset: 2_STAR synonym: "Pentobarbital sodium" EXACT [KEGG_COMPOUND] xref: CAS:57-33-0 {source="KEGG COMPOUND"} xref: KEGG:C07423 xref: KEGG:D00500 is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17N2O3.Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGMRQYFBGABWDR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "248.254" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "248.11369" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O" xsd:string [Term] id: CHEBI:8005 name: peptidoglycan namespace: chebi_ontology def: "A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids." [] subset: 3_STAR synonym: "Mucopeptide" RELATED [KEGG_COMPOUND] synonym: "Murein" RELATED [KEGG_COMPOUND] synonym: "Peptideglycan" RELATED [KEGG_COMPOUND] synonym: "Peptidoglycan" EXACT [KEGG_COMPOUND] synonym: "peptidoglycan" EXACT IUPAC_NAME [IUPAC] synonym: "peptidoglycan" EXACT [UniProt] xref: KEGG:C00889 xref: Wikipedia:Peptidoglycan is_a: CHEBI:86469 ! peptidoglycosaminoglycan [Term] id: CHEBI:8028 name: perphenazine namespace: chebi_ontology def: "A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10." [] subset: 3_STAR synonym: "2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol" RELATED [NIST_Chemistry_WebBook] synonym: "2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine" RELATED [NIST_Chemistry_WebBook] synonym: "2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol" RELATED [NIST_Chemistry_WebBook] synonym: "4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol" RELATED [NIST_Chemistry_WebBook] synonym: "Chlorpiprazine" RELATED [ChemIDplus] synonym: "gamma-(4-(beta-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine" RELATED [NIST_Chemistry_WebBook] synonym: "perfenazina" RELATED INN [WHO_MedNet] synonym: "Perfenazine" RELATED [ChemIDplus] synonym: "Perphenazin" RELATED [ChemIDplus] synonym: "Perphenazine" EXACT [KEGG_COMPOUND] synonym: "perphenazine" RELATED INN [WHO_MedNet] synonym: "perphenazinum" RELATED INN [WHO_MedNet] synonym: "Trilafon" RELATED [ChemIDplus] xref: Beilstein:54730 {source="Beilstein"} xref: CAS:58-39-9 {source="NIST Chemistry WebBook"} xref: CAS:58-39-9 {source="ChemIDplus"} xref: CAS:58-39-9 {source="KEGG COMPOUND"} xref: Drug_Central:2113 {source="DrugCentral"} xref: DrugBank:DB00850 xref: HMDB:HMDB0014988 xref: KEGG:C07427 xref: KEGG:D00503 xref: LINCS:LSM-2224 xref: Patent:US2766235 xref: Patent:US2860138 xref: PMID:14401911 {source="Europe PMC"} xref: PMID:15674907 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:26660173 {source="Europe PMC"} xref: PMID:27150024 {source="Europe PMC"} xref: Reaxys:54730 {source="Reaxys"} xref: Wikipedia:Perphenazine is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:38093 ! phenothiazines is_a: CHEBI:46851 ! N-(2-hydroxyethyl)piperazine relationship: has_parent_hydride CHEBI:37931 ! 10H-phenothiazine relationship: has_role CHEBI:37930 ! phenothiazine antipsychotic drug relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:50919 ! antiemetic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H26ClN3OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RGCVKNLCSQQDEP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "403.96946" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.14851" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1" xsd:string [Term] id: CHEBI:80291 name: aliphatic nitrile namespace: chebi_ontology def: "Any nitrile derived from an aliphatic compound." [] subset: 3_STAR synonym: "an aliphatic nitrile" RELATED [UniProt] xref: KEGG:C16072 is_a: CHEBI:18379 ! nitrile property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.017" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.00307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C#N" xsd:string [Term] id: CHEBI:80495 name: benzidine namespace: chebi_ontology def: "A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group." [] subset: 3_STAR synonym: "(1,1'-biphenyl)-4,4'-diamine" RELATED [ChemIDplus] synonym: "4,4'-bianiline" RELATED [ChemIDplus] synonym: "4,4'-biphenyldiamine" RELATED [ChemIDplus] synonym: "4,4'-biphenylenediamine" RELATED [ChemIDplus] synonym: "4,4'-diamino-1,1'-biphenyl" RELATED [ChemIDplus] synonym: "4,4'-diaminobiphenyl" RELATED [ChemIDplus] synonym: "4,4'-diaminodiphenyl" RELATED [ChemIDplus] synonym: "4,4'-diphenylenediamine" RELATED [ChemIDplus] synonym: "biphenyl-4,4'-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "C.I. azoic diazo component 112" RELATED [NIST_Chemistry_WebBook] synonym: "p,p'-bianiline" RELATED [NIST_Chemistry_WebBook] synonym: "p,p'-diaminodiphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "p-diaminodiphenyl" RELATED [NIST_Chemistry_WebBook] xref: CAS:92-87-5 {source="ChemIDplus"} xref: CAS:92-87-5 {source="NIST Chemistry WebBook"} xref: CAS:92-87-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0041835 xref: KEGG:C16444 xref: PMID:15317128 {source="Europe PMC"} xref: PMID:21089809 {source="Europe PMC"} xref: PMID:23766236 {source="Europe PMC"} xref: PMID:25151432 {source="Europe PMC"} xref: PMID:25281283 {source="Europe PMC"} xref: PMID:25757908 {source="Europe PMC"} xref: PMID:7341968 {source="Europe PMC"} xref: Reaxys:742770 {source="Reaxys"} xref: Wikipedia:Benzidine is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:48975 ! substituted aniline relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H12N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HFACYLZERDEVSX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "184.10005" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=CC(=C1)C=2C=CC(=CC2)N)N" xsd:string [Term] id: CHEBI:80501 name: Coal-tar pitch namespace: chebi_ontology subset: 2_STAR xref: CAS:65996-93-2 {source="KEGG COMPOUND"} xref: KEGG:C16451 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:80690 name: Thyroglobulin triiodothyronine namespace: chebi_ontology subset: 2_STAR synonym: "Thyroglobulin L-3,5,3'-triiodothyronine" RELATED [KEGG_COMPOUND] xref: KEGG:C16730 is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H11I3N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "675.98300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "675.78530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(Oc2c(I)cc(C[C@H](NC([*])=O)C(=O)N[*])cc2I)cc1I" xsd:string [Term] id: CHEBI:8075 name: phenoxyacetic acid namespace: chebi_ontology def: "A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes." [] subset: 3_STAR synonym: "Glycol acid phenyl ether" RELATED [HMDB] synonym: "phenoxacetic acid" RELATED [ChEBI] synonym: "Phenoxyacetate" RELATED [KEGG_COMPOUND] synonym: "Phenoxyacetic acid" EXACT [KEGG_COMPOUND] synonym: "phenoxyacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Phenoxyessigsaeure" RELATED [ChEBI] synonym: "phenoxyethanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "POA" RELATED [ChemIDplus] xref: Beilstein:907949 {source="Beilstein"} xref: CAS:122-59-8 {source="NIST Chemistry WebBook"} xref: CAS:122-59-8 {source="ChemIDplus"} xref: CAS:122-59-8 {source="KEGG COMPOUND"} xref: Gmelin:142730 {source="Gmelin"} xref: HMDB:HMDB0031609 xref: KEGG:C02181 xref: PDBeChem:06Y xref: PMID:14687482 {source="Europe PMC"} xref: PMID:23838187 {source="Europe PMC"} xref: PMID:26188115 {source="Europe PMC"} xref: PMID:26452788 {source="Europe PMC"} xref: Reaxys:907949 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether relationship: has_functional_parent CHEBI:17497 ! glycolic acid relationship: has_role CHEBI:35219 ! plant growth retardant relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:76956 ! Aspergillus metabolite relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: is_conjugate_acid_of CHEBI:38846 ! phenoxyacetate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCPDWSOZIOUXRV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)COc1ccccc1" xsd:string [Term] id: CHEBI:8092 name: 1,3-phenylenediamine namespace: chebi_ontology def: "A phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions." [] subset: 3_STAR synonym: "1,3-Benzenediamine" RELATED [KEGG_COMPOUND] synonym: "1,3-Diaminobenzene" RELATED [ChemIDplus] synonym: "3-Aminoaniline" RELATED [ChemIDplus] synonym: "3-Phenylenediamine" RELATED [ChemIDplus] synonym: "benzene-1,3-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "m-Diaminobenzene" RELATED [KEGG_COMPOUND] synonym: "m-Phenylenediamine" RELATED [KEGG_COMPOUND] synonym: "meta-Phenylenediamine" RELATED [KEGG_COMPOUND] xref: Beilstein:471357 {source="Beilstein"} xref: CAS:108-45-2 {source="KEGG COMPOUND"} xref: CAS:108-45-2 {source="NIST Chemistry WebBook"} xref: CAS:108-45-2 {source="ChemIDplus"} xref: CAS:25265-76-3 {source="KEGG COMPOUND"} xref: KEGG:C02454 xref: PMID:1395635 {source="Europe PMC"} xref: PMID:22511621 {source="Europe PMC"} xref: PMID:23425124 {source="Europe PMC"} xref: PMID:23573921 {source="Europe PMC"} xref: Reaxys:471357 {source="Reaxys"} xref: Wikipedia:M-Phenylenediamine is_a: CHEBI:51402 ! phenylenediamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WZCQRUWWHSTZEM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "108.14120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.06875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1cccc(N)c1" xsd:string [Term] id: CHEBI:8093 name: phenylephrine namespace: chebi_ontology def: "A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring." [] subset: 3_STAR synonym: "(-)-m-hydroxy-alpha-(methylaminomethyl)benzyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol" EXACT IUPAC_NAME [IUPAC] synonym: "Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, (R)-" RELATED [NIST_Chemistry_WebBook] synonym: "Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)-" RELATED [ChemIDplus] synonym: "Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)-" RELATED [ChemIDplus] synonym: "fenilefrina" RELATED INN [ChemIDplus] synonym: "l-(3-Hydroxyphenyl)-N-methylethanolamine" RELATED [NIST_Chemistry_WebBook] synonym: "Phenylephrine" EXACT [KEGG_COMPOUND] synonym: "phenylephrine" RELATED INN [ChemIDplus] synonym: "phenylephrinum" RELATED INN [ChemIDplus] synonym: "R(-)-Phenylephrine" RELATED [ChemIDplus] xref: CAS:59-42-7 {source="NIST Chemistry WebBook"} xref: CAS:59-42-7 {source="ChemIDplus"} xref: CAS:59-42-7 {source="KEGG COMPOUND"} xref: Drug_Central:2146 {source="DrugCentral"} xref: DrugBank:DB00388 xref: HMDB:HMDB0002182 xref: KEGG:C07441 xref: KEGG:D08365 xref: LINCS:LSM-15380 xref: Patent:US1932347 xref: Patent:US1954389 xref: PMID:10100801 {source="Europe PMC"} xref: PMID:11064374 {source="Europe PMC"} xref: PMID:11528305 {source="Europe PMC"} xref: PMID:12172708 {source="Europe PMC"} xref: PMID:15492464 {source="Europe PMC"} xref: PMID:15522277 {source="Europe PMC"} xref: PMID:15686119 {source="Europe PMC"} xref: PMID:19372348 {source="Europe PMC"} xref: PMID:19427353 {source="Europe PMC"} xref: PMID:24588024 {source="Europe PMC"} xref: PMID:25719378 {source="Europe PMC"} xref: PMID:25902390 {source="Europe PMC"} xref: PMID:26143019 {source="Europe PMC"} xref: PMID:26428281 {source="Europe PMC"} xref: PMID:26513673 {source="Europe PMC"} xref: PMID:26597497 {source="Europe PMC"} xref: PMID:26709790 {source="Europe PMC"} xref: PMID:26873547 {source="Europe PMC"} xref: PMID:26928367 {source="Europe PMC"} xref: PMID:26991619 {source="Europe PMC"} xref: PMID:26992790 {source="Europe PMC"} xref: PMID:27020488 {source="Europe PMC"} xref: PMID:27117950 {source="Europe PMC"} xref: PMID:27164015 {source="Europe PMC"} xref: PMID:27249899 {source="Europe PMC"} xref: PMID:27288620 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:7516005 {source="Europe PMC"} xref: PMID:7879981 {source="Europe PMC"} xref: PMID:8763311 {source="Europe PMC"} xref: PMID:8853328 {source="Europe PMC"} xref: Reaxys:3198815 {source="Reaxys"} xref: Wikipedia:Phenylephrine is_a: CHEBI:25990 ! phenylethanolamines is_a: CHEBI:33853 ! phenols is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:35524 ! sympathomimetic agent relationship: has_role CHEBI:35569 ! alpha-adrenergic agonist relationship: has_role CHEBI:38147 ! cardiotonic drug relationship: has_role CHEBI:50267 ! protective agent relationship: has_role CHEBI:50513 ! mydriatic agent relationship: has_role CHEBI:50514 ! vasoconstrictor agent relationship: has_role CHEBI:77715 ! nasal decongestant relationship: is_conjugate_base_of CHEBI:132294 ! phenylephrine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SONNWYBIRXJNDC-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "167.20500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC[C@H](O)c1cccc(O)c1" xsd:string [Term] id: CHEBI:8107 name: phenytoin namespace: chebi_ontology alt_id: CHEBI:100921 def: "A imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5." [] subset: 3_STAR synonym: "5,5-Diphenyl-imidazolidine-2,4-dione" RELATED [ChEMBL] synonym: "5,5-diphenylimidazolidine-2,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "5,5-diphenylimidazolidine-2,4-dione" RELATED [ChEMBL] synonym: "5,5-diphenyltetrahydro-1H-2,4-imidazoledione" RELATED [ChEMBL] synonym: "DILANTIN" RELATED [ChEMBL] synonym: "fenitoina" RELATED INN [ChemIDplus] synonym: "PHENTYTOIN" RELATED [ChEMBL] synonym: "phenytoin" RELATED INN [ChemIDplus] synonym: "phenytoine" RELATED INN [ChemIDplus] synonym: "phenytoinum" RELATED INN [ChemIDplus] xref: Beilstein:384532 {source="Beilstein"} xref: CAS:57-41-0 {source="ChemIDplus"} xref: CAS:57-41-0 {source="KEGG COMPOUND"} xref: Drug_Central:2152 {source="DrugCentral"} xref: DrugBank:DB00252 xref: HMDB:HMDB0014397 xref: KEGG:C07443 xref: KEGG:D00512 xref: LINCS:LSM-5663 xref: Patent:WO2012174723 xref: PMID:10698828 {source="Europe PMC"} xref: PMID:12952753 {source="Europe PMC"} xref: PMID:15246836 {source="Europe PMC"} xref: PMID:15744730 {source="Europe PMC"} xref: PMID:16303054 {source="Europe PMC"} xref: PMID:7105825 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: PMID:9186244 {source="Europe PMC"} xref: Reaxys:384532 {source="Reaxys"} xref: Wikipedia:Phenytoin is_a: CHEBI:24628 ! imidazolidine-2,4-dione relationship: has_functional_parent CHEBI:27612 ! hydantoin relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:38633 ! sodium channel blocker relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXOFVDLJLONNDW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.26800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:8116 name: phorbol namespace: chebi_ontology def: "A diterpenoid with the structure of tigliane hydroxylated at C-4, -9, -12(beta), -13 and -20, with an oxo group at C-3 and unsaturation at the 1- and 6-positions." [] subset: 3_STAR synonym: "(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one" EXACT IUPAC_NAME [IUPAC] synonym: "4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on" RELATED [ChemIDplus] synonym: "4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one" RELATED [ChEBI] synonym: "Phorbol" EXACT [KEGG_COMPOUND] xref: Beilstein:2341335 {source="Beilstein"} xref: CAS:17673-25-5 {source="KEGG COMPOUND"} xref: CAS:17673-25-5 {source="ChemIDplus"} xref: KEGG:C09155 xref: KNApSAcK:C00003465 xref: LIPID_MAPS_instance:LMPR0104330001 {source="LIPID MAPS"} xref: PMID:27007853 {source="Europe PMC"} is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:51689 ! enone is_a: CHEBI:52557 ! tetracyclic diterpenoid relationship: has_parent_hydride CHEBI:37526 ! tigliane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGVLYPPODPLXMB-UBTYZVCOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.433" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.18859" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1[C@@]2([C@@]([C@]3([C@@](C(=O)C(=C3)C)(CC1CO)O)[H])([C@H](C)[C@H]([C@@]4([C@]2(C4(C)C)[H])O)O)O)[H]" xsd:string [Term] id: CHEBI:81217 name: chrysanthemol namespace: chebi_ontology subset: 2_STAR xref: CAS:5617-92-5 {source="KEGG COMPOUND"} xref: KEGG:C17611 is_a: CHEBI:134362 ! homoallylic alcohol is_a: CHEBI:15734 ! primary alcohol is_a: CHEBI:25409 ! monoterpenoid is_a: CHEBI:51454 ! cyclopropanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HIPIENNKVJCMAP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.253" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(C1C=C(C)C)CO)(C)C" xsd:string [Term] id: CHEBI:81364 name: Dioxation namespace: chebi_ontology subset: 2_STAR xref: CAS:78-34-2 {source="KEGG COMPOUND"} xref: KEGG:C17877 xref: PPDB:1100 xref: VSDB:1100 is_a: CHEBI:46926 ! dioxanes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H26O6P2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBKKVDGJXVOLNE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "456.53900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "456.00875" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC" xsd:string [Term] id: CHEBI:81502 name: 1,2,3,4,7,8-Hexachlorodibenzodioxin namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin" RELATED [KEGG_COMPOUND] synonym: "1,2,3,4,7,8-HxCDD" RELATED [KEGG_COMPOUND] synonym: "PCDD 66" RELATED [KEGG_COMPOUND] xref: CAS:39227-28-6 {source="KEGG COMPOUND"} xref: KEGG:C18100 is_a: CHEBI:36682 ! polychlorinated dibenzodioxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H2Cl6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCYYQNSQJHPVMG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "390.86100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.81860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl" xsd:string [Term] id: CHEBI:81503 name: 1,2,3,6,7,8-Hexachlorodibenzodioxin namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin" RELATED [KEGG_COMPOUND] synonym: "1,2,3,6,7,8-HxCDD" RELATED [KEGG_COMPOUND] synonym: "PCDD 67" RELATED [KEGG_COMPOUND] xref: CAS:57653-85-7 {source="KEGG COMPOUND"} xref: KEGG:C18101 is_a: CHEBI:36682 ! polychlorinated dibenzodioxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H2Cl6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCLUIPQDHHPDJJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "390.86100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.81860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2Oc3c(Oc2c(Cl)c1Cl)cc(Cl)c(Cl)c3Cl" xsd:string [Term] id: CHEBI:81505 name: 1,2,3,4,6,7,8-Heptachlorodibenzodioxin namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin" RELATED [KEGG_COMPOUND] synonym: "1,2,3,4,6,7,8-HpCDD" RELATED [KEGG_COMPOUND] synonym: "PCDD 73" RELATED [KEGG_COMPOUND] xref: CAS:35822-46-9 {source="KEGG COMPOUND"} xref: KEGG:C18103 is_a: CHEBI:36682 ! polychlorinated dibenzodioxine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12HCl7O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCLNVRQZUKYVAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "425.30600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "421.77962" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81506 name: 2,3,7,8-Tetrachlorodibenzofuran namespace: chebi_ontology subset: 2_STAR synonym: "2,3,7,8-TCDF" RELATED [KEGG_COMPOUND] synonym: "PCDF 83" RELATED [KEGG_COMPOUND] xref: CAS:51207-31-9 {source="KEGG COMPOUND"} xref: KEGG:C18104 is_a: CHEBI:134046 ! polychlorinated dibenzofuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KSMVNVHUTQZITP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.97200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.90163" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl" xsd:string [Term] id: CHEBI:81513 name: 1,2,3,4,6,7,8-Heptachlorodibenzofuran namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3,4,6,7,8-HpCDF" RELATED [KEGG_COMPOUND] synonym: "PCDF 131" RELATED [KEGG_COMPOUND] xref: CAS:67562-39-4 {source="KEGG COMPOUND"} xref: KEGG:C18111 is_a: CHEBI:134046 ! polychlorinated dibenzofuran property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12HCl7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WDMKCPIVJOGHBF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "409.30700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.78471" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81516 name: 3,4,4',5-Tetrachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 81" RELATED [KEGG_COMPOUND] xref: CAS:70362-50-4 {source="KEGG COMPOUND"} xref: KEGG:C18114 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36720 ! tetrachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Cl4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHWVLZJTVIYLIV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.98800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92236" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:81517 name: 3,4,5,3',4',5'-Hexachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 169" RELATED [KEGG_COMPOUND] xref: CAS:32774-16-6 {source="KEGG COMPOUND"} xref: KEGG:C18115 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZHLICBPIXDOFFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:81518 name: 2,3,4,3',4'-Pentachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 105" RELATED [KEGG_COMPOUND] xref: CAS:32598-14-4 {source="KEGG COMPOUND"} xref: KEGG:C18116 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WIDHRBRBACOVOY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81519 name: 2,3,4,4',5-Pentachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 114" RELATED [KEGG_COMPOUND] xref: CAS:74472-37-0 {source="KEGG COMPOUND"} xref: KEGG:C18117 is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SXZSFWHOSHAKMN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81520 name: 2,3',4,4',5-Pentachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 118" RELATED [KEGG_COMPOUND] xref: CAS:31508-00-6 {source="KEGG COMPOUND"} xref: KEGG:C18118 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUTPYMGCWINGEY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:81521 name: 2,3',4,4',5'-Pentachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 123" RELATED [KEGG_COMPOUND] xref: CAS:65510-44-3 {source="KEGG COMPOUND"} xref: KEGG:C18119 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36721 ! pentachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Cl5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YAHNWSSFXMVPOU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "326.43300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "323.88339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(c(Cl)c1)-c1cc(Cl)c(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:81522 name: 2,3,3',4,4',5-Hexachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 156" RELATED [KEGG_COMPOUND] xref: CAS:38380-08-4 {source="KEGG COMPOUND"} xref: KEGG:C18120 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCXMEXLGMKFLQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81523 name: 2,3,3',4,4',5'-Hexachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 157" RELATED [KEGG_COMPOUND] xref: CAS:69782-90-7 {source="KEGG COMPOUND"} xref: KEGG:C18121 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YTWXDQVNPCIEOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81524 name: 2,3',4,4',5,5'-Hexachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 167" RELATED [KEGG_COMPOUND] xref: CAS:52663-72-6 {source="KEGG COMPOUND"} xref: KEGG:C18122 is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:36722 ! hexachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AZXHAWRMEPZSSV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.87800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.84442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1" xsd:string [Term] id: CHEBI:81525 name: 2,3,3',4,4',5,5'-Heptachlorobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "PCB 189" RELATED [KEGG_COMPOUND] xref: CAS:39635-31-9 {source="KEGG COMPOUND"} xref: KEGG:C18123 is_a: CHEBI:26888 ! tetrachlorobenzene is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:85782 ! heptachlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H3Cl7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUAWBXBYHDRROL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "395.32300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "391.80544" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cc(cc(Cl)c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81534 name: 2,2',4,4',5,5'-Hexabromodiphenyl ether namespace: chebi_ontology subset: 2_STAR synonym: "BDE 153" RELATED [KEGG_COMPOUND] xref: CAS:68631-49-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037525 xref: KEGG:C18137 is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37141 ! organobromine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Br6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZXIRSKYBISPGF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "643.58400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "637.53624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br" xsd:string [Term] id: CHEBI:81535 name: 2,2',4,4',5,6'-Hexabromodiphenyl ether namespace: chebi_ontology subset: 2_STAR synonym: "BDE 154" RELATED [KEGG_COMPOUND] synonym: "PBDE 154" RELATED [KEGG_COMPOUND] xref: CAS:207122-15-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037526 xref: KEGG:C18138 is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37141 ! organobromine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Br6O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHNPZYZQKWIWOD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "643.58400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "637.53624" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1" xsd:string [Term] id: CHEBI:81537 name: 2,2',3,4,4',5',6-Heptabromodiphenyl ether namespace: chebi_ontology subset: 2_STAR synonym: "1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene" RELATED [KEGG_COMPOUND] synonym: "BDE 183" RELATED [KEGG_COMPOUND] xref: CAS:207122-16-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037546 xref: KEGG:C18140 is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37141 ! organobromine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H3Br7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ILPSCQCLBHQUEM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "722.48000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "715.44676" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br" xsd:string [Term] id: CHEBI:81539 name: metiram namespace: chebi_ontology def: "A polymer comprising ethylenebis(dithiocarbamate) units and (ammonia)zinc(II). It is used in agriculture for the control of scab in fruit, blight in tomatoes and potatoes, and downy mildew in hops and grapes." [] subset: 3_STAR synonym: "Amarex" RELATED BRAND_NAME [ChemIDplus] synonym: "metirame" RELATED [ChEBI] synonym: "metirame zinc" RELATED [ChemIDplus] synonym: "Polyram 80" RELATED BRAND_NAME [ChemIDplus] synonym: "zinc ammoniate ethylenebis(dithiocarbamate)-poly(ethylenethiuram disulfide)" RELATED [ChemIDplus] synonym: "zinc metiram" RELATED [ChemIDplus] xref: CAS:9006-42-2 {source="ChemIDplus"} xref: CAS:9006-42-2 {source="KEGG COMPOUND"} xref: KEGG:C18144 xref: Pesticides:metiram {source="Alan Wood's Pesticides"} xref: PMID:10774831 {source="Europe PMC"} xref: PMID:21544926 {source="Europe PMC"} xref: PMID:22555811 {source="Europe PMC"} xref: Reaxys:11316510 {source="Reaxys"} is_a: CHEBI:60027 ! polymer relationship: has_part CHEBI:36566 ! zinc coordination entity relationship: has_part CHEBI:83060 ! dithiocarbamate salt relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C16H33N11S16Zn3)n" xsd:string [Term] id: CHEBI:81542 name: Octachlorostyrene namespace: chebi_ontology subset: 2_STAR xref: CAS:29082-74-4 {source="KEGG COMPOUND"} xref: KEGG:C18148 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8Cl8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RUYUCCQRWINUHE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "379.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.75082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl" xsd:string [Term] id: CHEBI:81555 name: Enterolactone namespace: chebi_ontology subset: 2_STAR synonym: "2,3-Bis(3'-hydroxybenzyl)butyrolactone" RELATED [HMDB] synonym: "3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone" RELATED [HMDB] synonym: "3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one" RELATED [HMDB] synonym: "Dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone" RELATED [HMDB] xref: CAS:76543-15-2 {source="KEGG COMPOUND"} xref: CAS:78473-71-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0006101 xref: KEGG:C18165 xref: KNApSAcK:C00000703 xref: MetaCyc:2-CHLORO-TRANS-DIENELACTONE xref: PMID:11216511 {source="Europe PMC"} xref: PMID:12107024 {source="Europe PMC"} xref: PMID:12270221 {source="Europe PMC"} xref: PMID:16168401 {source="Europe PMC"} xref: PMID:17976571 {source="Europe PMC"} is_a: CHEBI:25036 ! lignan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H18O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVDGDHBAMCBBLR-PBHICJAKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "298.33310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.12051" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cccc(C[C@@H]2COC(=O)[C@H]2Cc2cccc(O)c2)c1" xsd:string [Term] id: CHEBI:81556 name: Enterodiol namespace: chebi_ontology subset: 2_STAR synonym: "(-)-Enterodiol" RELATED [HMDB] synonym: "(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol" RELATED [HMDB] synonym: "(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol" RELATED [HMDB] synonym: "[R-(R*,R*)]-2,3-bis[(3-hydroxyphenyl)methyl]-1,4-Butanediol" RELATED [HMDB] synonym: "Arbo 9" RELATED [HMDB] xref: CAS:80226-00-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0005056 xref: KEGG:C18166 xref: PMID:12270221 {source="Europe PMC"} xref: PMID:17976571 {source="Europe PMC"} is_a: CHEBI:25036 ! lignan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H22O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DWONJCNDULPHLV-HOTGVXAUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.36490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.15181" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1" xsd:string [Term] id: CHEBI:81567 name: thyroid stimulating hormone namespace: chebi_ontology alt_id: CHEBI:138153 subset: 3_STAR is_a: CHEBI:17089 ! glycoprotein [Term] id: CHEBI:81582 name: 2,4-dibromophenyl 2,4,5-tribromophenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines." [] subset: 3_STAR synonym: "1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene" RELATED [ChemIDplus] synonym: "2,2',4,4',5-pentabromodiphenyl ether" RELATED [ChemIDplus] synonym: "2,4-dibromophenyl 2,4,5-tribromophenyl ether" EXACT IUPAC_NAME [IUPAC] synonym: "BDE 99" RELATED [KEGG_COMPOUND] synonym: "BDE-99" RELATED [ChemIDplus] synonym: "PBDE 99" RELATED [KEGG_COMPOUND] synonym: "PBDE-99" RELATED [ChEBI] xref: CAS:60348-60-9 {source="NIST Chemistry WebBook"} xref: CAS:60348-60-9 {source="ChemIDplus"} xref: CAS:60348-60-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037516 xref: KEGG:C18203 xref: PMID:23258742 {source="Europe PMC"} xref: PMID:25081382 {source="Europe PMC"} xref: PMID:25747361 {source="Europe PMC"} xref: PMID:25908029 {source="Europe PMC"} xref: PMID:25956475 {source="Europe PMC"} xref: PMID:26505652 {source="Europe PMC"} xref: PMID:26923239 {source="Europe PMC"} xref: PMID:27343407 {source="Europe PMC"} xref: PMID:27471519 {source="Europe PMC"} xref: PMID:28006665 {source="Europe PMC"} xref: PMID:28007175 {source="Europe PMC"} xref: PMID:28034496 {source="Europe PMC"} xref: PMID:28104345 {source="Europe PMC"} xref: PMID:28317842 {source="Europe PMC"} xref: PMID:28512710 {source="Europe PMC"} xref: PMID:28525869 {source="Europe PMC"} xref: PMID:28557710 {source="Europe PMC"} xref: Reaxys:7538447 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H5Br5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHPVYXDFIXRKLN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "564.686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "559.62573" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br" xsd:string [Term] id: CHEBI:81584 name: 2,2',4,4'-Tetrabromodiphenyl ether namespace: chebi_ontology subset: 2_STAR synonym: "1,1'-Oxybis(2,4-dibromo-Benzene" RELATED [HMDB] synonym: "1,1'-Oxybis(2,4-dibromobenzene)" RELATED [HMDB] synonym: "1,1'-Oxybis[2,4-dibromobenzene], 9CI" RELATED [HMDB] synonym: "2,2',4,4'-TetraBDE" RELATED [HMDB] synonym: "2,2',4,4'-Tetrabromodiphenyl ether" EXACT [HMDB] synonym: "2,2'4,4'-Tetrabromodiphenyl ether" RELATED [HMDB] synonym: "2,4-dibromo-1-(2,4-dibromophenoxy)benzene" RELATED [HMDB] synonym: "BDE 47" RELATED [KEGG_COMPOUND] synonym: "Dibromophenyl ether" RELATED [HMDB] synonym: "PBDE 47" RELATED [KEGG_COMPOUND] synonym: "PBDE-47" RELATED [HMDB] xref: CAS:5436-43-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037547 xref: KEGG:C18205 xref: PMID:17937301 {source="Europe PMC"} xref: PMID:19539352 {source="Europe PMC"} xref: PMID:21237513 {source="Europe PMC"} xref: PMID:22885218 {source="Europe PMC"} xref: PMID:23014954 {source="Europe PMC"} is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37141 ! organobromine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6Br4O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XYBSIYMGXVUVGY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "485.79100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "481.71522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1" xsd:string [Term] id: CHEBI:81599 name: 1,1-Dichloroethane namespace: chebi_ontology subset: 2_STAR xref: CAS:75-34-3 {source="KEGG COMPOUND"} xref: KEGG:C18247 xref: PPDB:1634 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SCYULBFZEHDVBN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.95900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96901" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(Cl)Cl" xsd:string [Term] id: CHEBI:81696 name: asulam namespace: chebi_ontology def: "A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken." [] subset: 3_STAR synonym: "4-Amino-benzolsulfonyl-methylcarbamat" RELATED [ChemIDplus] synonym: "asulame" RELATED [ChemIDplus] synonym: "methyl [(4-aminophenyl)sulfonyl]carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "methyl N-(4-aminobenzenesulfonyl)carbamate" RELATED [ChemIDplus] synonym: "methyl sulfanilylcarbamate" RELATED [ChemIDplus] synonym: "N(1)-methoxycarbonylsulfanilamide" RELATED [ChemIDplus] xref: AGR:IND44109762 {source="Europe PMC"} xref: CAS:3337-71-1 {source="KEGG COMPOUND"} xref: CAS:3337-71-1 {source="ChemIDplus"} xref: CAS:3337-71-1 {source="NIST Chemistry WebBook"} xref: KEGG:C18350 xref: Patent:BE622214 xref: Patent:CN101492401 xref: Patent:CN101704771 xref: Pesticides:asulam {source="Alan Wood's Pesticides"} xref: PMID:1452156 {source="Europe PMC"} xref: PMID:18965512 {source="Europe PMC"} xref: PMID:29673416 {source="Europe PMC"} xref: PMID:6711013 {source="Europe PMC"} xref: PPDB:1551 xref: Reaxys:2697523 {source="Reaxys"} xref: Wikipedia:Asulam is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50502 ! EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:142669 ! asulam(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VGPYEHKOIGNJKV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.24100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.03613" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)NS(=O)(=O)c1ccc(N)cc1" xsd:string [Term] id: CHEBI:81728 name: Anilofos namespace: chebi_ontology subset: 2_STAR xref: CAS:64249-01-0 {source="KEGG COMPOUND"} xref: KEGG:C18394 xref: PPDB:1175 is_a: CHEBI:13248 ! anilide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H19ClNO3PS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NXQDBZGWYSEGFL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "367.85200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "367.02325" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:81733 name: desmedipham namespace: chebi_ontology def: "A carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate" RELATED [IUPAC] synonym: "3-Ethoxycarbonylaminophenyl-N-phenylcarbamate" RELATED [ChemIDplus] synonym: "Ethyl 3'-phenylcarbamoyloxycarbanilate" RELATED [ChemIDplus] xref: CAS:13684-56-5 {source="ChemIDplus"} xref: CAS:13684-56-5 {source="KEGG COMPOUND"} xref: KEGG:C18417 xref: Pesticides:desmedipham {source="Alan Wood's Pesticides"} xref: PMID:11601459 {source="Europe PMC"} xref: PMID:21374783 {source="Europe PMC"} xref: PMID:3412424 {source="Europe PMC"} xref: PPDB:207 xref: Reaxys:2395716 {source="Reaxys"} is_a: CHEBI:23003 ! carbamate ester relationship: has_functional_parent CHEBI:52496 ! phenylcarbamic acid relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WZJZMXBKUWKXTQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.30920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.11101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1" xsd:string [Term] id: CHEBI:81734 name: phenmedipham namespace: chebi_ontology def: "A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group." [] subset: 3_STAR synonym: "3-(methoxyformamido)phenyl (3-methylphenyl)carbamate" RELATED [Alan_Wood's_Pesticides] synonym: "3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate" RELATED [ChEBI] synonym: "3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate" RELATED [ChemIDplus] synonym: "methyl 3-(3-methylcarbaniloyloxy)carbanilate" RELATED [Alan_Wood's_Pesticides] xref: CAS:13684-63-4 {source="KEGG COMPOUND"} xref: CAS:13684-63-4 {source="ChemIDplus"} xref: KEGG:C18420 xref: Pesticides:phenmedipham {source="Alan Wood's Pesticides"} xref: PMID:11409536 {source="Europe PMC"} xref: PMID:2606004 {source="Europe PMC"} xref: PMID:7919217 {source="Europe PMC"} xref: PPDB:516 xref: Reaxys:2395027 {source="Reaxys"} is_a: CHEBI:23003 ! carbamate ester relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IDOWTHOLJBTAFI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.30920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.11101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1" xsd:string [Term] id: CHEBI:81758 name: cyproconazole namespace: chebi_ontology def: "A diastereoisomeric mixture composed of the enantiomeric pair (2R,3S)- and (2S,3R)-cyproconazole in ratio 1:1 with the enantiomeric pair (2R,3R)- and (2S,3S)-cyproconazole. A broad spectrum fungicide, it is used on cereals and other field crops used to control Septoria, rust, powdery mildew and other diseases." [] subset: 3_STAR synonym: "alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1N-1,2,4-triazole-1-ethanol" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] xref: CAS:94361-06-5 {source="ChemIDplus"} xref: CAS:94361-06-5 {source="KEGG COMPOUND"} xref: KEGG:C18456 xref: Pesticides:cyproconazole {source="Alan Wood's Pesticides"} xref: PMID:23708404 {source="Europe PMC"} xref: PMID:24691702 {source="Europe PMC"} xref: PMID:25182419 {source="Europe PMC"} xref: Reaxys:8324780 {source="Reaxys"} is_a: CHEBI:60915 ! diastereoisomeric mixture is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_part CHEBI:83749 ! (2R,3S)-cyproconazole relationship: has_part CHEBI:83750 ! (2S,3S)-cyproconazole relationship: has_part CHEBI:83752 ! (2S,3R)-cyproconazole relationship: has_part CHEBI:83753 ! (2R,3R)-cyproconazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50908 ! hepatotoxic agent relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CHEBI:81760 name: difenoconazole namespace: chebi_ontology def: "A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms." [] subset: 3_STAR synonym: "1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] xref: CAS:119446-68-3 {source="KEGG COMPOUND"} xref: CAS:119446-68-3 {source="NIST Chemistry WebBook"} xref: CAS:119446-68-3 {source="ChemIDplus"} xref: KEGG:C18459 xref: Pesticides:difenoconazole {source="Alan Wood's Pesticides"} xref: PMID:24405376 {source="Europe PMC"} xref: PMID:25172726 {source="Europe PMC"} xref: PMID:25306325 {source="Europe PMC"} xref: PPDB:230 xref: Reaxys:9073356 {source="Reaxys"} is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:39430 ! dioxolane is_a: CHEBI:59779 ! cyclic ketal is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17Cl2N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQYJATMQXGBDHF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "406.26300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.06470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1COC(Cn2cncn2)(O1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl" xsd:string [Term] id: CHEBI:81781 name: tebuconazole namespace: chebi_ontology alt_id: CHEBI:83566 def: "A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops." [] subset: 3_STAR synonym: "(RS)-1-p-chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" RELATED [Alan_Wood's_Pesticides] synonym: "Ethyltrianol" RELATED [ChemIDplus] synonym: "Fenetrazole" RELATED [ChemIDplus] synonym: "rac-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Terbuconazole" RELATED [ChemIDplus] xref: CAS:107534-96-3 {source="KEGG COMPOUND"} xref: CAS:107534-96-3 {source="ChemIDplus"} xref: KEGG:C18489 xref: Pesticides:tebuconazole {source="Alan Wood's Pesticides"} xref: PMID:24200952 {source="Europe PMC"} xref: PMID:24522828 {source="Europe PMC"} xref: PMID:24920897 {source="Europe PMC"} xref: PMID:25300182 {source="Europe PMC"} xref: Reaxys:6686475 {source="Reaxys"} xref: Wikipedia:Tebuconazole is_a: CHEBI:60911 ! racemate is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_part CHEBI:83780 ! (S)-tebuconazole relationship: has_part CHEBI:83781 ! (R)-tebuconazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CHEBI:81788 name: cymoxanil namespace: chebi_ontology def: "A member of the class of ureas that is urea in which the two nitrogen atoms are substituted by an ethyl group and a 2-cyano-2-(methoxyimino)acetyl group respectively. A fungicide used to control Peronosporales on a range of crops including vines, hops and potatoes." [] subset: 3_STAR synonym: "1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea" RELATED [ChemIDplus] synonym: "2-cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:57966-95-7 {source="KEGG COMPOUND"} xref: CAS:57966-95-7 {source="NIST Chemistry WebBook"} xref: CAS:57966-95-7 {source="ChemIDplus"} xref: KEGG:C18498 xref: Pesticides:cymoxanil {source="Alan Wood's Pesticides"} xref: PMID:24791955 {source="Europe PMC"} xref: PMID:25212392 {source="Europe PMC"} xref: PMID:25236328 {source="Europe PMC"} xref: PMID:25306333 {source="Europe PMC"} xref: PPDB:196 xref: Reaxys:2214017 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:36816 ! oxime O-ether is_a: CHEBI:47857 ! ureas is_a: CHEBI:86417 ! aliphatic nitrogen antifungal agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H10N4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XERJKGMBORTKEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.17930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.07529" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNC(=O)NC(=O)C(=NOC)C#N" xsd:string [Term] id: CHEBI:81789 name: dimethenamid namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-dimethenamid. A herbicide, it is applied to the soil for the control of various broad-leaved weeds and grasses. Only the S enantiomer (generally known as dimethenamid-P) is active." [] subset: 3_STAR synonym: "(RS)-2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:87674-68-8 {source="NIST Chemistry WebBook"} xref: CAS:87674-68-8 {source="KEGG COMPOUND"} xref: CAS:87674-68-8 {source="ChemIDplus"} xref: KEGG:C18499 xref: Pesticides:dimethenamid {source="Alan Wood's Pesticides"} xref: PMID:20302364 {source="Europe PMC"} xref: PMID:23041034 {source="Europe PMC"} xref: Reaxys:8143313 {source="Reaxys"} xref: Wikipedia:Dimethenamid is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83639 ! (R)-dimethenamid relationship: has_part CHEBI:83640 ! dimethenamid-P relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:64911 ! antimitotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:81805 name: fluazifop namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)-fluazipop (the active enantiomer, also known as fluazifop-P) and (S)-fluazifop (the inactive enantiomer). Both fluazifop and fluazifop-P have been used (generally as the corresponidng n-butyl esters, known as fluazifop-butyl and fluazifop-P-butyl, respectively) as herbicides for the pre-emergence control of grass weeds in a variety of crops." [] subset: 3_STAR synonym: "(RS)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:69335-91-7 {source="KEGG COMPOUND"} xref: CAS:69335-91-7 {source="ChemIDplus"} xref: KEGG:C18527 xref: Pesticides:fluazifop {source="Alan Wood's Pesticides"} xref: PMID:22203322 {source="Europe PMC"} xref: PMID:24861927 {source="Europe PMC"} xref: Reaxys:1552236 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83599 ! fluazifop-P relationship: has_part CHEBI:83600 ! (S)-fluazifop relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.07184" xsd:string [Term] id: CHEBI:81806 name: 2-methyl-4-chlorophenoxybutyric acid namespace: chebi_ontology def: "A monocarboxylic acid that is butyric acid substituted by a 2-methyl-4-chlorophenoxy group at position 4." [] subset: 3_STAR synonym: "4-(4-chloro-2-methylphenoxy)butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-(4-chloro-o-tolyloxy)butyric acid" RELATED [Alan_Wood's_Pesticides] synonym: "MCPB" RELATED [KEGG_COMPOUND] xref: CAS:94-81-5 {source="KEGG COMPOUND"} xref: CAS:94-81-5 {source="NIST Chemistry WebBook"} xref: CAS:94-81-5 {source="ChemIDplus"} xref: KEGG:C18529 xref: Pesticides:mcpb {source="Alan Wood's Pesticides"} xref: PMID:22500447 {source="Europe PMC"} xref: PPDB:428 xref: Reaxys:2215202 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H13ClO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LLWADFLAOKUBDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.67200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.05532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(Cl)ccc1OCCCC(O)=O" xsd:string [Term] id: CHEBI:81807 name: quizalofop-ethyl namespace: chebi_ontology def: "A racemate coprising equimolar amounts of quizalofop-P-ethyl and its enantiomer, (S)-quizalofop-ethyl. A proherbicide for quizalofop." [] subset: 3_STAR synonym: "(+-)-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" RELATED [ChEBI] synonym: "ethyl (2RS)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate" RELATED [Alan_Wood's_Pesticides] synonym: "rac-ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" RELATED [Alan_Wood's_Pesticides] synonym: "rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "rac-ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionate" RELATED [ChEBI] xref: AGR:IND43812128 {source="Europe PMC"} xref: AGR:IND91003865 {source="Europe PMC"} xref: CAS:76578-14-8 {source="KEGG COMPOUND"} xref: CAS:76578-14-8 {source="NIST Chemistry WebBook"} xref: CAS:76578-14-8 {source="ChemIDplus"} xref: CAS:76578-14-8 {source="Alan Wood's Pesticides"} xref: KEGG:C18530 xref: Patent:DE3004770 xref: Patent:FR2655239 xref: Pesticides:derivatives/quizalofop-ethyl {source="Alan Wood's Pesticides"} xref: PMID:22566128 {source="Europe PMC"} xref: PMID:24964043 {source="Europe PMC"} xref: PMID:26971169 {source="Europe PMC"} xref: Reaxys:7145610 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:137938 ! quizalofop-P-ethyl relationship: has_part CHEBI:137939 ! (S)-quizalofop-ethyl relationship: has_role CHEBI:136646 ! proherbicide relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17ClN2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.08768" xsd:string [Term] id: CHEBI:81815 name: Sethoxydim namespace: chebi_ontology subset: 2_STAR xref: CAS:74051-80-2 {source="KEGG COMPOUND"} xref: KEGG:C18539 is_a: CHEBI:33822 ! organic hydroxy compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H29NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSPPKDPQLUUTND-NBVRZTHBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.48200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.18681" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC(=N/OCC)\\C1=C(O)CC(CC(C)SCC)CC1=O" xsd:string [Term] id: CHEBI:81817 name: trinexapac-ethyl namespace: chebi_ontology def: "An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol." [] subset: 3_STAR synonym: "ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate" RELATED [Alan_Wood's_Pesticides] synonym: "ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate" RELATED [Alan_Wood's_Pesticides] synonym: "ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND44384082 {source="Europe PMC"} xref: CAS:95266-40-3 {source="KEGG COMPOUND"} xref: CAS:95266-40-3 {source="NIST Chemistry WebBook"} xref: CAS:95266-40-3 {source="ChemIDplus"} xref: CAS:95266-40-3 {source="Alan Wood's Pesticides"} xref: KEGG:C18541 xref: Patent:EP126713 xref: Patent:US2011230347 xref: Patent:US4693745 xref: Pesticides:derivatives/trinexapac-ethyl {source="Alan Wood's Pesticides"} xref: Reaxys:11736961 {source="Reaxys"} is_a: CHEBI:23482 ! cyclohexanones is_a: CHEBI:23990 ! ethyl ester is_a: CHEBI:33823 ! enol is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:55380 ! beta-hydroxy ketone relationship: has_functional_parent CHEBI:83454 ! trinexapac relationship: has_role CHEBI:136859 ! pro-agent relationship: has_role CHEBI:26155 ! plant growth regulator relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:73193 ! gibberellin biosynthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H16O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RVKCCVTVZORVGD-QXMHVHEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "252.264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.09977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C/1(\\C(CC(CC1=O)C(OCC)=O)=O)=C(\\C2CC2)/O" xsd:string [Term] id: CHEBI:81821 name: ioxynil namespace: chebi_ontology def: "A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5." [] subset: 3_STAR synonym: "4-hydroxy-3,5-diiodobenzonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Actril" RELATED [ChemIDplus] synonym: "Bentrol" RELATED [ChemIDplus] synonym: "Loxynil" RELATED [ChemIDplus] xref: CAS:1689-83-4 {source="KEGG COMPOUND"} xref: CAS:1689-83-4 {source="ChemIDplus"} xref: KEGG:C18546 xref: Pesticides:ioxynil {source="Alan Wood's Pesticides"} xref: PMID:22893975 {source="Europe PMC"} xref: PMID:24449421 {source="Europe PMC"} xref: PPDB:402 xref: Reaxys:2364041 {source="Reaxys"} is_a: CHEBI:18379 ! nitrile is_a: CHEBI:24863 ! iodophenol relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H3I2NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NRXQIUSYPAHGNM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "370.91380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "370.83040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1c(I)cc(cc1I)C#N" xsd:string [Term] id: CHEBI:81822 name: boscalid namespace: chebi_ontology def: "A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals." [] subset: 3_STAR synonym: "2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide" RELATED [Alan_Wood's_Pesticides] synonym: "2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide" RELATED [Alan_Wood's_Pesticides] synonym: "2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:188425-85-6 {source="KEGG COMPOUND"} xref: CAS:188425-85-6 {source="ChemIDplus"} xref: KEGG:C18547 xref: Pesticides:boscalid {source="Alan Wood's Pesticides"} xref: PMID:24380616 {source="Europe PMC"} xref: PMID:24711278 {source="Europe PMC"} xref: PMID:24893153 {source="Europe PMC"} xref: PMID:24901961 {source="Europe PMC"} xref: PMID:24936710 {source="Europe PMC"} xref: PPDB:86 xref: Reaxys:10092464 {source="Reaxys"} is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:25529 ! pyridinecarboxamide is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:87015 ! anilide fungicide relationship: has_functional_parent CHEBI:15940 ! nicotinic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:83072 ! EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H12Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYEMLYFITZORAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "343.20700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.03267" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)-c1ccccc1NC(=O)c1cccnc1Cl" xsd:string [Term] id: CHEBI:81824 name: diflufenican namespace: chebi_ontology alt_id: CHEBI:83567 def: "A pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2." [] subset: 3_STAR synonym: "2',4'-Difluoro-2-(alpha,alpha,alpha-trifluoro-m-tolyloxy)nicotinanilide" RELATED [ChemIDplus] synonym: "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:83164-33-4 {source="KEGG COMPOUND"} xref: CAS:83164-33-4 {source="ChemIDplus"} xref: KEGG:C18549 xref: Pesticides:diflufenican {source="Alan Wood's Pesticides"} xref: PMID:22961490 {source="Europe PMC"} xref: PMID:23887887 {source="Europe PMC"} xref: PMID:25096492 {source="Europe PMC"} xref: PPDB:235 xref: Reaxys:4212494 {source="Reaxys"} is_a: CHEBI:25529 ! pyridinecarboxamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H11F5N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYEHFWKAOXOVJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "394.29490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "394.07407" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1" xsd:string [Term] id: CHEBI:81838 name: chloridazon namespace: chebi_ontology def: "A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2." [] subset: 3_STAR synonym: "5-amino-4-chloro-2-phenylpyridazin-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "chloridazone" RELATED [NIST_Chemistry_WebBook] synonym: "Clorizol" RELATED [ChemIDplus] synonym: "Curbetan" RELATED [ChemIDplus] synonym: "pyrazon" RELATED [NIST_Chemistry_WebBook] synonym: "Pyrazonl" RELATED [ChemIDplus] xref: CAS:1698-60-8 {source="ChemIDplus"} xref: CAS:1698-60-8 {source="KEGG COMPOUND"} xref: CAS:1698-60-8 {source="NIST Chemistry WebBook"} xref: KEGG:C18570 xref: Patent:NZ244108 xref: Pesticides:chloridazon {source="Alan Wood's Pesticides"} xref: PMID:22575008 {source="Europe PMC"} xref: PMID:23562547 {source="Europe PMC"} xref: PMID:25149238 {source="Europe PMC"} xref: PPDB:141 xref: Reaxys:397241 {source="Reaxys"} is_a: CHEBI:22712 ! benzenes is_a: CHEBI:26414 ! pyridazinone is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYKYKTKDBLFHCY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.64300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.03559" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1cnn(-c2ccccc2)c(=O)c1Cl" xsd:string [Term] id: CHEBI:81843 name: fluazinam namespace: chebi_ontology def: "A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens." [] subset: 3_STAR synonym: "3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine" RELATED [Alan_Wood's_Pesticides] synonym: "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "Shirlan" RELATED BRAND_NAME [ChemIDplus] xref: CAS:79622-59-6 {source="KEGG COMPOUND"} xref: CAS:79622-59-6 {source="ChemIDplus"} xref: KEGG:C18578 xref: Patent:NZ582589 xref: Patent:WO2011092618 xref: Pesticides:fluazinam {source="Alan Wood's Pesticides"} xref: PMID:19837458 {source="Europe PMC"} xref: PMID:21907236 {source="Europe PMC"} xref: PMID:22465686 {source="Europe PMC"} xref: PMID:23464902 {source="Europe PMC"} xref: PMID:24427089 {source="Europe PMC"} xref: PMID:24813983 {source="Europe PMC"} xref: PMID:7774188 {source="Europe PMC"} xref: PPDB:325 xref: Reaxys:4772672 {source="Reaxys"} xref: Wikipedia:Fluazinam is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:38207 ! aminopyridine is_a: CHEBI:39173 ! chloropyridine is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:68495 ! apoptosis inducer relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H4Cl2F6N4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UZCGKGPEKUCDTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "465.09200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "463.95138" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cc(c(Cl)c(c1Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F" xsd:string [Term] id: CHEBI:81848 name: dimethomorph namespace: chebi_ontology def: "A mixture of (E)- and (Z)-dimethomorph in an unspecified ratio. It is used as a systemic fungicide used on vines, potatoes, and greenhouse crops; only the Z isomer has fungicidal activity." [] subset: 3_STAR synonym: "(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine" RELATED [ChemIDplus] xref: CAS:110488-70-5 {source="KEGG COMPOUND"} xref: CAS:110488-70-5 {source="ChemIDplus"} xref: KEGG:C18583 xref: Patent:EP294907 xref: Patent:US4933449 xref: Pesticides:dimethomorph {source="Alan Wood's Pesticides"} xref: PMID:23496017 {source="Europe PMC"} xref: PMID:25306333 {source="Europe PMC"} xref: PPDB:245 xref: Reaxys:8396839 {source="Reaxys"} is_a: CHEBI:60004 ! mixture is_a: CHEBI:87134 ! morpholine fungicide relationship: has_part CHEBI:83426 ! (E)-dimethomorph relationship: has_part CHEBI:83427 ! (Z)-dimethomorph relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22ClNO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNBTYORWCCMPQP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "387.85700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.12374" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1OC)C(=CC(=O)N1CCOCC1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:81856 name: dicamba namespace: chebi_ontology def: "A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6." [] subset: 3_STAR synonym: "3,6-dichloro-2-methoxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,6-dichloro-o-anisic acid" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND607347510 {source="Europe PMC"} xref: CAS:1918-00-9 {source="ChemIDplus"} xref: CAS:1918-00-9 {source="NIST Chemistry WebBook"} xref: CAS:1918-00-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0251180 xref: KEGG:C18597 xref: Patent:US2014329681 xref: PDBeChem:D3M xref: Pesticides:dicamba {source="Alan Wood's Pesticides"} xref: PMID:23726069 {source="Europe PMC"} xref: PMID:24351123 {source="Europe PMC"} xref: PMID:24420721 {source="Europe PMC"} xref: PMID:34817161 {source="Europe PMC"} xref: PMID:35170207 {source="Europe PMC"} xref: PMID:35926599 {source="Europe PMC"} xref: PMID:36033860 {source="Europe PMC"} xref: PMID:36181421 {source="Europe PMC"} xref: PMID:36205187 {source="Europe PMC"} xref: PMID:36297822 {source="Europe PMC"} xref: PPDB:213 xref: Reaxys:2453039 {source="Reaxys"} xref: Wikipedia:Dicamba is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:25238 ! methoxybenzoic acid relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:141349 ! 3,6-dichloro-2-methoxybenzoate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6Cl2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IWEDIXLBFLAXBO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.96940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(C(=C1OC)C(O)=O)Cl)Cl" xsd:string [Term] id: CHEBI:81857 name: imazamox namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (S)- and (R)-imazamox. An inhibitor of acetohydroxyacid synthase, it is used (particularly as the corresponding ammonium salt, known as imazamox-ammonium) as a herbicide for the control of grass, broad-leaf weeds, and pond weed." [] subset: 3_STAR synonym: "2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid" RELATED [Alan_Wood's_Pesticides] synonym: "2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "rac-5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid" RELATED [IUPAC] xref: CAS:114311-32-9 {source="KEGG COMPOUND"} xref: KEGG:C18598 xref: Pesticides:imazamox {source="Alan Wood's Pesticides"} xref: PMID:23934624 {source="Europe PMC"} xref: PMID:24184452 {source="Europe PMC"} xref: PMID:24861929 {source="Europe PMC"} xref: PMID:26283531 {source="Europe PMC"} xref: PMID:26508428 {source="Europe PMC"} xref: PMID:26560850 {source="Europe PMC"} xref: PMID:26616105 {source="Europe PMC"} xref: Reaxys:8217634 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83743 ! (S)-imazamox relationship: has_part CHEBI:83744 ! (R)-imazamox relationship: has_role CHEBI:22180 ! EC 2.2.1.6 (acetolactate synthase) inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.13756" xsd:string [Term] id: CHEBI:81859 name: Dalapon namespace: chebi_ontology subset: 2_STAR synonym: "2,2-Dichloropropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2,2-DPA" RELATED [KEGG_COMPOUND] xref: CAS:75-99-0 {source="KEGG COMPOUND"} xref: KEGG:C18600 xref: PPDB:1613 is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:33575 ! carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4Cl2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NDUPDOJHUQKPAG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.96900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.95883" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(Cl)(Cl)C(O)=O" xsd:string [Term] id: CHEBI:81909 name: diclofop namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-diclofop. It is a metabolite of declofop-methyl and a postemergence herbicide used for the control of wild oats and annual weeds in wheat, barley, rye and broad-leaved crops." [] subset: 3_STAR synonym: "(+-)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" RELATED [ChEBI] synonym: "(RS)-2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid" RELATED [ChemIDplus] synonym: "dichlorfop acid" RELATED [ChemIDplus] synonym: "diclofop acid" RELATED [ChemIDplus] synonym: "diclofop free acid" RELATED [ChEBI] synonym: "HOE 021079" RELATED [PPDB] synonym: "HOE-021079" RELATED [ChEBI] synonym: "rac-(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:40843-25-2 {source="NIST Chemistry WebBook"} xref: CAS:40843-25-2 {source="ChemIDplus"} xref: KEGG:C18716 xref: Pesticides:diclofop {source="Alan Wood's Pesticides"} xref: PMID:22770422 {source="Europe PMC"} xref: PMID:23785039 {source="Europe PMC"} xref: PMID:24240105 {source="Europe PMC"} xref: PMID:28884187 {source="Europe PMC"} xref: PMID:30375865 {source="Europe PMC"} xref: PPDB:764 xref: Reaxys:2338390 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:145403 ! (R)-diclofop relationship: has_part CHEBI:145404 ! (S)-diclofop relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:60575 ! phenoxy herbicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "326.01126" xsd:string [Term] id: CHEBI:81911 name: dimethachlor namespace: chebi_ontology def: "An organochlorine compound that is 2-chloroacetamide substituted by a 2-methoxyethyl and a 2,6-dimethylphenyl group at the nitrogen atom." [] subset: 3_STAR synonym: "2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:50563-36-5 {source="KEGG COMPOUND"} xref: CAS:50563-36-5 {source="ChemIDplus"} xref: CAS:50563-36-5 {source="NIST Chemistry WebBook"} xref: KEGG:C18718 xref: Pesticides:dimethachlor {source="Alan Wood's Pesticides"} xref: PMID:20632088 {source="Europe PMC"} xref: PMID:22961490 {source="Europe PMC"} xref: PMID:23374295 {source="Europe PMC"} xref: PPDB:239 xref: Reaxys:2982991 {source="Reaxys"} is_a: CHEBI:25698 ! ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SCCDDNKJYDZXMM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.74100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.10261" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCN(C(=O)CCl)c1c(C)cccc1C" xsd:string [Term] id: CHEBI:81912 name: Dimethipin namespace: chebi_ontology subset: 2_STAR synonym: "2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide" RELATED [KEGG_COMPOUND] xref: CAS:55290-64-7 {source="KEGG COMPOUND"} xref: KEGG:C18719 xref: PPDB:242 is_a: CHEBI:35850 ! sulfone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O4S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHVNLLCAQHGNKU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.27100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.00205" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C)S(=O)(=O)CCS1(=O)=O" xsd:string [Term] id: CHEBI:81915 name: Diphenamid namespace: chebi_ontology subset: 2_STAR xref: CAS:957-51-7 {source="KEGG COMPOUND"} xref: KEGG:C18722 xref: PPDB:255 is_a: CHEBI:51614 ! diarylmethane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H17NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAHFOPIILNICLA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.31230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.13101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)C(c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:81917 name: fenpropidin namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-fenpropidin. A systemic fungicide, it is used for the control of foliar diseases in cereals and sugar beet." [] subset: 3_STAR synonym: "(+-)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" RELATED [ChEBI] synonym: "(RS)-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" RELATED [ChEBI] synonym: "fenpropidine" RELATED [ChemIDplus] synonym: "Patrol" RELATED BRAND_NAME [ChemIDplus] synonym: "rac-1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" EXACT IUPAC_NAME [IUPAC] synonym: "Ro 12-3049" RELATED [ChemIDplus] synonym: "Ro-12-3049" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND91056129 {source="Europe PMC"} xref: CAS:67306-00-7 {source="KEGG COMPOUND"} xref: CAS:67306-00-7 {source="NIST Chemistry WebBook"} xref: CAS:67306-00-7 {source="ChemIDplus"} xref: KEGG:C18726 xref: Pesticides:fenpropidin {source="Alan Wood's Pesticides"} xref: PMID:22078112 {source="Europe PMC"} xref: PMID:2591378 {source="Europe PMC"} xref: PPDB:307 xref: Reaxys:1245248 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83293 ! (R)-fenpropidin relationship: has_part CHEBI:83294 ! (S)-fenpropidin relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:83317 ! sterol biosynthesis inhibitor relationship: has_role CHEBI:83319 ! EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.45610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.24565" xsd:string [Term] id: CHEBI:81920 name: flufenacet namespace: chebi_ontology def: "An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group." [] subset: 3_STAR synonym: "4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide" RELATED [Alan_Wood's_Pesticides] synonym: "N-(4-fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "Thiafluamide" RELATED [ChemIDplus] xref: CAS:142459-58-3 {source="KEGG COMPOUND"} xref: CAS:142459-58-3 {source="ChemIDplus"} xref: KEGG:C18731 xref: Patent:US2011152087 xref: Patent:US2011152089 xref: Patent:US2011160059 xref: Pesticides:flufenacet {source="Alan Wood's Pesticides"} xref: PMID:24007479 {source="Europe PMC"} xref: PPDB:331 xref: Reaxys:8787751 {source="Reaxys"} xref: Wikipedia:Flufenacet is_a: CHEBI:38099 ! thiadiazoles is_a: CHEBI:62733 ! aromatic amide is_a: CHEBI:83575 ! monofluorobenzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H13F4N3O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IANUJLZYFUDJIH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "363.33100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "363.06646" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:81922 name: flusilazole namespace: chebi_ontology def: "An organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops." [] subset: 3_STAR synonym: "1-[[bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole" RELATED [Alan_Wood's_Pesticides] synonym: "1-{[bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] synonym: "bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane" RELATED [Alan_Wood's_Pesticides] synonym: "di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane" RELATED [ChEBI] synonym: "DPX-H 6573" RELATED [NIST_Chemistry_WebBook] synonym: "flusilazol" RELATED [ChemIDplus] synonym: "Nustar" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND20337341 {source="Europe PMC"} xref: AGR:IND20616435 {source="Europe PMC"} xref: AGR:IND90014030 {source="Europe PMC"} xref: AGR:IND91021305 {source="Europe PMC"} xref: AGR:IND91051285 {source="Europe PMC"} xref: CAS:85509-19-9 {source="Alan Wood's Pesticides"} xref: CAS:85509-19-9 {source="KEGG COMPOUND"} xref: CAS:85509-19-9 {source="ChemIDplus"} xref: CAS:96827-34-8 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0039815 xref: KEGG:C18733 xref: Patent:EP68813 xref: Patent:US4510136 xref: Pesticides:flusilazole {source="Alan Wood's Pesticides"} xref: PMID:17187383 {source="Europe PMC"} xref: PMID:21238576 {source="Europe PMC"} xref: PMID:21290102 {source="Europe PMC"} xref: PMID:22382673 {source="Europe PMC"} xref: PMID:23657738 {source="Europe PMC"} xref: PMID:25149233 {source="Europe PMC"} xref: PPDB:350 xref: Reaxys:5824097 {source="Reaxys"} xref: Wikipedia:Flusilazole is_a: CHEBI:25713 ! organosilicon compound is_a: CHEBI:83575 ! monofluorobenzenes is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H15F2N3Si" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FQKUGOMFVDPBIZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "315.39270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "315.10033" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1" xsd:string [Term] id: CHEBI:81925 name: fomesafen namespace: chebi_ontology def: "An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya." [] subset: 3_STAR synonym: "5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide" RELATED [Alan_Wood's_Pesticides] synonym: "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamide" RELATED [Alan_Wood's_Pesticides] synonym: "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide" EXACT IUPAC_NAME [IUPAC] synonym: "5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamide" RELATED [ChEBI] synonym: "fomesafene" RELATED [ChEBI] xref: AGR:IND43973748 {source="Europe PMC"} xref: AGR:IND601309730 {source="Europe PMC"} xref: AGR:IND601311760 {source="Europe PMC"} xref: AGR:IND601311775 {source="Europe PMC"} xref: AGR:IND604817646 {source="Europe PMC"} xref: CAS:72178-02-0 {source="KEGG COMPOUND"} xref: CAS:72178-02-0 {source="ChemIDplus"} xref: CAS:72178-02-0 {source="Alan Wood's Pesticides"} xref: KEGG:C18736 xref: Pesticides:fomesafen {source="Alan Wood's Pesticides"} xref: PMID:19846192 {source="Europe PMC"} xref: PMID:21692513 {source="Europe PMC"} xref: PMID:22585392 {source="Europe PMC"} xref: PMID:22757645 {source="Europe PMC"} xref: PMID:24362514 {source="Europe PMC"} xref: PMID:24731936 {source="Europe PMC"} xref: PMID:25703508 {source="Europe PMC"} xref: PMID:26817647 {source="Europe PMC"} xref: PMID:27268304 {source="Europe PMC"} xref: PMID:28370968 {source="Europe PMC"} xref: PMID:28571854 {source="Europe PMC"} xref: PPDB:355 xref: Reaxys:8165046 {source="Reaxys"} is_a: CHEBI:33853 ! phenols is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:90852 ! N-sulfonylcarboxamide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:73192 ! EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor relationship: is_conjugate_acid_of CHEBI:138163 ! fomesafen(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10ClF3N2O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BGZZWXTVIYUUEY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "438.765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "437.99002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)NS(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F" xsd:string [Term] id: CHEBI:81927 name: enilconazole namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches." [] subset: 3_STAR synonym: "(+-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole" RELATED [HMDB] synonym: "(+-)-enilconazole" RELATED [ChEBI] synonym: "(RS)-enilconazole" RELATED [ChEBI] synonym: "1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole" RELATED [HMDB] synonym: "Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether" RELATED [HMDB] synonym: "Chloramizol" RELATED [NIST_Chemistry_WebBook] synonym: "chloramizole" RELATED [ChEBI] synonym: "enilconazol" RELATED INN [WHO_MedNet] synonym: "enilconazole" RELATED INN [WHO_MedNet] synonym: "enilconazole" RELATED INN [KEGG_DRUG] synonym: "enilconazolum" RELATED INN [WHO_MedNet] synonym: "Imazalil" RELATED [KEGG_COMPOUND] synonym: "R 23,979" RELATED [ChemIDplus] synonym: "R 23979" RELATED [ChemIDplus] synonym: "rac-1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole" EXACT IUPAC_NAME [IUPAC] synonym: "rac-enilconazole" RELATED [ChEBI] synonym: "racemic enilconazole" RELATED [ChEBI] xref: CAS:35554-44-0 {source="KEGG COMPOUND"} xref: CAS:35554-44-0 {source="NIST Chemistry WebBook"} xref: CAS:35554-44-0 {source="ChemIDplus"} xref: HMDB:HMDB0031794 xref: KEGG:C18739 xref: KEGG:D03997 xref: Pesticides:imazalil {source="Alan Wood's Pesticides"} xref: PMID:23813824 {source="Europe PMC"} xref: PMID:23952944 {source="Europe PMC"} xref: PMID:24039133 {source="Europe PMC"} xref: PMID:24123539 {source="Europe PMC"} xref: PMID:24334985 {source="Europe PMC"} xref: Reaxys:545683 {source="Reaxys"} xref: Wikipedia:Enilconazole is_a: CHEBI:60911 ! racemate is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87068 ! imidazole fungicide is_a: CHEBI:87069 ! imidazole antifungal drug is_a: CHEBI:87071 ! conazole antifungal drug relationship: has_part CHEBI:83830 ! (S)-enilconazole relationship: has_part CHEBI:83831 ! (R)-enilconazole relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.18000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.04832" xsd:string [Term] id: CHEBI:81934 name: nabam namespace: chebi_ontology def: "A dithiocarbamate salt that is the disodium salt of ethylenebis(dithiocarbamic acid). A fungicide, algicide and bactericide used on various crops including on cotton, capsicums, onions and rice crops, it is considered to be a carcinogen, so is not licensed for use within the European Union. Mixing nabam with zinc sulfate affords the fungicide zineb." [] subset: 3_STAR synonym: "1,2-ethanediylbiscarbamodithioic acid disodium salt" RELATED [ChemIDplus] synonym: "Di-natrium-aethylenbisdithiocarbamat" RELATED [ChemIDplus] synonym: "Dinatrium-(N,N'-aethylen-bis(dithiocarbamat))" RELATED [ChemIDplus] synonym: "disodium ethane-1,2-diyldicarbamodithioate" EXACT IUPAC_NAME [IUPAC] synonym: "disodium ethylene-1,2-bisdithiocarbamate" RELATED [ChemIDplus] synonym: "disodium ethylenebis(dithiocarbamate)" RELATED [Alan_Wood's_Pesticides] synonym: "disodium N,N'-1,2-ethanediylbis(carbamodithioate)" RELATED [Alan_Wood's_Pesticides] synonym: "disodium N,N'-ethane-1,2-diyldicarbamodithioate" RELATED [Alan_Wood's_Pesticides] synonym: "Dithane A-40" RELATED BRAND_NAME [ChemIDplus] synonym: "N,N'-ethylene bis(dithiocarbamate de sodium)" RELATED [ChemIDplus] synonym: "nabame" RELATED [Alan_Wood's_Pesticides] synonym: "Parzate" RELATED BRAND_NAME [ChemIDplus] synonym: "sodium ethylenebis(dithiocarbamate)" RELATED [ChemIDplus] synonym: "Spring-bak" RELATED BRAND_NAME [ChemIDplus] xref: CAS:142-59-6 {source="Alan Wood's Pesticides"} xref: CAS:142-59-6 {source="KEGG COMPOUND"} xref: CAS:142-59-6 {source="ChemIDplus"} xref: HMDB:HMDB0031224 xref: KEGG:C18748 xref: Patent:US1504404 xref: Patent:US2317765 xref: Pesticides:nabam {source="Alan Wood's Pesticides"} xref: PMID:1161698 {source="Europe PMC"} xref: PMID:17797593 {source="Europe PMC"} xref: PMID:18966479 {source="Europe PMC"} xref: PMID:1904852 {source="Europe PMC"} xref: PMID:1929852 {source="Europe PMC"} xref: PMID:23799268 {source="Europe PMC"} xref: PPDB:479 is_a: CHEBI:38700 ! organic sodium salt is_a: CHEBI:83060 ! dithiocarbamate salt relationship: has_part CHEBI:77308 ! ethylenebis(dithiocarbamate) relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2Na2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UQJQVUOTMVCFHX-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.34300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.92092" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S" xsd:string [Term] id: CHEBI:81935 name: nitrapyrin namespace: chebi_ontology def: "A chloropyridine that is 2-chloropyridine which is substituted by a trichloromethyl group at position 6. It is a nitrification inhibitor that is co-applied with nitrogen fertilizer in agroecosystems." [] subset: 3_STAR synonym: "2-chloro-6-(trichloromethyl)pyridine" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,alpha,alpha,6-tetrachloro-2-picoline" RELATED [MetaCyc] synonym: "Dowco-163" RELATED BRAND_NAME [ChemIDplus] synonym: "N-Serve" RELATED BRAND_NAME [ChemIDplus] synonym: "N-Serve nitrogen stabilizer" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND22022387 {source="Europe PMC"} xref: AGR:IND23320247 {source="Europe PMC"} xref: AGR:IND43720278 {source="Europe PMC"} xref: AGR:IND44319834 {source="Europe PMC"} xref: AGR:IND601141573 {source="Europe PMC"} xref: AGR:IND605403670 {source="Europe PMC"} xref: AGR:IND605964521 {source="Europe PMC"} xref: AGR:IND79018001 {source="Europe PMC"} xref: AGR:IND91011794 {source="Europe PMC"} xref: CAS:1929-82-4 {source="ChemIDplus"} xref: CAS:1929-82-4 {source="NIST Chemistry WebBook"} xref: KEGG:C18751 xref: MetaCyc:NITRAPYRIN xref: Pesticides:nitrapyrin {source="Alan Wood's Pesticides"} xref: PMID:14535319 {source="Europe PMC"} xref: PMID:16346465 {source="Europe PMC"} xref: PMID:16346799 {source="Europe PMC"} xref: PMID:18367300 {source="Europe PMC"} xref: PMID:28481923 {source="Europe PMC"} xref: PMID:29732772 {source="Europe PMC"} xref: PMID:30373060 {source="Europe PMC"} xref: PMID:31589683 {source="Europe PMC"} xref: PMID:31589718 {source="Europe PMC"} xref: PMID:31796286 {source="Europe PMC"} xref: PMID:8941709 {source="Europe PMC"} xref: PPDB:1200 xref: Reaxys:1618997 {source="Reaxys"} xref: Wikipedia:Nitrapyrin is_a: CHEBI:39173 ! chloropyridine relationship: has_role CHEBI:148436 ! nitrification inhibitor relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:33286 ! agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3Cl4N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCUJJWWUNKIJPH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.90196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C(C=C1)Cl)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:81936 name: octhilinone namespace: chebi_ontology def: "A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union." [] subset: 3_STAR synonym: "2-n-Octyl-4-isothiazolin-3-one" RELATED [ChemIDplus] synonym: "2-octyl-1,2-thiazol-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-octyl-2H-isothiazol-3-one" RELATED [NIST_Chemistry_WebBook] synonym: "2-Octyl-3(2H)-isothiazolone" RELATED [ChemIDplus] synonym: "2-Octyl-3-isothiazolinone" RELATED [NIST_Chemistry_WebBook] synonym: "2-Octyl-3-isothiazolone" RELATED [NIST_Chemistry_WebBook] synonym: "2-Octyl-3-isothioazolone" RELATED [NIST_Chemistry_WebBook] synonym: "2-Octyl-4-isothiazolin-3-one" RELATED [ChemIDplus] synonym: "Octyl-3(2H)-isothiazolone" RELATED [NIST_Chemistry_WebBook] synonym: "Octyl-4-isothiazol-3-one" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND87046906 {source="Europe PMC"} xref: CAS:26530-20-1 {source="KEGG COMPOUND"} xref: CAS:26530-20-1 {source="ChemIDplus"} xref: KEGG:C18752 xref: Pesticides:octhilinone {source="Alan Wood's Pesticides"} xref: PMID:20960358 {source="Europe PMC"} xref: PMID:23182288 {source="Europe PMC"} xref: PPDB:489 xref: Reaxys:1211137 {source="Reaxys"} is_a: CHEBI:48902 ! 1,2-thiazoles relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H19NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPMIIZHYYWMHDT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "213.34000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "213.11874" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCn1sccc1=O" xsd:string [Term] id: CHEBI:81938 name: captafol namespace: chebi_ontology def: "A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community." [] subset: 3_STAR synonym: "(tetrachloroethylthio)tetrahydrophthalimide" RELATED [NIST_Chemistry_WebBook] synonym: "1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide" RELATED [ChemIDplus] synonym: "2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione" RELATED [ChemIDplus] synonym: "3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide" RELATED [ChemIDplus] synonym: "Captaspor" RELATED BRAND_NAME [ChemIDplus] synonym: "Difolatan" RELATED BRAND_NAME [ChemIDplus] synonym: "Difosan" RELATED BRAND_NAME [ChemIDplus] synonym: "Folcid" RELATED BRAND_NAME [ChemIDplus] synonym: "Haipen" RELATED BRAND_NAME [ChemIDplus] synonym: "Kenofol" RELATED BRAND_NAME [ChemIDplus] synonym: "Merpafol" RELATED BRAND_NAME [ChemIDplus] synonym: "N-(1,1,2,2-tetrachloroethylthio)-Delta(4)-tetrahydrophthalimide" RELATED [NIST_Chemistry_WebBook] synonym: "N-1,1,2,2-tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide" RELATED [ChemIDplus] synonym: "N-[(1,1,2,2-tetrachloroethyl)sulfenyl]-4-cyclohexene-1,2-dicarboximide" RELATED [ChEBI] synonym: "Sanspor" RELATED BRAND_NAME [ChemIDplus] synonym: "Terrazol" RELATED BRAND_NAME [ChemIDplus] xref: CAS:2425-06-1 {source="KEGG COMPOUND"} xref: CAS:2425-06-1 {source="NIST Chemistry WebBook"} xref: CAS:2425-06-1 {source="ChemIDplus"} xref: HMDB:HMDB0031669 xref: KEGG:C18754 xref: Patent:BE633205 xref: Pesticides:captafol {source="Alan Wood's Pesticides"} xref: PMID:159800 {source="Europe PMC"} xref: PMID:1842583 {source="Europe PMC"} xref: PMID:21822319 {source="Europe PMC"} xref: PMID:8426061 {source="Europe PMC"} xref: PPDB:113 xref: Reaxys:1543712 {source="Reaxys"} xref: Reaxys:234872 {source="Reaxys"} xref: Wikipedia:Captafol is_a: CHEBI:24897 ! isoindoles is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:87198 ! phthalimide fungicide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9Cl4NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHRWWRDRBPCWTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "349.06100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "346.91081" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O" xsd:string [Term] id: CHEBI:81939 name: Pebulate namespace: chebi_ontology subset: 2_STAR xref: CAS:1114-71-2 {source="KEGG COMPOUND"} xref: KEGG:C18755 xref: PPDB:508 is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H21NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGEJQUSYQTVSIU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "203.34500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "203.13439" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCN(CC)C(=O)SCCC" xsd:string [Term] id: CHEBI:81941 name: prosulfocarb namespace: chebi_ontology def: "A monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom." [] subset: 3_STAR synonym: "S-benzyl dipropylcarbamothioate" EXACT IUPAC_NAME [IUPAC] xref: CAS:52888-80-9 {source="KEGG COMPOUND"} xref: CAS:52888-80-9 {source="ChemIDplus"} xref: KEGG:C18760 xref: Patent:US2011152098 xref: Patent:WO2011075562 xref: Pesticides:prosulfocarb {source="Alan Wood's Pesticides"} xref: PMID:23180504 {source="Europe PMC"} xref: PMID:23423954 {source="Europe PMC"} xref: PPDB:557 xref: Reaxys:4804364 {source="Reaxys"} is_a: CHEBI:22712 ! benzenes is_a: CHEBI:38128 ! monothiocarbamic ester relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H21NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQLVQOSNDJXLKG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "251.38800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "251.13439" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCC)C(=O)SCc1ccccc1" xsd:string [Term] id: CHEBI:81945 name: sulfluramid namespace: chebi_ontology def: "A sulfonamide obtained by the formal condensation of perfluorooctane-1-sulfonic acid with ethylamine." [] subset: 3_STAR synonym: "N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-ethylperfluorooctane-1-sulfonamide" RELATED [Alan_Wood's_Pesticides] synonym: "N-Ethylperfluorooctylsulfonamide" RELATED [ChemIDplus] xref: CAS:4151-50-2 {source="KEGG COMPOUND"} xref: CAS:4151-50-2 {source="ChemIDplus"} xref: KEGG:C18766 xref: Pesticides:sulfluramid {source="Alan Wood's Pesticides"} xref: PMID:1495031 {source="Europe PMC"} xref: PMID:15713031 {source="Europe PMC"} xref: PMID:1673400 {source="Europe PMC"} xref: PMID:2324377 {source="Europe PMC"} xref: PPDB:602 xref: Reaxys:2317462 {source="Reaxys"} is_a: CHEBI:35358 ! sulfonamide relationship: has_functional_parent CHEBI:15862 ! ethylamine relationship: has_functional_parent CHEBI:39421 ! perfluorooctane-1-sulfonic acid relationship: has_role CHEBI:22153 ! acaricide relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6F17NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCEKAJIANROZEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "527.19800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "526.98478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:81947 name: terbumeton namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N-tert-butyl-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "2-(tert-butylamino)-4-(ethylamino)-6-methoxy-s--triazine" RELATED [ChemIDplus] synonym: "N(2)-tert-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" RELATED [Alan_Wood's_Pesticides] synonym: "N-(1,1-dimethylethyl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" RELATED [ChemIDplus] synonym: "N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "terbuthylon" RELATED [NIST_Chemistry_WebBook] xref: CAS:33693-04-8 {source="KEGG COMPOUND"} xref: CAS:33693-04-8 {source="ChemIDplus"} xref: CAS:33693-04-8 {source="NIST Chemistry WebBook"} xref: KEGG:C18768 xref: Patent:EA003143 xref: Pesticides:terbumeton {source="Alan Wood's Pesticides"} xref: PMID:16674993 {source="Europe PMC"} xref: PMID:24607694 {source="Europe PMC"} xref: PMID:25365583 {source="Europe PMC"} xref: PPDB:622 xref: Reaxys:520400 {source="Reaxys"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38177 ! methoxy-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BCQMBFHBDZVHKU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.29080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.15896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NC(C)(C)C)nc(OC)n1" xsd:string [Term] id: CHEBI:81950 name: Ammonium sulfamate namespace: chebi_ontology subset: 2_STAR xref: CAS:7773-06-0 {source="KEGG COMPOUND"} xref: KEGG:C18773 xref: PPDB:35 is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H6N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GEHMBYLTCISYNY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.12400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.00991" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH4+].NS([O-])(=O)=O" xsd:string [Term] id: CHEBI:81953 name: chlorimuron namespace: chebi_ontology def: "An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a (2-carboxyphenyl)sulfonyl group, while the other has been substituted by a 4-chloro-6-methoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding ethyl ester) as a herbicide." [] subset: 3_STAR synonym: "2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoic acid" RELATED [Alan_Wood's_Pesticides] synonym: "2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid" RELATED [Alan_Wood's_Pesticides] synonym: "2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:99283-00-8 {source="ChemIDplus"} xref: CAS:99283-00-8 {source="Alan Wood's Pesticides"} xref: CAS:99283-00-8 {source="KEGG COMPOUND"} xref: KEGG:C18777 xref: Pesticides:chlorimuron {source="Alan Wood's Pesticides"} xref: PPDB:3031 xref: Reaxys:7779120 {source="Reaxys"} is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38656 ! organochlorine pesticide is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:48471 ! sulfamoylbenzoate is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:22180 ! EC 2.2.1.6 (acetolactate synthase) inhibitor relationship: has_role CHEBI:24527 ! herbicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H11ClN4O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RIUXZHMCCFLRBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "386.769" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "386.00878" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(N=C(N=C1OC)NC(NS(C2=C(C=CC=C2)C(O)=O)(=O)=O)=O)Cl" xsd:string [Term] id: CHEBI:81955 name: Cycloate namespace: chebi_ontology subset: 2_STAR xref: CAS:1134-23-2 {source="KEGG COMPOUND"} xref: KEGG:C18780 xref: PPDB:188 is_a: CHEBI:17062 ! primary aliphatic amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H21NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFCAFRGABIXSDS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "215.35600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.13439" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCSC(=O)N(CC)C1CCCCC1" xsd:string [Term] id: CHEBI:81978 name: Tri-allate namespace: chebi_ontology subset: 2_STAR synonym: "Triallate" RELATED [KEGG_COMPOUND] xref: CAS:2303-17-5 {source="KEGG COMPOUND"} xref: KEGG:C18813 xref: LINCS:LSM-25662 xref: PPDB:650 is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16Cl3NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWBPRDONLNQCFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.66400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.00182" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl" xsd:string [Term] id: CHEBI:81981 name: chlorotoluron namespace: chebi_ontology alt_id: CHEBI:83570 def: "A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms." [] subset: 3_STAR synonym: "3-(3-chloro-4-methylphenyl)-1,1-dimethylurea" EXACT IUPAC_NAME [IUPAC] synonym: "3-(3-chloro-p-tolyl)-1,1-dimethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "chlorotoluron" EXACT [UniProt] synonym: "chlortoluron" RELATED [NIST_Chemistry_WebBook] synonym: "N'-(3-chloro-4-methylphenyl)-N,N-dimethylurea" RELATED [Alan_Wood's_Pesticides] xref: CAS:15545-48-9 {source="NIST Chemistry WebBook"} xref: CAS:15545-48-9 {source="ChemIDplus"} xref: CAS:15545-48-9 {source="KEGG COMPOUND"} xref: KEGG:C18817 xref: Pesticides:chlorotoluron {source="Alan Wood's Pesticides"} xref: PMID:22927226 {source="Europe PMC"} xref: PMID:23819841 {source="Europe PMC"} xref: PMID:24485315 {source="Europe PMC"} xref: PPDB:151 xref: Reaxys:2647688 {source="Reaxys"} xref: Wikipedia:Chlortoluron is_a: CHEBI:134043 ! phenylureas is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H13ClN2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXCGFZXSOMJFOA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.67600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.07164" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)Nc1ccc(C)c(Cl)c1" xsd:string [Term] id: CHEBI:81990 name: ethofumesate namespace: chebi_ontology def: "A racemate comprising of equimolar amounts of (S)- and (R)-ethofumesate." [] subset: 3_STAR synonym: "(+-)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate" RELATED [NIST_Chemistry_WebBook] synonym: "(RS)-2-ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulfonate" RELATED [Alan_Wood's_Pesticides] synonym: "rac-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate" EXACT IUPAC_NAME [IUPAC] xref: CAS:26225-79-6 {source="KEGG COMPOUND"} xref: CAS:26225-79-6 {source="NIST Chemistry WebBook"} xref: CAS:26225-79-6 {source="ChemIDplus"} xref: KEGG:C18829 xref: Patent:US2011245081 xref: Patent:US7915199 xref: Pesticides:ethofumesate {source="Alan Wood's Pesticides"} xref: PMID:11409984 {source="Europe PMC"} xref: PMID:16660411 {source="Europe PMC"} xref: PMID:25048902 {source="Europe PMC"} xref: Reaxys:5759730 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83769 ! (S)-ethofumesate relationship: has_part CHEBI:83770 ! (R)-ethofumesate relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:82012 name: fluometuron namespace: chebi_ontology def: "A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a 3-(trifluoromethyl)phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of broadleaf weeds and annual grasses in cotton." [] subset: 3_STAR synonym: "1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea" RELATED [Alan_Wood's_Pesticides] synonym: "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea" EXACT IUPAC_NAME [IUPAC] synonym: "C 2059" RELATED [ChemIDplus] synonym: "Ciba 2059" RELATED [ChemIDplus] synonym: "Cotogard" RELATED BRAND_NAME [ChemIDplus] synonym: "Cotoran" RELATED BRAND_NAME [ChemIDplus] synonym: "Cottonex" RELATED BRAND_NAME [ChemIDplus] synonym: "fluometuron" EXACT [UniProt] synonym: "herbicide C-2059" RELATED [ChemIDplus] synonym: "Higalcoton" RELATED BRAND_NAME [ChemIDplus] synonym: "Lanex" RELATED BRAND_NAME [ChemIDplus] synonym: "N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]urea" RELATED [IUPAC] synonym: "N-(m-trifluoromethylphenyl)-N',N'-dimethylurea" RELATED [ChemIDplus] synonym: "N-(meta-trifluoromethylphenyl)-N,N'-dimethylurea" RELATED [ChemIDplus] synonym: "Pakhtaran" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND21963329 {source="Europe PMC"} xref: AGR:IND23242470 {source="Europe PMC"} xref: AGR:IND23259860 {source="Europe PMC"} xref: AGR:IND23265146 {source="Europe PMC"} xref: AGR:IND23309858 {source="Europe PMC"} xref: AGR:IND23328937 {source="Europe PMC"} xref: AGR:IND43726769 {source="Europe PMC"} xref: AGR:IND43952632 {source="Europe PMC"} xref: AGR:IND43960254 {source="Europe PMC"} xref: AGR:IND44774971 {source="Europe PMC"} xref: AGR:IND601309267 {source="Europe PMC"} xref: AGR:IND601309285 {source="Europe PMC"} xref: AGR:IND601311640 {source="Europe PMC"} xref: CAS:2164-17-2 {source="NIST Chemistry WebBook"} xref: CAS:2164-17-2 {source="ChemIDplus"} xref: Chemspider:15702 xref: KEGG:C18853 xref: MetaCyc:CPD-23257 xref: Pesticides:fluometuron {source="Alan Wood's Pesticides"} xref: PMID:1384777 {source="Europe PMC"} xref: PMID:15488576 {source="Europe PMC"} xref: PMID:15537934 {source="Europe PMC"} xref: PMID:17165123 {source="Europe PMC"} xref: PMID:17263484 {source="Europe PMC"} xref: PMID:17604822 {source="Europe PMC"} xref: PMID:17760353 {source="Europe PMC"} xref: PMID:18729373 {source="Europe PMC"} xref: PMID:19356113 {source="Europe PMC"} xref: PMID:20545302 {source="Europe PMC"} xref: PMID:22023336 {source="Europe PMC"} xref: PMID:32626105 {source="Europe PMC"} xref: PMID:7571346 {source="Europe PMC"} xref: PPDB:336 xref: Reaxys:2217354 {source="Reaxys"} xref: Wikipedia:Fluometuron is_a: CHEBI:157693 ! 3-(3,4-substituted-phenyl)-1,1-dimethylurea is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:26089 ! photosystem-II inhibitor relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11F3N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZILCCPWPBTYDO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.08235" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F" xsd:string [Term] id: CHEBI:82017 name: fluroxypyr namespace: chebi_ontology def: "An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2." [] subset: 3_STAR synonym: "[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:69377-81-7 {source="ChemIDplus"} xref: CAS:69377-81-7 {source="NIST Chemistry WebBook"} xref: CAS:69377-81-7 {source="KEGG COMPOUND"} xref: KEGG:C18858 xref: Pesticides:fluroxypyr {source="Alan Wood's Pesticides"} xref: PMID:23128745 {source="Europe PMC"} xref: PMID:24719846 {source="Europe PMC"} xref: PMID:25205153 {source="Europe PMC"} xref: PPDB:347 xref: Reaxys:7136185 {source="Reaxys"} xref: Wikipedia:Fluroxypyr is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:38207 ! aminopyridine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5Cl2FN2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFQWPUMEMWTJP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.03100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "253.96613" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl" xsd:string [Term] id: CHEBI:82019 name: folpet namespace: chebi_ontology def: "A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s." [] subset: 3_STAR synonym: "2-[(trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Acryptan" RELATED BRAND_NAME [ChemIDplus] synonym: "Cosan I" RELATED BRAND_NAME [ChemIDplus] synonym: "Faltan" RELATED BRAND_NAME [ChemIDplus] synonym: "Faltex" RELATED BRAND_NAME [ChemIDplus] synonym: "folpel" RELATED [ChemIDplus] synonym: "N-(Trichlor-methylthio)-phthalamid" RELATED [ChemIDplus] synonym: "N-(trichloromethanesulfenyl)phthalimide" RELATED [ChEBI] synonym: "N-(trichloromethanesulphenyl)phthalimide" RELATED [ChemIDplus] synonym: "N-(trichloromethylthio)phthalimide" RELATED [ChemIDplus] synonym: "Orthophaltan" RELATED BRAND_NAME [ChemIDplus] synonym: "Phthaltan" RELATED BRAND_NAME [ChemIDplus] synonym: "trichloromethylthiophthalimide" RELATED [ChemIDplus] xref: CAS:133-07-3 {source="NIST Chemistry WebBook"} xref: CAS:133-07-3 {source="KEGG COMPOUND"} xref: CAS:133-07-3 {source="ChemIDplus"} xref: HMDB:HMDB0031792 xref: KEGG:C18860 xref: Patent:US2553770 xref: Pesticides:folpet {source="Alan Wood's Pesticides"} xref: PMID:10725173 {source="Europe PMC"} xref: PMID:12909534 {source="Europe PMC"} xref: PMID:20569196 {source="Europe PMC"} xref: PMID:21381057 {source="Europe PMC"} xref: PMID:21381058 {source="Europe PMC"} xref: PMID:22180346 {source="Europe PMC"} xref: PMID:3771451 {source="Europe PMC"} xref: PPDB:354 xref: Reaxys:193373 {source="Reaxys"} is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:87198 ! phthalimide fungicide relationship: has_functional_parent CHEBI:38817 ! phthalimide relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H4Cl3NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKIOYBQGHSTUDB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.55800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "294.90283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O" xsd:string [Term] id: CHEBI:82023 name: iprovalicarb namespace: chebi_ontology def: "A diastereoisomeric mixture comprising equimolar amounts of L-(R)- and L-(S)-iprovalicarb. It is a systemic fungicide, specific to oomycetes, used on potatoes and grape vines." [] subset: 3_STAR synonym: "1-methylethyl N-[(1S)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]carbamate" RELATED [Alan_Wood's_Pesticides] synonym: "isopropyl [(1S)-2-methyl-1-{[(1RS)-1-p-tolylethyl]carbamoyl}propyl]carbamate" RELATED [Alan_Wood's_Pesticides] xref: CAS:140923-17-7 {source="KEGG COMPOUND"} xref: KEGG:C18866 xref: Pesticides:iprovalicarb {source="Alan Wood's Pesticides"} xref: PMID:15084099 {source="Europe PMC"} xref: PMID:15506800 {source="Europe PMC"} xref: PMID:19330276 {source="Europe PMC"} xref: PMID:20932164 {source="Europe PMC"} xref: PMID:21591740 {source="Europe PMC"} xref: PPDB:404 xref: Reaxys:11327120 {source="Reaxys"} is_a: CHEBI:60915 ! diastereoisomeric mixture is_a: CHEBI:87029 ! valinamide fungicide is_a: CHEBI:87061 ! carbamate fungicide relationship: has_part CHEBI:83590 ! L-(R)-iprovalicarb relationship: has_part CHEBI:83591 ! L-(S)-iprovalicarb relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWUWYYSKZYIQAE-WMCAAGNKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.42650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.20999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccc(C)cc1" xsd:string [Term] id: CHEBI:82025 name: napropamide namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (S)- and (R)-napropamide." [] subset: 3_STAR synonym: "(RS)-N,N-diethyl-2-(1-naphthyloxy)propionamide" RELATED [Alan_Wood's_Pesticides] synonym: "2-(alpha-naphthoxy)-N,N-Diethylpropionamide" RELATED [NIST_Chemistry_WebBook] synonym: "rac-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:15299-99-7 {source="KEGG COMPOUND"} xref: CAS:15299-99-7 {source="NIST Chemistry WebBook"} xref: CAS:15299-99-7 {source="ChemIDplus"} xref: KEGG:C18868 xref: Pesticides:napropamide {source="Alan Wood's Pesticides"} xref: PMID:20143852 {source="Europe PMC"} xref: PMID:22251214 {source="Europe PMC"} xref: PMID:23784054 {source="Europe PMC"} xref: PMID:24436218 {source="Europe PMC"} xref: Reaxys:2217870 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83772 ! (R)-napropamide relationship: has_part CHEBI:83773 ! (S)-napropamide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:82029 name: Oxyfluorfen namespace: chebi_ontology subset: 2_STAR xref: CAS:42874-03-3 {source="KEGG COMPOUND"} xref: KEGG:C18881 xref: PPDB:502 is_a: CHEBI:35618 ! aromatic ether relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:73192 ! EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11ClF3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OQMBBFQZGJFLBU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "361.70000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.03287" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O" xsd:string [Term] id: CHEBI:82033 name: propamocarb namespace: chebi_ontology def: "A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species." [] subset: 3_STAR synonym: "propamocarbe" RELATED [ChemIDplus] synonym: "Propyl (3-(dimethylamino)propyl)carbamate" RELATED [ChemIDplus] synonym: "propyl 3-(dimethylamino)propylcarbamate" RELATED [Alan_Wood's_Pesticides] synonym: "propyl [3-(dimethylamino)propyl]carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "propyl N-[3-(dimethylamino)propyl]carbamate" RELATED [Alan_Wood's_Pesticides] xref: CAS:24579-73-5 {source="NIST Chemistry WebBook"} xref: CAS:24579-73-5 {source="ChemIDplus"} xref: CAS:24579-73-5 {source="KEGG COMPOUND"} xref: KEGG:C18885 xref: Patent:BE708057 xref: Patent:EP1254894 xref: Patent:US3649674 xref: Pesticides:propamocarb {source="Alan Wood's Pesticides"} xref: PMID:14985943 {source="Europe PMC"} xref: PMID:15204535 {source="Europe PMC"} xref: PMID:22699710 {source="Europe PMC"} xref: PMID:24791956 {source="Europe PMC"} xref: PPDB:1546 xref: Reaxys:2080745 {source="Reaxys"} xref: Wikipedia:Propamocarb is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:87061 ! carbamate fungicide relationship: has_functional_parent CHEBI:28831 ! propan-1-ol relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H20N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WZZLDXDUQPOXNW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "188.26730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "188.15248" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCOC(=O)NCCCN(C)C" xsd:string [Term] id: CHEBI:82034 name: propaquizafop namespace: chebi_ontology def: "A quinoxaline derivative used as systemic herbicide for annual and perennial grasses." [] subset: 3_STAR synonym: "2-[(propan-2-ylideneamino)oxy]ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2-[[(1-methylethylidene)amino]oxy]ethyl (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoate" RELATED [Alan_Wood's_Pesticides] synonym: "2-isopropylideneaminooxyethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate" RELATED [Alan_Wood's_Pesticides] xref: AGR:IND44386841 {source="Europe PMC"} xref: AGR:IND93000118 {source="Europe PMC"} xref: CAS:111479-05-1 {source="ChemIDplus"} xref: CAS:111479-05-1 {source="KEGG COMPOUND"} xref: KEGG:C18886 xref: Patent:EP2243362 xref: Patent:EP2243363 xref: Patent:WO2010017929 xref: Pesticides:propaquizafop {source="Alan Wood's Pesticides"} xref: PMID:15149135 {source="Europe PMC"} xref: PPDB:546 xref: Reaxys:9805275 {source="Reaxys"} is_a: CHEBI:33308 ! carboxylic ester is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:36816 ! oxime O-ether is_a: CHEBI:38771 ! quinoxaline derivative relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H22ClN3O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FROBCXTULYFHEJ-OAHLLOKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "443.88000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "443.12480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C" xsd:string [Term] id: CHEBI:82043 name: tebutam namespace: chebi_ontology def: "A monocarboxylic acid amide that is propanamide substituted by a benzyl and an isopropyl group at the nitrogen atom and two methyl groups at position 2. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "Butam" RELATED [KEGG_COMPOUND] synonym: "N-benzyl-2,2-dimethyl-N-(propan-2-yl)propanamide" EXACT IUPAC_NAME [IUPAC] synonym: "N-benzyl-N-isopropylpivalamide" RELATED [Alan_Wood's_Pesticides] synonym: "N-Benzyl-N-isopropyltrimethylacetamide" RELATED [ChemIDplus] xref: AGR:IND86014658 {source="Europe PMC"} xref: CAS:35256-85-0 {source="ChemIDplus"} xref: CAS:35256-85-0 {source="NIST Chemistry WebBook"} xref: CAS:35256-85-0 {source="KEGG COMPOUND"} xref: KEGG:C18896 xref: Patent:EP0110660 xref: Patent:US4456472 xref: Pesticides:tebutam {source="Alan Wood's Pesticides"} xref: PPDB:613 is_a: CHEBI:29347 ! monocarboxylic acid amide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H23NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJKCKKDSSSRYCB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.34920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.17796" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C" xsd:string [Term] id: CHEBI:82076 name: anilazine namespace: chebi_ontology def: "A member of the class of triazenes that is dichlorotriazene in which the hydrogen is replaced by an o-chloroanilino group. A fungicide formerly used to control leaf spots and downy mildew, it is no longer approved for use within the European Union." [] subset: 3_STAR synonym: "(o-chloroanilino)dichlorotriazine" RELATED [ChemIDplus] synonym: "2,4-dichloro-6-(2-chloroanilino)-1,3,5-triazine" RELATED [ChemIDplus] synonym: "2,4-dichloro-6-(o-chloroanilino)-s-triazine" RELATED [ChemIDplus] synonym: "2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin" RELATED [ChemIDplus] synonym: "2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline" RELATED [ChemIDplus] synonym: "4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "anilazin" RELATED [ChemIDplus] synonym: "Aniyaline" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Dairene" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Dyrene" RELATED BRAND_NAME [ChemIDplus] synonym: "Kemate" RELATED BRAND_NAME [ChemIDplus] synonym: "Triasym" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Triasyn" RELATED BRAND_NAME [NIST_Chemistry_WebBook] synonym: "Zinochlor" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND91056136 {source="Europe PMC"} xref: CAS:101-05-3 {source="NIST Chemistry WebBook"} xref: CAS:101-05-3 {source="ChemIDplus"} xref: CAS:101-05-3 {source="KEGG COMPOUND"} xref: KEGG:C18935 xref: Patent:US2720480 xref: Patent:US2820032 xref: Patent:US3074946 xref: Pesticides:anilazine {source="Alan Wood's Pesticides"} xref: PMID:4682330 {source="Europe PMC"} xref: PMID:6108427 {source="Europe PMC"} xref: PMID:9066850 {source="Europe PMC"} xref: PPDB:39 xref: Reaxys:223133 {source="Reaxys"} xref: Wikipedia:Anilazine is_a: CHEBI:38102 ! triazines is_a: CHEBI:38656 ! organochlorine pesticide is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H5Cl3N4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IMHBYKMAHXWHRP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.52200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.95798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1Nc1nc(Cl)nc(Cl)n1" xsd:string [Term] id: CHEBI:82100 name: Isodrin namespace: chebi_ontology subset: 2_STAR xref: CAS:465-73-6 {source="KEGG COMPOUND"} xref: KEGG:C18961 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8Cl6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6-,7+,10+,11+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QBYJBZPUGVGKQQ-KCHUEWMZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.91000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "361.87572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl" xsd:string [Term] id: CHEBI:82111 name: Crufomate namespace: chebi_ontology subset: 2_STAR xref: CAS:299-86-5 {source="KEGG COMPOUND"} xref: KEGG:C18972 xref: KEGG:D03610 xref: VSDB:1276 is_a: CHEBI:38976 ! alkylbenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H19ClNO3P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BOFHKBLZOYVHSI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.71100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.07911" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C" xsd:string [Term] id: CHEBI:82125 name: Fenchlorphos namespace: chebi_ontology subset: 2_STAR synonym: "Fenclofos" RELATED [KEGG_COMPOUND] synonym: "Ronnel" RELATED [KEGG_COMPOUND] xref: CAS:299-84-3 {source="KEGG COMPOUND"} xref: KEGG:C18986 xref: KEGG:D05753 xref: PPDB:1228 xref: VSDB:1228 is_a: CHEBI:37512 ! organic thiophosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8Cl3O3PS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHJOOSLFWRRSGU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "321.54500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "319.89974" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:82149 name: TEPP namespace: chebi_ontology subset: 2_STAR synonym: "Tetraethyl pyrophosphate" RELATED [KEGG_COMPOUND] xref: CAS:107-49-3 {source="KEGG COMPOUND"} xref: KEGG:C19017 xref: PPDB:1272 is_a: CHEBI:62889 ! organic diphosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H20O7P2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IDCBOTIENDVCBQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.18770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.06843" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOP(=O)(OCC)OP(=O)(OCC)OCC" xsd:string [Term] id: CHEBI:82163 name: rac-1,2-dichloropropane namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-1,2-dichloropropane. It is used as a fumigant to control nematodes in soil and insects in stored grain." [] subset: 3_STAR synonym: "(+-)-1,2-dichloropropane" RELATED [ChEBI] synonym: "(2RS)-1,2-dichloropropane" RELATED [Alan_Wood's_Pesticides] synonym: "rac-(2R)-1,2-dichloropropane" RELATED [Alan_Wood's_Pesticides] synonym: "rac-1,2-DCP" RELATED [ChEBI] synonym: "rac-1,2-dichloropropane" EXACT IUPAC_NAME [IUPAC] synonym: "rac-alpha,beta-dichloropropane" RELATED [ChEBI] synonym: "rac-alpha,beta-propylene dichloride" RELATED [ChEBI] synonym: "rac-CH3CHClCH2Cl" RELATED [ChEBI] synonym: "rac-dichloro-1,2 propane" RELATED [ChEBI] synonym: "rac-propylene dichloride" RELATED [ChEBI] xref: CAS:78-87-5 {source="NIST Chemistry WebBook"} xref: CAS:78-87-5 {source="ChemIDplus"} xref: CAS:78-87-5 {source="KEGG COMPOUND"} xref: KEGG:C19034 xref: Pesticides:1\,2-dichloropropane {source="Alan Wood's Pesticides"} xref: PMID:21070183 {source="Europe PMC"} xref: PMID:28527381 {source="Europe PMC"} xref: PMID:29863124 {source="Europe PMC"} xref: PMID:29973469 {source="Europe PMC"} xref: PMID:30240022 {source="Europe PMC"} xref: PPDB:1191 xref: Reaxys:1718880 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:142469 ! (R)-1,2-dichloropropane relationship: has_part CHEBI:142471 ! (S)-1,2-dichloropropane relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39277 ! fumigant insecticide relationship: has_role CHEBI:48358 ! polar aprotic solvent relationship: has_role CHEBI:50903 ! carcinogenic agent [Term] id: CHEBI:82183 name: Chloramben namespace: chebi_ontology subset: 2_STAR xref: CAS:133-90-4 {source="KEGG COMPOUND"} xref: KEGG:C19056 is_a: CHEBI:23134 ! chlorobenzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5Cl2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSSBORCLYSCBJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "206.02600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.96973" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1cc(Cl)cc(C(O)=O)c1Cl" xsd:string [Term] id: CHEBI:82220 name: atraton namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine" RELATED [ChemIDplus] synonym: "2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine" RELATED [ChemIDplus] synonym: "N-ethyl-6-methoxy-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: CAS:1610-17-9 {source="NIST Chemistry WebBook"} xref: CAS:1610-17-9 {source="ChemIDplus"} xref: CAS:1610-17-9 {source="KEGG COMPOUND"} xref: KEGG:C19098 xref: Patent:WO2008062557 xref: Pesticides:atraton {source="Alan Wood's Pesticides"} xref: PMID:21254126 {source="Europe PMC"} xref: PMID:25301341 {source="Europe PMC"} xref: PPDB:1692 xref: Reaxys:613098 {source="Reaxys"} is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38177 ! methoxy-1,3,5-triazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXWUKZGIHQRDHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.26420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.14331" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NC(C)C)nc(OC)n1" xsd:string [Term] id: CHEBI:82228 name: secbumeton namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-secbumeton. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "(RS)-N(2)-sec-butyl-N(4)-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" RELATED [Alan_Wood's_Pesticides] synonym: "2-(sec-butylamino)-4-(ethylamino)-6-methoxy-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "N-ethyl-6-methoxy-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine" RELATED [Alan_Wood's_Pesticides] synonym: "rac-N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "sec-bumetone" RELATED [ChemIDplus] synonym: "secumbeton" RELATED [ChemIDplus] xref: AGR:IND44654545 {source="Europe PMC"} xref: CAS:26259-45-0 {source="NIST Chemistry WebBook"} xref: CAS:26259-45-0 {source="KEGG COMPOUND"} xref: CAS:26259-45-0 {source="ChemIDplus"} xref: KEGG:C19106 xref: Patent:CA2518621 xref: Patent:KR20050115906 xref: Patent:US2006154823 xref: Patent:US2014309111 xref: Pesticides:secbumeton {source="Alan Wood's Pesticides"} xref: PMID:16916034 {source="Europe PMC"} xref: PMID:24607694 {source="Europe PMC"} xref: PMID:24720960 {source="Europe PMC"} xref: Reaxys:8981797 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83787 ! (R)-secbumeton relationship: has_part CHEBI:83788 ! (S)-secbumeton relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:82244 name: Methazole namespace: chebi_ontology subset: 2_STAR xref: CAS:20354-26-1 {source="KEGG COMPOUND"} xref: KEGG:C19123 xref: PPDB:454 is_a: CHEBI:23697 ! dichlorobenzene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6Cl2N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LRUUNMYPIBZBQH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.06200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.97555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O" xsd:string [Term] id: CHEBI:82256 name: ANTU namespace: chebi_ontology subset: 2_STAR synonym: "alpha-Naphthylthiourea" RELATED [KEGG_COMPOUND] xref: CAS:86-88-4 {source="KEGG COMPOUND"} xref: KEGG:C19136 xref: PPDB:1269 xref: PPDB:2638 is_a: CHEBI:25477 ! naphthalenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H10N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PIVQQUNOTICCSA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "202.27600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "202.05647" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=S)Nc1cccc2ccccc12" xsd:string [Term] id: CHEBI:82261 name: Pindone namespace: chebi_ontology subset: 2_STAR xref: CAS:83-26-1 {source="KEGG COMPOUND"} xref: KEGG:C19141 xref: PPDB:2842 is_a: CHEBI:140323 ! beta-triketone is_a: CHEBI:24789 ! indanones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZKYEQDPDZUERB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.25920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O" xsd:string [Term] id: CHEBI:82270 name: bis(chloromethyl) ether namespace: chebi_ontology def: "An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine." [] subset: 3_STAR synonym: "alpha,alpha'-dichlorodimethyl ether" RELATED [ChemIDplus] synonym: "BCME" RELATED [KEGG_COMPOUND] synonym: "bis(chloromethyl) ether" EXACT IUPAC_NAME [IUPAC] synonym: "chloro(chloromethoxy)methane" RELATED [ChemIDplus] synonym: "dichloromethyl ether, symmetrical" RELATED [ChemIDplus] synonym: "oxybis(chloromethane)" RELATED [ChemIDplus] synonym: "sym-dichloro-dimethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "sym-dichloromethyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "sym-dichloromethyl ether" RELATED [ChemIDplus] xref: CAS:542-88-1 {source="ChemIDplus"} xref: CAS:542-88-1 {source="NIST Chemistry WebBook"} xref: CAS:542-88-1 {source="KEGG COMPOUND"} xref: KEGG:C19158 xref: PMID:1115531 {source="Europe PMC"} xref: PMID:15320321 {source="Europe PMC"} xref: PMID:21089828 {source="Europe PMC"} xref: PMID:21850114 {source="Europe PMC"} xref: PMID:2526731 {source="Europe PMC"} xref: PMID:5558146 {source="Europe PMC"} xref: PMID:722181 {source="Europe PMC"} xref: PMID:7298204 {source="Europe PMC"} xref: PMID:9489299 {source="Europe PMC"} xref: Wikipedia:Bis(chloromethyl)_ether is_a: CHEBI:25698 ! ether is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:22333 ! alkylating agent relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Cl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRQGCQVOJVTVLU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.959" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.96392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCOCCl" xsd:string [Term] id: CHEBI:82271 name: Chloromethyl methyl ether namespace: chebi_ontology subset: 2_STAR xref: CAS:107-30-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031332 xref: KEGG:C19160 is_a: CHEBI:25698 ! ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XJUZRXYOEPSWMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.51400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.00289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCl" xsd:string [Term] id: CHEBI:82273 name: Benzal chloride namespace: chebi_ontology subset: 2_STAR xref: CAS:98-87-3 {source="KEGG COMPOUND"} xref: KEGG:C19165 is_a: CHEBI:22712 ! benzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CAHQGWAXKLQREW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "161.02900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "159.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)c1ccccc1" xsd:string [Term] id: CHEBI:82274 name: (trichloromethyl)benzene namespace: chebi_ontology def: "An organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry." [] subset: 3_STAR synonym: "(trichloromethyl)benzene" EXACT IUPAC_NAME [IUPAC] synonym: "1-(trichloromethyl)benzene" RELATED [ChemIDplus] synonym: "alpha,alpha,alpha-trichlorotoluene" RELATED [ChemIDplus] synonym: "benzotrichloride" RELATED [ChemIDplus] synonym: "phenylchloroform" RELATED [ChemIDplus] xref: CAS:98-07-7 {source="ChemIDplus"} xref: CAS:98-07-7 {source="KEGG COMPOUND"} xref: CAS:98-07-7 {source="NIST Chemistry WebBook"} xref: KEGG:C19166 xref: Patent:US1828858 xref: PMID:106269 {source="Europe PMC"} xref: PMID:15318374 {source="Europe PMC"} xref: PMID:21089811 {source="Europe PMC"} xref: PMID:21850111 {source="Europe PMC"} xref: PMID:3791187 {source="Europe PMC"} xref: PMID:6751993 {source="Europe PMC"} xref: PMID:8262817 {source="Europe PMC"} xref: Wikipedia:Benzotrichloride is_a: CHEBI:134179 ! volatile organic compound is_a: CHEBI:22712 ! benzenes is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5Cl3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEMRAKSQROQPBR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "195.474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.94568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC(=C1)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:82275 name: benzoyl chloride namespace: chebi_ontology def: "An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals." [] subset: 3_STAR synonym: "alpha-chlorobenzaldehyde" RELATED [ChemIDplus] synonym: "benzenecarbonyl chloride" RELATED [ChemIDplus] synonym: "benzoic acid chloride" RELATED [ChemIDplus] synonym: "benzoyl chloride" EXACT IUPAC_NAME [IUPAC] xref: CAS:98-88-4 {source="NIST Chemistry WebBook"} xref: CAS:98-88-4 {source="ChemIDplus"} xref: KEGG:C19168 xref: PMID:10476457 {source="Europe PMC"} xref: PMID:1069541 {source="Europe PMC"} xref: PMID:12371201 {source="Europe PMC"} xref: PMID:14833424 {source="Europe PMC"} xref: PMID:19697904 {source="Europe PMC"} xref: PMID:24471690 {source="Europe PMC"} xref: PMID:30372914 {source="Europe PMC"} xref: PMID:3820773 {source="Europe PMC"} xref: PMID:533824 {source="Europe PMC"} xref: PMID:6957389 {source="Europe PMC"} xref: PMID:7327367 {source="Europe PMC"} xref: Reaxys:471389 {source="Reaxys"} xref: Wikipedia:Benzoyl_chloride is_a: CHEBI:22712 ! benzenes is_a: CHEBI:36687 ! acyl chloride relationship: has_functional_parent CHEBI:30746 ! benzoic acid relationship: has_role CHEBI:50903 ! carcinogenic agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PASDCCFISLVPSO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "140.570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.00289" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(=O)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:82280 name: Dimethylcarbamoyl chloride namespace: chebi_ontology subset: 2_STAR xref: CAS:79-44-7 {source="KEGG COMPOUND"} xref: KEGG:C19175 is_a: CHEBI:37578 ! halide relationship: has_functional_parent CHEBI:28616 ! carbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6ClNO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YIIMEMSDCNDGTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "107.53900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.01379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(Cl)=O" xsd:string [Term] id: CHEBI:82282 name: Tris(2,3-dibromopropyl) phosphate namespace: chebi_ontology subset: 2_STAR xref: CAS:126-72-7 {source="KEGG COMPOUND"} xref: KEGG:C19182 is_a: CHEBI:37562 ! trialkyl phosphate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H15Br6O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PQYJRMFWJJONBO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "697.61100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "691.58082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr" xsd:string [Term] id: CHEBI:82285 name: ortho-Aminoazotoluene namespace: chebi_ontology subset: 2_STAR synonym: "C.I. Solvent Yellow 3" RELATED [KEGG_COMPOUND] xref: CAS:97-56-3 {source="KEGG COMPOUND"} xref: KEGG:C19188 is_a: CHEBI:22682 ! azobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H15N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PFRYFZZSECNQOL-WUKNDPDISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.12660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1\\N=N\\c1ccc(N)c(C)c1" xsd:string [Term] id: CHEBI:82288 name: o-anisidine namespace: chebi_ontology def: "A substituted aniline that is aniline in which the hydrogen ortho to the amino group has been replaced by a methoxy group. It is used as a chemical intermediate in the synthesis of azo pigments and dyes." [] subset: 3_STAR synonym: "1-amino-2-methoxybenzene" RELATED [ChemIDplus] synonym: "2-aminoanisole" RELATED [ChemIDplus] synonym: "2-anisidine" RELATED [ChemIDplus] synonym: "2-methoxy-1-aminobenzene" RELATED [ChemIDplus] synonym: "2-methoxyaniline" RELATED [UniProt] synonym: "2-methoxybenzenamine" RELATED [ChemIDplus] synonym: "o-aminoanisole" RELATED [NIST_Chemistry_WebBook] synonym: "o-anisidine" EXACT [KEGG_COMPOUND] synonym: "o-anisylamine" RELATED [NIST_Chemistry_WebBook] synonym: "o-methoxyaniline" RELATED [ChemIDplus] synonym: "o-methoxyphenylamine" RELATED [ChemIDplus] synonym: "ortho-aminoanisole" RELATED [ChemIDplus] synonym: "ortho-anisidine" RELATED [ChemIDplus] xref: Beilstein:386210 {source="Beilstein"} xref: CAS:90-04-0 {source="ChemIDplus"} xref: CAS:90-04-0 {source="KEGG COMPOUND"} xref: CAS:90-04-0 {source="NIST Chemistry WebBook"} xref: KEGG:C19191 xref: PMID:21187827 {source="Europe PMC"} xref: PMID:22403159 {source="Europe PMC"} xref: PMID:28089782 {source="Europe PMC"} xref: Wikipedia:O-Anisidine is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:50994 ! primary amino compound relationship: has_role CHEBI:33893 ! reagent relationship: has_role CHEBI:50902 ! genotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VMPITZXILSNTON-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.155" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC(=C1N)OC" xsd:string [Term] id: CHEBI:82297 name: carbon black namespace: chebi_ontology def: "An elemental carbon in the form of virtually pure colloidal particles that are produced by incomplete combustion or thermal decomposition of gaseous or liquid hydrocarbons under controlled conditions. A black, finely divided pellet or powder, its properties of specific surface area, particle size and structure, conductivity and colour can be varied by varying the exact conditions for its production. It is used in tyres, rubber and plastic products, printing inks and coatings." [] subset: 3_STAR xref: CAS:1333-86-4 {source="ChemIDplus"} xref: CAS:1333-86-4 {source="KEGG COMPOUND"} xref: KEGG:C19202 xref: PMID:24291665 {source="Europe PMC"} xref: PMID:24669321 {source="Europe PMC"} xref: PMID:25071917 {source="Europe PMC"} xref: PMID:26803751 {source="Europe PMC"} xref: Wikipedia:Carbon_black is_a: CHEBI:33415 ! elemental carbon [Term] id: CHEBI:82304 name: 1-Amino-2,4-dibromoanthraquinone namespace: chebi_ontology subset: 2_STAR xref: CAS:81-49-2 {source="KEGG COMPOUND"} xref: KEGG:C19211 is_a: CHEBI:22580 ! anthraquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H7Br2NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZINRVIQBCHAZMM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "381.01900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "378.88435" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12" xsd:string [Term] id: CHEBI:82307 name: para-Cresidine namespace: chebi_ontology subset: 2_STAR synonym: "p-Cresidine" RELATED [KEGG_COMPOUND] xref: CAS:120-71-8 {source="KEGG COMPOUND"} xref: KEGG:C19216 xref: PDBeChem:ZZT is_a: CHEBI:51683 ! methoxybenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WXWCDTXEKCVRRO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.17900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.08406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(C)cc1N" xsd:string [Term] id: CHEBI:82309 name: 2,4-Diaminoanisole namespace: chebi_ontology subset: 2_STAR xref: CAS:615-05-4 {source="KEGG COMPOUND"} xref: KEGG:C19218 is_a: CHEBI:51683 ! methoxybenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H10N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAHPQISAXRFLCL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.16710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.07931" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(N)cc1N" xsd:string [Term] id: CHEBI:82315 name: 3,3'-Dichlorobenzidine namespace: chebi_ontology subset: 2_STAR xref: CAS:91-94-1 {source="KEGG COMPOUND"} xref: KEGG:C19225 is_a: CHEBI:22888 ! biphenyls is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10Cl2N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HUWXDEQWWKGHRV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "253.12700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.02210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1Cl)-c1ccc(N)c(Cl)c1" xsd:string [Term] id: CHEBI:82318 name: Diglycidyl resorcinol ether namespace: chebi_ontology subset: 2_STAR xref: CAS:101-90-6 {source="KEGG COMPOUND"} xref: KEGG:C19228 is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WPYCRFCQABTEKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.23720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.08921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(Oc1cccc(OCC2CO2)c1)C1CO1" xsd:string [Term] id: CHEBI:82319 name: Dihydrosafrole namespace: chebi_ontology subset: 2_STAR synonym: "1,2-(Methylenedioxy)-4-propylbenzene" RELATED [KEGG_COMPOUND] xref: CAS:94-58-6 {source="KEGG COMPOUND"} xref: KEGG:C19229 is_a: CHEBI:38298 ! benzodioxoles property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYEIDJPOUKASEC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.20110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCc1ccc2OCOc2c1" xsd:string [Term] id: CHEBI:82321 name: 3,3'-Dimethoxybenzidine namespace: chebi_ontology subset: 2_STAR synonym: "ortho-Dianisidine" RELATED [KEGG_COMPOUND] xref: CAS:119-90-4 {source="KEGG COMPOUND"} xref: KEGG:C19231 is_a: CHEBI:22888 ! biphenyls property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JRBJSXQPQWSCCF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.28900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.12118" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1N)-c1ccc(N)c(OC)c1" xsd:string [Term] id: CHEBI:82327 name: Ethyl acrylate namespace: chebi_ontology subset: 2_STAR xref: CAS:140-88-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033978 xref: KEGG:C19238 is_a: CHEBI:51702 ! enoate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JIGUQPWFLRLWPJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.11580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(=O)C=C" xsd:string [Term] id: CHEBI:82340 name: 2-Methylaziridine namespace: chebi_ontology subset: 2_STAR synonym: "Propyleneimine" RELATED [KEGG_COMPOUND] xref: CAS:75-55-8 {source="KEGG COMPOUND"} xref: KEGG:C19257 is_a: CHEBI:22681 ! aziridines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OZDGMOYKSFPLSE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "57.09440" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.05785" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1CN1" xsd:string [Term] id: CHEBI:82342 name: 5-Methylchrysene namespace: chebi_ontology subset: 2_STAR xref: CAS:3697-24-3 {source="KEGG COMPOUND"} xref: KEGG:C19259 is_a: CHEBI:35294 ! carbopolycyclic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GOHBXWHNJHENRX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.31450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.10955" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc2ccccc2c2ccc3ccccc3c12" xsd:string [Term] id: CHEBI:82344 name: Methyl isobutyl ketone namespace: chebi_ontology subset: 2_STAR synonym: "2-Methyl-4-pentanal" RELATED [HMDB] synonym: "2-Methyl-4-pentanone" RELATED [HMDB] synonym: "2-Methylpropyl methyl ketone" RELATED [HMDB] synonym: "4-Methyl-2-oxopentane" RELATED [HMDB] synonym: "4-Methyl-2-pentanon" RELATED [HMDB] synonym: "4-Methyl-2-pentanone" RELATED [HMDB] synonym: "4-Methyl-pentan-2-on" RELATED [HMDB] synonym: "4-Methylpentan-2-one" RELATED [HMDB] synonym: "4-methylpentan-2-one" RELATED [HMDB] synonym: "4-Metilpentan-2-one" RELATED [HMDB] synonym: "Ethyl iso-butyl ketone" RELATED [HMDB] synonym: "Hexanone" RELATED [HMDB] synonym: "Hexon" RELATED [HMDB] synonym: "Hexone" RELATED [HMDB] synonym: "Isobutyl methyl ketone" RELATED [HMDB] synonym: "Isobutyl-methylketon" RELATED [HMDB] synonym: "Isohexanone" RELATED [HMDB] synonym: "Isopropyl acetone" RELATED [HMDB] synonym: "Isopropylacetone" RELATED [HMDB] synonym: "Methyl I-butyl ketone" RELATED [HMDB] synonym: "Methyl-isobutyl-cetone" RELATED [HMDB] synonym: "Methylisobutylketon" RELATED [HMDB] synonym: "Methylpentan-2-one" RELATED [HMDB] synonym: "Metilisobutilchetone" RELATED [HMDB] synonym: "Metyloizobutyloketon" RELATED [HMDB] synonym: "Shell mibk" RELATED [HMDB] xref: CAS:108-10-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002939 xref: KEGG:C19263 xref: KEGG:D04989 xref: PMID:12592578 {source="Europe PMC"} xref: PMID:16464817 {source="Europe PMC"} xref: PMID:17314143 {source="Europe PMC"} xref: PMID:17485256 {source="Europe PMC"} xref: PMID:22284503 {source="Europe PMC"} xref: PMID:24657864 {source="Europe PMC"} xref: PMID:5556886 {source="Europe PMC"} xref: PMID:7987494 {source="Europe PMC"} xref: PPDB:1303 xref: Wikipedia:Methyl_isobutyl_ketone is_a: CHEBI:17087 ! ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NTIZESTWPVYFNL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.15890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.08882" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(C)=O" xsd:string [Term] id: CHEBI:82351 name: 6-Nitrochrysene namespace: chebi_ontology subset: 2_STAR xref: CAS:7496-02-8 {source="KEGG COMPOUND"} xref: KEGG:C19271 is_a: CHEBI:35294 ! carbopolycyclic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UAWLTQJFZUYROA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.28540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12" xsd:string [Term] id: CHEBI:82355 name: 4-Nitropyrene namespace: chebi_ontology subset: 2_STAR xref: CAS:57835-92-4 {source="KEGG COMPOUND"} xref: KEGG:C19276 is_a: CHEBI:59659 ! pyrenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UISKIUIWPSPSAV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "247.24820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "247.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23" xsd:string [Term] id: CHEBI:82356 name: N-Nitrosodi-n-butylamine namespace: chebi_ontology subset: 2_STAR synonym: "N,N-Dibutylnitrosoamine" RELATED [KEGG_COMPOUND] xref: CAS:924-16-3 {source="KEGG COMPOUND"} xref: KEGG:C19277 is_a: CHEBI:35800 ! nitroso compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGJHZCLPZAZIHH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "158.24130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "158.14191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCN(CCCC)N=O" xsd:string [Term] id: CHEBI:82358 name: N-Nitrosodi-n-propylamine namespace: chebi_ontology subset: 2_STAR xref: CAS:621-64-7 {source="KEGG COMPOUND"} xref: KEGG:C19279 is_a: CHEBI:35800 ! nitroso compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YLKFDHTUAUWZPQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.18820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.11061" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCC)N=O" xsd:string [Term] id: CHEBI:82361 name: N-Nitrosomethylvinylamine namespace: chebi_ontology subset: 2_STAR xref: CAS:4549-40-0 {source="KEGG COMPOUND"} xref: KEGG:C19282 is_a: CHEBI:35800 ! nitroso compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWZVYNHQGTZJIH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.09250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.04801" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C=C)N=O" xsd:string [Term] id: CHEBI:82367 name: Phenyl glycidyl ether namespace: chebi_ontology subset: 2_STAR xref: CAS:122-60-1 {source="KEGG COMPOUND"} xref: KEGG:C19291 is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FQYUMYWMJTYZTK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.17450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(Oc1ccccc1)C1CO1" xsd:string [Term] id: CHEBI:82370 name: 1,3-Propane sultone namespace: chebi_ontology subset: 2_STAR xref: CAS:1120-71-4 {source="KEGG COMPOUND"} xref: KEGG:C19296 is_a: CHEBI:38088 ! sultone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSSPGSAQUIYDCN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.14300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.00377" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=S1(=O)CCCO1" xsd:string [Term] id: CHEBI:82372 name: Tetranitromethane namespace: chebi_ontology subset: 2_STAR xref: CAS:509-14-8 {source="KEGG COMPOUND"} xref: KEGG:C19300 is_a: CHEBI:35352 ! organonitrogen compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN4O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NYTOUQBROMCLBJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.97161" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:82374 name: 4,4'-Thiodianiline namespace: chebi_ontology subset: 2_STAR synonym: "4,4'-Thiobisbenzenamine" RELATED [KEGG_COMPOUND] xref: CAS:139-65-1 {source="KEGG COMPOUND"} xref: KEGG:C19303 is_a: CHEBI:48975 ! substituted aniline property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H12N2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ICNFHJVPAJKPHW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "216.30200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "216.07212" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(Sc2ccc(N)cc2)cc1" xsd:string [Term] id: CHEBI:82379 name: Allyl chloride namespace: chebi_ontology subset: 2_STAR xref: CAS:107-05-1 {source="KEGG COMPOUND"} xref: KEGG:C19316 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSDWBNJEKMUWAV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.52500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.00798" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCC=C" xsd:string [Term] id: CHEBI:82382 name: 1-Amino-2-methylanthraquinone namespace: chebi_ontology subset: 2_STAR xref: CAS:82-28-0 {source="KEGG COMPOUND"} xref: KEGG:C19320 is_a: CHEBI:22580 ! anthraquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLCUIOWQYBYEBG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "237.25330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "237.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N" xsd:string [Term] id: CHEBI:82392 name: Arsenobetaine namespace: chebi_ontology subset: 2_STAR synonym: "(carboxymethyl)trimethylarsonium hydroxide inner salt" RELATED [HMDB] synonym: "(Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CI" RELATED [HMDB] synonym: "2-(trimethylarsaniumyl)acetate" RELATED [HMDB] synonym: "2-(Trimethylarsonio)acetate" RELATED [HMDB] synonym: "Arsenobetaine monohydrate" RELATED [HMDB] synonym: "Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt" RELATED [HMDB] xref: CAS:64436-13-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033206 xref: KEGG:C19331 xref: KNApSAcK:C00033652 xref: Wikipedia:Arsenobetaine is_a: CHEBI:24868 ! organic salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11AsO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SPTHHTGLGVZZRH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.06120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "177.99750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[As+](C)(C)CC([O-])=O" xsd:string [Term] id: CHEBI:82405 name: Benzoyl peroxide namespace: chebi_ontology subset: 2_STAR synonym: "acetoxyl" RELATED [DrugCentral] synonym: "benoxyl" RELATED [DrugCentral] synonym: "benzoperoxide" RELATED [DrugCentral] synonym: "benzoyl superoxide" RELATED [DrugCentral] synonym: "diphenylglyoxal peroxide" RELATED [DrugCentral] xref: CAS:94-36-0 {source="KEGG COMPOUND"} xref: Drug_Central:328 {source="DrugCentral"} xref: HMDB:HMDB0032040 xref: KEGG:C19346 xref: KEGG:D03093 xref: VSDB:1847 is_a: CHEBI:36586 ! carbonyl compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OMPJBNCRMGITSC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.22680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(OOC(=O)c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:82409 name: Bis(2-chloro-1-methylethyl)ether namespace: chebi_ontology subset: 2_STAR synonym: "DCIP" RELATED [KEGG_COMPOUND] xref: CAS:108-60-1 {source="KEGG COMPOUND"} xref: KEGG:C19350 xref: PPDB:2927 is_a: CHEBI:25698 ! ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12Cl2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QCFYJCYNJLBDRT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "171.06500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.02652" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CCl)OC(C)CCl" xsd:string [Term] id: CHEBI:82417 name: Chlorodifluoromethane namespace: chebi_ontology subset: 2_STAR xref: CAS:75-45-6 {source="KEGG COMPOUND"} xref: KEGG:C19361 is_a: CHEBI:134040 ! hydrochlorofluorocarbon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHClF2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHClF2/c2-1(3)4/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VOPWNXZWBYDODV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.46800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.97348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)Cl" xsd:string [Term] id: CHEBI:82436 name: decabromodiphenyl ether namespace: chebi_ontology def: "A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines." [] subset: 3_STAR synonym: "1,1'-oxybis(2,3,4,5,6-pentabromobenzene)" RELATED [ChemIDplus] synonym: "1,2,3,4,5-pentabromo-6-(pentabromophenoxy)benzene" RELATED [IUPAC] synonym: "2,2',3,3',4,4',5,5',6,6'-decabrominated diphenyl ether" RELATED [ChemIDplus] synonym: "2,2',3,3',4,4',5,5',6,6'-decabromobiphenyl ether" RELATED [ChemIDplus] synonym: "2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether" RELATED [ChEBI] synonym: "BDE 209" RELATED [ChemIDplus] synonym: "BDE-209" RELATED [ChemIDplus] synonym: "BDE209" RELATED [ChEBI] synonym: "bis(pentabromophenyl) ether" EXACT IUPAC_NAME [IUPAC] synonym: "decaBDE" RELATED [ChemIDplus] synonym: "decabromodiphenyl oxide" RELATED [KEGG_COMPOUND] synonym: "pentabromophenyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "perbromodiphenyl ether" RELATED [ChEBI] xref: CAS:1163-19-5 {source="NIST Chemistry WebBook"} xref: CAS:1163-19-5 {source="KEGG COMPOUND"} xref: CAS:1163-19-5 {source="ChemIDplus"} xref: KEGG:C19383 xref: PMID:24567298 {source="Europe PMC"} xref: PMID:25222814 {source="Europe PMC"} xref: PMID:26829245 {source="Europe PMC"} xref: PMID:26854739 {source="Europe PMC"} xref: PMID:27090441 {source="Europe PMC"} xref: PMID:27107256 {source="Europe PMC"} xref: PMID:27544732 {source="Europe PMC"} xref: PMID:28057115 {source="Europe PMC"} xref: PMID:28105780 {source="Europe PMC"} xref: PMID:28342993 {source="Europe PMC"} xref: PMID:28374199 {source="Europe PMC"} xref: PMID:28511352 {source="Europe PMC"} xref: PMID:28597690 {source="Europe PMC"} xref: PMID:28649046 {source="Europe PMC"} xref: PMID:28686898 {source="Europe PMC"} xref: Reaxys:2188438 {source="Reaxys"} is_a: CHEBI:134094 ! polybromodiphenyl ether relationship: has_role CHEBI:50910 ! neurotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12Br10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHHGLZMJPXIBIX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "959.164" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "949.17830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br)Br)Br" xsd:string [Term] id: CHEBI:82446 name: trans-1,4-Dichlorobutene namespace: chebi_ontology subset: 2_STAR synonym: "trans-1,4-Dichloro-2-butene" RELATED [KEGG_COMPOUND] xref: CAS:110-57-6 {source="KEGG COMPOUND"} xref: KEGG:C19398 is_a: CHEBI:36683 ! organochlorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6Cl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FQDIANVAWVHZIR-OWOJBTEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.99600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.98466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC\\C=C\\CCl" xsd:string [Term] id: CHEBI:82451 name: 3,3'-Dimethoxybenzidine-4,4'-diisocyanate namespace: chebi_ontology subset: 2_STAR xref: CAS:91-93-0 {source="KEGG COMPOUND"} xref: KEGG:C19403 is_a: CHEBI:22888 ! biphenyls property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZWKEPYTBWZJJA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.27750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.07971" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1N=C=O)-c1ccc(N=C=O)c(OC)c1" xsd:string [Term] id: CHEBI:82471 name: Guinea Green B namespace: chebi_ontology subset: 2_STAR synonym: "C.I. Acid Green 3" RELATED [KEGG_COMPOUND] xref: CAS:4680-78-8 {source="KEGG COMPOUND"} xref: KEGG:C19428 is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C37H35N2Na2O6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C37H36N2O6S2.2Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);;/q;2*+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SYLHZUASBDQZLR-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "713.79300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "713.17264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O" xsd:string [Term] id: CHEBI:8248 name: pirimicarb namespace: chebi_ontology def: "An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4." [] subset: 3_STAR synonym: "2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl dimethylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester" RELATED [ChemIDplus] synonym: "Pirimicarb" EXACT [KEGG_COMPOUND] xref: Beilstein:663442 {source="Beilstein"} xref: CAS:23103-98-2 {source="ChemIDplus"} xref: CAS:23103-98-2 {source="KEGG COMPOUND"} xref: KEGG:C11079 xref: Pesticides:pirimicarb {source="Alan Wood's Pesticides"} xref: PMID:17220085 {source="Europe PMC"} xref: PMID:23598106 {source="Europe PMC"} xref: PMID:23616278 {source="Europe PMC"} xref: PMID:23992615 {source="Europe PMC"} xref: PPDB:530 xref: Reaxys:663442 {source="Reaxys"} xref: Wikipedia:Pirimicarb is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:38544 ! dimethylcarbamic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38461 ! carbamate insecticide relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H18N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YFGYUFNIOHWBOB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "238.28638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "238.14298" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C" xsd:string [Term] id: CHEBI:82482 name: Methyl acrylate namespace: chebi_ontology subset: 2_STAR xref: CAS:96-33-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033977 xref: KEGG:C19443 is_a: CHEBI:51702 ! enoate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAPJBEWLBFYGME-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C=C" xsd:string [Term] id: CHEBI:82492 name: N-Methylolacrylamide namespace: chebi_ontology subset: 2_STAR synonym: "N-(Hydroxymethyl)acrylamide" RELATED [KEGG_COMPOUND] xref: CAS:924-42-5 {source="KEGG COMPOUND"} xref: KEGG:C19456 is_a: CHEBI:140325 ! secondary carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CNCOEDDPFOAUMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "101.10390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCNC(=O)C=C" xsd:string [Term] id: CHEBI:82496 name: 1,5-Naphthalene diisocyanate namespace: chebi_ontology subset: 2_STAR xref: CAS:3173-72-6 {source="KEGG COMPOUND"} xref: KEGG:C19464 is_a: CHEBI:25477 ! naphthalenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H6N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBJCUZQNHOLYMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.18820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.04293" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C=Nc1cccc2c(cccc12)N=C=O" xsd:string [Term] id: CHEBI:82504 name: 4-Nitrobiphenyl namespace: chebi_ontology subset: 2_STAR synonym: "4-Nitro-1,1'-biphenyl" RELATED [KEGG_COMPOUND] xref: CAS:92-93-3 {source="KEGG COMPOUND"} xref: KEGG:C19473 is_a: CHEBI:22888 ! biphenyls property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BAJQRLZAPXASRD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.20540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)c1ccc(cc1)-c1ccccc1" xsd:string [Term] id: CHEBI:82534 name: Sudan II namespace: chebi_ontology subset: 2_STAR synonym: "C.I. Solvent Orange 7" RELATED [KEGG_COMPOUND] xref: CAS:3118-97-6 {source="KEGG COMPOUND"} xref: KEGG:C19526 is_a: CHEBI:22682 ! azobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBTHDAVBDKKSRW-FMQUCBEESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "276.33240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "276.12626" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(\\N=N\\c2c(O)ccc3ccccc23)c(C)c1" xsd:string [Term] id: CHEBI:82548 name: Vat Yellow 4 namespace: chebi_ontology subset: 2_STAR synonym: "C.I. Vat Yellow 4" RELATED [KEGG_COMPOUND] synonym: "Dibenzo[b,def]chrysene-7,14-dione" RELATED [KEGG_COMPOUND] xref: CAS:128-66-5 {source="KEGG COMPOUND"} xref: KEGG:C19545 is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZTWQZJLUUZHJGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "332.35090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "332.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O" xsd:string [Term] id: CHEBI:82550 name: Vinylidene fluoride namespace: chebi_ontology subset: 2_STAR synonym: "1,1-Difluoroethene" RELATED [KEGG_COMPOUND] xref: CAS:75-38-7 {source="KEGG COMPOUND"} xref: KEGG:C19547 is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2F2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2F2/c1-2(3)4/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQCIDUSAKPWEOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "64.03410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.01246" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)=C" xsd:string [Term] id: CHEBI:82632 name: phytochrome chromophore namespace: chebi_ontology def: "A chromophore that is a linear tetrapyrrolic prosthetic group covalently attached to a large soluble protein phytochrome. Light absorption by the phytochrome chromophore triggers photoconversion between two spectrally distinct forms of the photoreceptor: Pr, the red light absorbing form, and Pfr, the far-red light absorbing form." [] subset: 3_STAR synonym: "phytochrome chromophores" RELATED [ChEBI] xref: PMID:2909515 {source="Europe PMC"} is_a: CHEBI:23240 ! chromophore [Term] id: CHEBI:82663 name: elemental iron namespace: chebi_ontology def: "An elemental molecular entity in which all of the atoms have atomic number 26." [] subset: 3_STAR is_a: CHEBI:24873 ! iron molecular entity is_a: CHEBI:33259 ! elemental molecular entity [Term] id: CHEBI:82680 name: monounsaturated fatty acid anion namespace: chebi_ontology def: "Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain." [] subset: 3_STAR synonym: "monounsaturated fatty acid anions" RELATED [ChEBI] is_a: CHEBI:2580 ! unsaturated fatty acid anion relationship: is_conjugate_base_of CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:82711 name: aryl thiol namespace: chebi_ontology def: "An aryl thiol is a thiol in which a sulfanyl group, SH, is attached to an aryl group." [] subset: 3_STAR synonym: "an aryl thiol" RELATED [UniProt] xref: KEGG:C01336 {source="SUBMITTER"} is_a: CHEBI:29256 ! thiol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S[*]" xsd:string [Term] id: CHEBI:8273 name: plumbagin namespace: chebi_ontology def: "A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively." [] subset: 3_STAR synonym: "2-methyl-5-hydroxy-1,4-naphthoquinone" RELATED [ChemIDplus] synonym: "2-methyljuglone" RELATED [ChEBI] synonym: "5-hydroxy-2-methyl-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "5-hydroxy-2-methyl-1,4-naphthoquinone" RELATED [ChEBI] synonym: "5-hydroxy-2-methylnaphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "plumbaein" RELATED [ChEBI] synonym: "Plumbagin" EXACT [KEGG_COMPOUND] synonym: "plumbagine" RELATED [MetaCyc] synonym: "plumbagone" RELATED [ChEBI] xref: Beilstein:1870475 {source="ChemIDplus"} xref: CAS:481-42-5 {source="KEGG COMPOUND"} xref: CAS:481-42-5 {source="ChemIDplus"} xref: Gmelin:959690 {source="Gmelin"} xref: KEGG:C10387 xref: KNApSAcK:C00002852 xref: LINCS:LSM-37061 xref: MetaCyc:CPD-4461 xref: Patent:CN1473468 xref: Patent:IN183682 xref: Patent:IN191797 xref: PDBeChem:90R xref: PMID:14727919 {source="Europe PMC"} xref: PMID:14762525 {source="Europe PMC"} xref: PMID:16078700 {source="Europe PMC"} xref: PMID:16624823 {source="Europe PMC"} xref: PMID:18974148 {source="Europe PMC"} xref: PMID:19748668 {source="Europe PMC"} xref: PMID:20858709 {source="Europe PMC"} xref: PMID:21064184 {source="Europe PMC"} xref: PMID:21559086 {source="Europe PMC"} xref: PMID:21658027 {source="Europe PMC"} xref: PMID:21741707 {source="Europe PMC"} xref: Reaxys:1870475 {source="Reaxys"} xref: Wikipedia:Plumbagin is_a: CHEBI:132157 ! hydroxy-1,4-naphthoquinone is_a: CHEBI:33853 ! phenols relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50847 ! immunological adjuvant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VCMMXZQDRFWYSE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "188.182" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "188.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(=O)C2=C(O)C=CC=C2C1=O" xsd:string [Term] id: CHEBI:82744 name: aliphatic aldoxime namespace: chebi_ontology def: "Any aldoxime derived from an aliphatic aldehyde." [] subset: 3_STAR synonym: "an aliphatic aldoxime" RELATED [UniProt] xref: MetaCyc:Aliphatic-Aldoximes {source="SUBMITTER"} is_a: CHEBI:22307 ! aldoxime property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.03270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ON=C[*]" xsd:string [Term] id: CHEBI:82790 name: methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate namespace: chebi_ontology def: "An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group." [] subset: 3_STAR synonym: "methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate" EXACT IUPAC_NAME [IUPAC] xref: PPDB:444 is_a: CHEBI:22278 ! alanine derivative is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:25698 ! ether is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:62733 ! aromatic amide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H21NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQEIXNIJLIKNTD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.33150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.14706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C" xsd:string [Term] id: CHEBI:82791 name: (S)-metalaxyl namespace: chebi_ontology def: "A methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate that is the less active S-enantiomer of metalaxyl." [] subset: 3_STAR synonym: "methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-L-alaninate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:8324516 {source="Reaxys"} is_a: CHEBI:82790 ! methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is_a: CHEBI:83943 ! L-alanine derivative relationship: is_enantiomer_of CHEBI:60607 ! metalaxyl-M property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H21NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQEIXNIJLIKNTD-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "279.33150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.14706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCC(=O)N([C@@H](C)C(=O)OC)c1c(C)cccc1C" xsd:string [Term] id: CHEBI:82812 name: diltiazem(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of diltiazem. The major species at pH 7.3." [] subset: 3_STAR synonym: "2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35678 ! histamine agonist relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: is_conjugate_acid_of CHEBI:101278 ! diltiazem relationship: is_enantiomer_of CHEBI:82816 ! ent-diltiazem(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H27N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "415.52500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "415.16860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O" xsd:string [Term] id: CHEBI:82813 name: ent-diltiazem namespace: chebi_ontology def: "A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have R configuration. It is a cGMP-activated K+ channel blocker." [] subset: 3_STAR synonym: "(-)-cis-diltiazem" RELATED [ChEBI] synonym: "(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "L-cis-diltiazem" RELATED [ChEBI] synonym: "l-cis-diltiazem" RELATED [ChEBI] xref: LINCS:LSM-3819 xref: PMID:10422783 {source="Europe PMC"} xref: PMID:10607880 {source="Europe PMC"} xref: PMID:1282145 {source="Europe PMC"} xref: PMID:1349177 {source="Europe PMC"} xref: PMID:1663043 {source="Europe PMC"} xref: PMID:16842773 {source="Europe PMC"} xref: PMID:20436480 {source="Europe PMC"} xref: PMID:2243348 {source="Europe PMC"} xref: PMID:3006029 {source="Europe PMC"} xref: PMID:3208710 {source="Europe PMC"} xref: PMID:8022839 {source="Europe PMC"} xref: PMID:8997627 {source="Europe PMC"} xref: PMID:9037422 {source="Europe PMC"} is_a: CHEBI:82814 ! 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate relationship: has_role CHEBI:50509 ! potassium channel blocker relationship: is_conjugate_base_of CHEBI:82816 ! ent-diltiazem(1+) relationship: is_enantiomer_of CHEBI:101278 ! diltiazem property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H26N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSUGRBWQSSZJOP-LEWJYISDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.51800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.16133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@H]1OC(C)=O" xsd:string [Term] id: CHEBI:82814 name: 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate namespace: chebi_ontology def: "A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group." [] subset: 3_STAR synonym: "3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one" RELATED [ChemIDplus] synonym: "5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate" EXACT IUPAC_NAME [IUPAC] xref: CAS:34933-06-7 {source="ChemIDplus"} xref: LINCS:LSM-1744 xref: Reaxys:25644899 {source="Reaxys"} is_a: CHEBI:24995 ! lactam is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:47622 ! acetate ester is_a: CHEBI:48684 ! benzothiazepine is_a: CHEBI:50996 ! tertiary amino compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H26N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSUGRBWQSSZJOP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.51800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.16133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)C1Sc2ccccc2N(CCN(C)C)C(=O)C1OC(C)=O" xsd:string [Term] id: CHEBI:82816 name: ent-diltiazem(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of ent-diltiazem. The major species at pH 7.3." [] subset: 3_STAR synonym: "2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35274 ! ammonium ion derivative relationship: has_role CHEBI:50509 ! potassium channel blocker relationship: is_conjugate_acid_of CHEBI:82813 ! ent-diltiazem relationship: is_enantiomer_of CHEBI:82812 ! diltiazem(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H27N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HSUGRBWQSSZJOP-LEWJYISDSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "415.52500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "415.16860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@H]1OC(C)=O" xsd:string [Term] id: CHEBI:82851 name: phthalimides namespace: chebi_ontology def: "A dicarboximide that is phthalimide or derivatives obtained from it by the formal replacement of one or more hydrogens." [] subset: 3_STAR is_a: CHEBI:24897 ! isoindoles is_a: CHEBI:35356 ! dicarboximide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8NO2R5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.09110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.99290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N1C(=O)c2c(C1=O)c([*])c([*])c([*])c2[*]" xsd:string [Term] id: CHEBI:83038 name: Daphnia galeata metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia galeata." [] subset: 3_STAR synonym: "Daphnia galeata metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83039 name: crustacean metabolite namespace: chebi_ontology def: "An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill." [] subset: 3_STAR synonym: "crustacean metabolites" RELATED [ChEBI] is_a: CHEBI:75767 ! animal metabolite [Term] id: CHEBI:83056 name: Daphnia magna metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia magna." [] subset: 3_STAR synonym: "Daphnia magna metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83057 name: Daphnia metabolite namespace: chebi_ontology def: "A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia" [] subset: 3_STAR synonym: "Daphnia metabolites" RELATED [ChEBI] xref: Wikipedia:Daphnia is_a: CHEBI:83039 ! crustacean metabolite [Term] id: CHEBI:83060 name: dithiocarbamate salt namespace: chebi_ontology def: "Any salt derived from a member of the class of dithiocarbamic acids by the formal replacement of the hydrogen of the dithiocarboxy group by a metal." [] subset: 3_STAR synonym: "dithiocarbamate salts" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt relationship: has_part CHEBI:84292 ! dithiocarbamate anions [Term] id: CHEBI:83061 name: dimethyldithiocarbamic acid namespace: chebi_ontology def: "A member of the class of dithiocarbamic acids that is dimethylcarbamic acid in which both of the oxygens are replaced by sulfur." [] subset: 3_STAR synonym: "dimethylcarbamodithioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "dimethylcarbamodithioic acid" RELATED [ChemIDplus] synonym: "dimethyldithiocarbamate" RELATED [ChemIDplus] synonym: "DMDC" RELATED [ChEBI] synonym: "N,N-dimethyldithiocarbamate" RELATED [ChEBI] synonym: "N,N-dimethyldithiocarbamic acid" RELATED [ChemIDplus] xref: CAS:79-45-8 {source="NIST Chemistry WebBook"} xref: CAS:79-45-8 {source="ChemIDplus"} xref: Reaxys:1740846 {source="Reaxys"} is_a: CHEBI:78787 ! dithiocarbamic acids relationship: is_conjugate_acid_of CHEBI:84293 ! dimethyldithiocarbamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZGNSEAPZQGJRB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.22400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.00199" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(S)=S" xsd:string [Term] id: CHEBI:83072 name: EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor namespace: chebi_ontology def: "An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1." [] subset: 3_STAR synonym: "complex II inhibitor" RELATED [ChEBI] synonym: "complex II inhibitors" RELATED [ChEBI] synonym: "EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitors" RELATED [ChEBI] synonym: "EC 1.3.5.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.5.1 inhibitors" RELATED [ChEBI] synonym: "SDH inhibitor" RELATED [ChEBI] synonym: "SDH inhibitors" RELATED [ChEBI] synonym: "succinate dehydrogenase (ubiquinone) inhibitor" RELATED [ChEBI] synonym: "succinate dehydrogenase (ubiquinone) inhibitors" RELATED [ChEBI] synonym: "succinate dehydrogenase complex inhibitor" RELATED [ChEBI] synonym: "succinate dehydrogenase complex inhibitors" RELATED [ChEBI] synonym: "succinate dehydrogenase inhibitor" RELATED [ChEBI] synonym: "succinate dehydrogenase inhibitors" RELATED [ChEBI] synonym: "succinate:quinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "succinate:quinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "succinate:ubiquinone oxidoreductase inhibitor" RELATED [ChEBI] synonym: "succinate:ubiquinone oxidoreductase inhibitors" RELATED [ChEBI] synonym: "succinic dehydrogenase inhibitor" RELATED [ChEBI] synonym: "succinic dehydrogenase inhibitors" RELATED [ChEBI] xref: Wikipedia:Succinate_dehydrogenase is_a: CHEBI:77102 ! EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor [Term] id: CHEBI:83146 name: Daphnia tenebrosa metabolite namespace: chebi_ontology def: "A Daphnia metabolite produced by the species Daphnia tenebrosa." [] subset: 3_STAR synonym: "Daphnia tenebrosa metabolites" RELATED [ChEBI] is_a: CHEBI:83057 ! Daphnia metabolite [Term] id: CHEBI:83279 name: 3-iodoprop-2-yn-1-yl butylcarbamate namespace: chebi_ontology def: "A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products." [] subset: 3_STAR synonym: "3-iodo-2-propyn-1-yl N-butylcarbamate" RELATED [Alan_Wood's_Pesticides] synonym: "3-iodo-2-propynyl butylcarbamate" RELATED [ChemIDplus] synonym: "3-iodoprop-2-yn-1-yl butylcarbamate" EXACT IUPAC_NAME [IUPAC] synonym: "3-iodoprop-2-ynyl butylcarbamate" RELATED [Alan_Wood's_Pesticides] synonym: "butyl-3-iodo-2-propynylcarbamate" RELATED [ChemIDplus] synonym: "iodocarb" RELATED [ChemIDplus] synonym: "iodocarbe" RELATED [ChEBI] synonym: "Iodopropynyl butylcarbamate" RELATED [ChemIDplus] synonym: "IPBC" RELATED [ChEBI] synonym: "Troysan KK-108A" RELATED BRAND_NAME [ChemIDplus] synonym: "Troysan polyphase anti-mildew" RELATED BRAND_NAME [ChemIDplus] synonym: "Woodlife" RELATED BRAND_NAME [ChemIDplus] xref: CAS:55406-53-6 {source="Alan Wood's Pesticides"} xref: CAS:55406-53-6 {source="ChemIDplus"} xref: Pesticides:iodocarb {source="Alan Wood's Pesticides"} xref: PMID:11011936 {source="Europe PMC"} xref: PMID:12022126 {source="Europe PMC"} xref: PMID:15377347 {source="Europe PMC"} xref: PMID:16854476 {source="Europe PMC"} xref: PMID:23514087 {source="Europe PMC"} xref: PMID:23869727 {source="Europe PMC"} xref: Wikipedia:Iodopropynyl_butylcarbamate is_a: CHEBI:37142 ! organoiodine compound is_a: CHEBI:73474 ! acetylenic compound is_a: CHEBI:87061 ! carbamate fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12INO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYVVKGNFXHOCQV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.09090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.99127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCNC(=O)OCC#CI" xsd:string [Term] id: CHEBI:83291 name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine namespace: chebi_ontology def: "A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group." [] subset: 3_STAR synonym: "1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)piperidine" RELATED [ChemIDplus] synonym: "1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:26151 ! piperidines is_a: CHEBI:32876 ! tertiary amine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGNFYQILYYYUBS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.45610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.24565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:83293 name: (R)-fenpropidin namespace: chebi_ontology def: "A 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine that has R configuration." [] subset: 3_STAR synonym: "1-[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83291 ! 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine relationship: is_enantiomer_of CHEBI:83294 ! (S)-fenpropidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/t16-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGNFYQILYYYUBS-MRXNPFEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.45610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.24565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:83294 name: (S)-fenpropidin namespace: chebi_ontology def: "A 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine that has S configuration." [] subset: 3_STAR synonym: "1-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]piperidine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83291 ! 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine relationship: is_enantiomer_of CHEBI:83293 ! (R)-fenpropidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/t16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGNFYQILYYYUBS-INIZCTEOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "273.45610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "273.24565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](CN1CCCCC1)Cc1ccc(cc1)C(C)(C)C" xsd:string [Term] id: CHEBI:83317 name: sterol biosynthesis inhibitor namespace: chebi_ontology def: "Any compound that inhibits the biosynthesis of any sterol." [] subset: 3_STAR synonym: "sterol biosynthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:83319 name: EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor namespace: chebi_ontology def: "An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of Delta(14)-sterol reductase (EC 1.3.1.70)." [] subset: 3_STAR synonym: "4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitor" RELATED [ChEBI] synonym: "4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol:NADP(+) Delta(14)-oxidoreductase inhibitors" RELATED [ChEBI] synonym: "C-14 sterol reductase inhibitor" RELATED [ChEBI] synonym: "C-14 sterol reductase inhibitors" RELATED [ChEBI] synonym: "Delta(14)-sterol reductase (EC 1.3.1.70) inhibitor" RELATED [ChEBI] synonym: "Delta(14)-sterol reductase (EC 1.3.1.70) inhibitors" RELATED [ChEBI] synonym: "Delta(14)-sterol reductase inhibitor" RELATED [ChEBI] synonym: "Delta(14)-sterol reductase inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitors" RELATED [ChEBI] synonym: "EC 1.3.1.70 inhibitor" RELATED [ChEBI] synonym: "EC 1.3.1.70 inhibitors" RELATED [ChEBI] synonym: "sterol C14-reductase inhibitor" RELATED [ChEBI] synonym: "sterol C14-reductase inhibitors" RELATED [ChEBI] xref: Wikipedia:Delta14-sterol_reductase is_a: CHEBI:76857 ! EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD(+) or NADP(+) as acceptor) inhibitor [Term] id: CHEBI:83328 name: pyrazolone namespace: chebi_ontology def: "A member of the class of pyrazoles in which one of the carbons of the pyrazole ring is substituted by an oxo group." [] subset: 3_STAR synonym: "pyrazolones" RELATED [ChEBI] is_a: CHEBI:26410 ! pyrazoles is_a: CHEBI:36586 ! carbonyl compound [Term] id: CHEBI:83347 name: organosulfonic ester namespace: chebi_ontology def: "An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid." [] subset: 3_STAR synonym: "organosulfonate ester" RELATED [ChEBI] synonym: "organosulfonate esters" RELATED [ChEBI] synonym: "organosulfonic esters" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative is_a: CHEBI:35701 ! ester relationship: has_functional_parent CHEBI:33551 ! organosulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3SR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95681" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:83372 name: meptyldinocap namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-meptyldinocap. A fungicide that is active against powdery mildew mainly on grapes, cucurbits and strawberries. Whilst it is not highly to toxic to birds is is toxic to many aquatic species including fish and algae." [] subset: 3_STAR synonym: "(+-)-meptyldinocap" RELATED [ChEBI] synonym: "(E)-2-(1-Methylheptyl)-4,6-dinitrophenyl 2-butenoate" RELATED [ChemIDplus] synonym: "(RS)-2-(1-methylheptyl)-4,6-dinitrophenyl crotonate" RELATED [Alan_Wood's_Pesticides] synonym: "(RS)-meptyldinocap" RELATED [ChEBI] synonym: "2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate" RELATED [Alan_Wood's_Pesticides] synonym: "2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate" RELATED [ChemIDplus] synonym: "rac-2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate" EXACT IUPAC_NAME [IUPAC] synonym: "rac-meptyldinocap" RELATED [ChEBI] synonym: "racemic meptyldinocap" RELATED [ChEBI] xref: CAS:131-72-6 {source="ChemIDplus"} xref: Pesticides:meptyldinocap {source="Alan Wood's Pesticides"} xref: PMID:21313826 {source="Europe PMC"} xref: PMID:23285981 {source="Europe PMC"} xref: PMID:23505246 {source="Europe PMC"} xref: PMID:23654228 {source="Europe PMC"} xref: PMID:23841335 {source="Europe PMC"} xref: Reaxys:2546978 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83376 ! (R)-meptyldinocap relationship: has_part CHEBI:83378 ! (S)-meptyldinocap relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CHEBI:83375 name: 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate namespace: chebi_ontology def: "An enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-(octan-2-yl)phenol." [] subset: 3_STAR synonym: "2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate" EXACT IUPAC_NAME [IUPAC] xref: PPDB:439 is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:51702 ! enoate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIOPZPCMRQGZCE-WEVVVXLNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.39300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.16344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCC(C)c1cc(cc(c1OC(=O)\\C=C\\C)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83376 name: (R)-meptyldinocap namespace: chebi_ontology def: "A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (R)-enantiomer of meptyldinocap." [] subset: 3_STAR synonym: "2,4-dinitro-6-[(2R)-octan-2-yl]phenyl (2E)-but-2-enoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83375 ! 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate relationship: is_enantiomer_of CHEBI:83378 ! (S)-meptyldinocap property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIOPZPCMRQGZCE-OMDQHUAHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.39300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.16344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC[C@@H](C)c1cc(cc(c1OC(=O)\\C=C\\C)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83378 name: (S)-meptyldinocap namespace: chebi_ontology def: "A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (S)-enantiomer of meptyldinocap." [] subset: 3_STAR synonym: "2,4-dinitro-6-[(2S)-octan-2-yl]phenyl (2E)-but-2-enoate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83375 ! 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate relationship: is_enantiomer_of CHEBI:83376 ! (R)-meptyldinocap property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NIOPZPCMRQGZCE-NEXMIYJRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.39300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.16344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC[C@H](C)c1cc(cc(c1OC(=O)\\C=C\\C)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83379 name: dinocap namespace: chebi_ontology def: "A multi-component mixture comprising 2,6-dinitro-4-octanylphenyl and 2,4-dinitro-6-octanylphenyl esters of (2E)-but-2-enoic acid in which 'octanyl' is a mixture of octan-2-yl, octan-3-yl and octan-4-yl groups. The mixture is used as a protectant fungicide for powdery mildew control. The most active component is 2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-2-butenoate, which has the ISO common name meptyldinocap." [] subset: 3_STAR xref: Pesticides:dinocap {source="Alan Wood's Pesticides"} xref: PMID:1455432 {source="Europe PMC"} xref: PMID:18755509 {source="Europe PMC"} xref: PMID:2772841 {source="Europe PMC"} xref: PMID:2874635 {source="Europe PMC"} xref: PMID:2878503 {source="Europe PMC"} xref: PMID:2888213 {source="Europe PMC"} xref: PMID:3341037 {source="Europe PMC"} xref: PMID:3381329 {source="Europe PMC"} xref: PMID:3400070 {source="Europe PMC"} xref: PMID:3537858 {source="Europe PMC"} xref: PMID:3558631 {source="Europe PMC"} xref: PMID:741477 {source="Europe PMC"} is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:83380 ! dinocap-4 relationship: has_part CHEBI:83382 ! dinocap-6 relationship: has_role CHEBI:50905 ! teratogenic agent relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CHEBI:83380 name: dinocap-4 namespace: chebi_ontology def: "A mixture of 2,6-dinitro-4-octylphenyl crotonates in which 'octyl' is a mixture of 1-methylheptyl, 1-ethylhexyl and 1-propylpentyl groups. A component of dinocap, which is used as a protectant fungicide for powdery mildew control." [] subset: 3_STAR xref: Pesticides:dinocap-4 {source="Alan Wood's Pesticides"} is_a: CHEBI:60004 ! mixture relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.16344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C=C\\C(=O)Oc1c(cc([*])cc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83382 name: dinocap-6 namespace: chebi_ontology def: "A mixture of 2,4-dinitro-6-octylphenyl crotonates in which 'octyl' is a mixture of 1-methylheptyl, 1-ethylhexyl and 1-propylpentyl groups. A component of dinocap, which is used as a protectant fungicide for powdery mildew control. The most active component is where R = 1-methylheptyl, which has the ISO common name meptyldinocap." [] subset: 3_STAR xref: Pesticides:dinocap-6 {source="Alan Wood's Pesticides"} is_a: CHEBI:60004 ! mixture relationship: has_part CHEBI:83372 ! meptyldinocap relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H24N2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "364.394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "364.16344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C=C\\C(=O)Oc1c([*])cc(cc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83390 name: pentachlorobenzenes namespace: chebi_ontology def: "Any member of the class of chlorobenzenes in which a benzene ring is substituted by five chloro groups." [] subset: 3_STAR is_a: CHEBI:23132 ! chlorobenzenes [Term] id: CHEBI:83394 name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile namespace: chebi_ontology def: "A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively." [] subset: 3_STAR synonym: "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-1608 xref: PPDB:316 xref: VSDB:316 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:22063 ! sulfoxide is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:26410 ! pyrazoles is_a: CHEBI:50994 ! primary amino compound is_a: CHEBI:83565 ! (trifluoromethyl)benzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl2F6N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOCSXAVNDGMNBV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "437.14800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "435.93871" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F" xsd:string [Term] id: CHEBI:83395 name: (R)-fipronil namespace: chebi_ontology def: "A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has R configuration at the sulfoxide." [] subset: 3_STAR synonym: "(-)-fipronil" RELATED [ChEBI] synonym: "(R)-(-)-fipronil" RELATED [ChEBI] synonym: "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile" EXACT IUPAC_NAME [IUPAC] xref: PMID:14667049 {source="Europe PMC"} xref: PMID:17562454 {source="Europe PMC"} xref: PMID:17687584 {source="Europe PMC"} xref: PMID:18835630 {source="Europe PMC"} xref: PMID:19355792 {source="Europe PMC"} xref: PMID:20821427 {source="Europe PMC"} xref: PMID:22502899 {source="Europe PMC"} xref: PMID:23109279 {source="Europe PMC"} xref: PMID:24742550 {source="Europe PMC"} xref: PMID:24899256 {source="Europe PMC"} xref: PMID:25077813 {source="Europe PMC"} xref: Reaxys:11246529 {source="Reaxys"} is_a: CHEBI:83394 ! 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile relationship: is_enantiomer_of CHEBI:83396 ! (S)-fipronil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl2F6N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOCSXAVNDGMNBV-AREMUKBSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "437.14800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "435.93871" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c([S@@+]([O-])C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N" xsd:string [Term] id: CHEBI:83396 name: (S)-fipronil namespace: chebi_ontology def: "A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has S configuration at the sulfoxide." [] subset: 3_STAR synonym: "(+)-fipronil" RELATED [ChEBI] synonym: "(S)-(+)-fipronil" RELATED [ChEBI] synonym: "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(S)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile" EXACT IUPAC_NAME [IUPAC] xref: PMID:14667049 {source="Europe PMC"} xref: PMID:17562454 {source="Europe PMC"} xref: PMID:17687584 {source="Europe PMC"} xref: PMID:18835630 {source="Europe PMC"} xref: PMID:19355792 {source="Europe PMC"} xref: PMID:20821427 {source="Europe PMC"} xref: PMID:22502899 {source="Europe PMC"} xref: PMID:23109279 {source="Europe PMC"} xref: PMID:24742550 {source="Europe PMC"} xref: PMID:24899256 {source="Europe PMC"} xref: PMID:25077813 {source="Europe PMC"} xref: Reaxys:11246528 {source="Reaxys"} is_a: CHEBI:83394 ! 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile relationship: is_enantiomer_of CHEBI:83395 ! (R)-fipronil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H4Cl2F6N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOCSXAVNDGMNBV-SANMLTNESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "437.14800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "435.93871" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c([S@+]([O-])C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N" xsd:string [Term] id: CHEBI:83399 name: marine xenobiotic metabolite namespace: chebi_ontology def: "Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms." [] subset: 3_STAR synonym: "marine xenobiotic metabolites" RELATED [ChEBI] is_a: CHEBI:76206 ! xenobiotic metabolite is_a: CHEBI:76507 ! marine metabolite [Term] id: CHEBI:83403 name: monochlorobenzenes namespace: chebi_ontology def: "Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine." [] subset: 3_STAR is_a: CHEBI:23132 ! chlorobenzenes [Term] id: CHEBI:83414 name: alkyl sulfate(1-) namespace: chebi_ontology def: "An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3." [] subset: 3_STAR synonym: "alkyl sulfate anion" RELATED [ChEBI] synonym: "an alkyl sulfate" RELATED [UniProt] xref: MetaCyc:Organo-Sulfates {source="SUBMITTER"} is_a: CHEBI:58958 ! organosulfate oxoanion relationship: is_conjugate_base_of CHEBI:29281 ! alkyl sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:83426 name: (E)-dimethomorph namespace: chebi_ontology def: "An enamide resulting from the formal condensation of (2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity." [] subset: 3_STAR synonym: "(2E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "Dimethomorph E" RELATED [ChemIDplus] synonym: "E-Dimethomorph" RELATED [ChemIDplus] xref: CAS:113210-97-2 {source="ChemIDplus"} xref: PMID:12033804 {source="Europe PMC"} xref: PMID:20623489 {source="Europe PMC"} xref: PMID:22902184 {source="Europe PMC"} xref: PMID:23496017 {source="Europe PMC"} xref: Reaxys:8794474 {source="Reaxys"} is_a: CHEBI:140326 ! tertiary carboxamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38785 ! morpholines is_a: CHEBI:51751 ! enamide is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22ClNO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNBTYORWCCMPQP-NBVRZTHBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "387.85700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.12374" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1OC)C(=C\\C(=O)N1CCOCC1)\\c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83427 name: (Z)-dimethomorph namespace: chebi_ontology def: "An enamide resulting from the formal condensation of (2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acrylic acid with the amino group of morpholine. The agricultural fungicide dimethomorph is a mixture of (E)- and (Z)-dimethomorph; only the Z isomer has fungicidal activity." [] subset: 3_STAR synonym: "(2Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one" RELATED [ChEBI] synonym: "Dimethomorph Z" RELATED [ChEBI] synonym: "Z-Dimethomorph" RELATED [ChEBI] xref: CAS:113210-98-3 {source="ChemIDplus"} xref: PMID:12033804 {source="Europe PMC"} xref: PMID:20623489 {source="Europe PMC"} xref: PMID:22902184 {source="Europe PMC"} xref: PMID:23496017 {source="Europe PMC"} xref: Reaxys:11343579 {source="Reaxys"} is_a: CHEBI:140326 ! tertiary carboxamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:51751 ! enamide is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:87134 ! morpholine fungicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22ClNO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNBTYORWCCMPQP-JXAWBTAJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "387.85700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.12374" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1OC)C(=C/C(=O)N1CCOCC1)\\c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83445 name: 2-isopropyl-6-methyl-4-pyrimidinone namespace: chebi_ontology def: "A pyrimidone that is pyrimidin-4(1H)-one substituted by a methyl group at position 6 and an isopropyl group at position 2. It is a metabolite of diazinon." [] subset: 3_STAR synonym: "6-methyl-2-(propan-2-yl)pyrimidin-4(1H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "pyrimidinol" RELATED [ChEBI] xref: Reaxys:13387839 {source="Reaxys"} is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite relationship: is_tautomer_of CHEBI:38629 ! 2-isopropyl-6-methylpyrimidin-4-ol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJPIUNPJBFBUKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.19370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.09496" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)c1nc(=O)cc(C)[nH]1" xsd:string [Term] id: CHEBI:83453 name: thifensulfuron-methyl namespace: chebi_ontology alt_id: CHEBI:9545 def: "A methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds." [] subset: 3_STAR synonym: "methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate" RELATED [Alan_Wood's_Pesticides] synonym: "methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "thiameturon-methyl" RELATED [Alan_Wood's_Pesticides] synonym: "Thifensulfuron methyl" RELATED [KEGG_COMPOUND] xref: AGR:IND20379846 {source="Europe PMC"} xref: AGR:IND20613838 {source="Europe PMC"} xref: AGR:IND21240738 {source="Europe PMC"} xref: AGR:IND21806724 {source="Europe PMC"} xref: AGR:IND603406569 {source="Europe PMC"} xref: AGR:IND93001444 {source="Europe PMC"} xref: CAS:79277-27-3 {source="Alan Wood's Pesticides"} xref: CAS:79277-27-3 {source="ChemIDplus"} xref: CAS:79277-27-3 {source="KEGG COMPOUND"} xref: KEGG:C10957 xref: Pesticides:derivatives/thifensulfuron-methyl {source="Alan Wood's Pesticides"} xref: PMID:17071910 {source="Europe PMC"} xref: PMID:23276408 {source="Europe PMC"} xref: PMID:23374295 {source="Europe PMC"} xref: PMID:23598033 {source="Europe PMC"} xref: PMID:25773196 {source="Europe PMC"} xref: PPDB:635 xref: Reaxys:7448062 {source="Reaxys"} is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:26961 ! thiophenes is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_functional_parent CHEBI:132053 ! thifensulfuron relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13N5O6S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHTPATJNIAFOLR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "387.394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "387.03073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S1C=CC(=C1C(OC)=O)S(NC(=O)NC=2N=C(N=C(N2)OC)C)(=O)=O" xsd:string [Term] id: CHEBI:83454 name: trinexapac namespace: chebi_ontology def: "A monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl." [] subset: 3_STAR synonym: "(RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylic acid" RELATED [Alan_Wood's_Pesticides] synonym: "4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid" RELATED [Alan_Wood's_Pesticides] synonym: "4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "cimectacarb" RELATED [Alan_Wood's_Pesticides] synonym: "cimetacarb" RELATED [Alan_Wood's_Pesticides] xref: CAS:104273-73-6 {source="Alan Wood's Pesticides"} xref: CAS:104273-73-6 {source="ChemIDplus"} xref: CAS:143294-89-7 {source="ChemIDplus"} xref: Pesticides:trinexapac {source="Alan Wood's Pesticides"} xref: PMID:13129284 {source="Europe PMC"} xref: Reaxys:11657039 {source="Reaxys"} is_a: CHEBI:23482 ! cyclohexanones is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33823 ! enol is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:55380 ! beta-hydroxy ketone relationship: has_role CHEBI:26155 ! plant growth regulator relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:73193 ! gibberellin biosynthesis inhibitor relationship: has_role CHEBI:83399 ! marine xenobiotic metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFFWZNDCNBOKDI-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "224.210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "224.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C/1(\\C(CC(CC1=O)C(O)=O)=O)=C(\\C2CC2)/O" xsd:string [Term] id: CHEBI:83455 name: 5-methyl-1H-benzotriazole namespace: chebi_ontology def: "A member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5." [] subset: 3_STAR synonym: "5-methyl-1H-benzotriazole" EXACT IUPAC_NAME [IUPAC] synonym: "5-Tolyltriazole" RELATED [NIST_Chemistry_WebBook] synonym: "Tolutriazole" RELATED [NIST_Chemistry_WebBook] xref: CAS:136-85-6 {source="NIST Chemistry WebBook"} xref: PMID:24621328 {source="Europe PMC"} xref: PMID:24746525 {source="Europe PMC"} xref: Reaxys:116658 {source="Reaxys"} is_a: CHEBI:48912 ! benzotriazoles relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LRUDIIUSNGCQKF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.15060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.06400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc2[nH]nnc2c1" xsd:string [Term] id: CHEBI:83465 name: sulcotrione namespace: chebi_ontology def: "An aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2." [] subset: 3_STAR synonym: "2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione" EXACT IUPAC_NAME [IUPAC] xref: CAS:99105-77-8 {source="ChemIDplus"} xref: Pesticides:sulcotrione {source="Alan Wood's Pesticides"} xref: PMID:23821594 {source="Europe PMC"} xref: PMID:25052526 {source="Europe PMC"} xref: PMID:25331320 {source="Europe PMC"} xref: PPDB:600 xref: Reaxys:8155739 {source="Reaxys"} is_a: CHEBI:140323 ! beta-triketone is_a: CHEBI:23482 ! cyclohexanones is_a: CHEBI:35850 ! sulfone is_a: CHEBI:76224 ! aromatic ketone relationship: has_role CHEBI:138208 ! carotenoid biosynthesis inhibitor relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H13ClO5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PQTBTIFWAXVEPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.76800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.01722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1" xsd:string [Term] id: CHEBI:83491 name: perfluoropentanoic acid namespace: chebi_ontology def: "A monocarboxylic acid that is perfluorinated pentanoic acid." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid" RELATED [ChemIDplus] synonym: "nonafluoro-1-pentanoic acid" RELATED [ChemIDplus] synonym: "nonafluoropentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "perfluorovaleric acid" RELATED [ChemIDplus] xref: CAS:2706-90-3 {source="ChemIDplus"} xref: PMID:24206563 {source="Europe PMC"} xref: PMID:24867700 {source="Europe PMC"} xref: PMID:24952613 {source="Europe PMC"} xref: Reaxys:1800087 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:17418 ! valeric acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5HF9O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXZGQIAOTKWCDB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "264.046" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.98328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C(C(C(O)=O)(F)F)(F)F)(F)F)(F)(F)F" xsd:string [Term] id: CHEBI:83492 name: perfluorohexanoic acid namespace: chebi_ontology def: "A monocarboxylic acid that is perfluorinated hexanoic acid." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid" RELATED [ChemIDplus] synonym: "undecafluorohexanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:307-24-4 {source="ChemIDplus"} xref: PMID:24113473 {source="Europe PMC"} xref: PMID:24158108 {source="Europe PMC"} xref: PMID:24768527 {source="Europe PMC"} xref: PMID:25377447 {source="Europe PMC"} xref: Reaxys:1805852 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:30776 ! hexanoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HF11O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXUULQAPEKKVAH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "314.05340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "313.98009" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83493 name: perfluoroundecanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is perfluorinated undecanoic acid." [] subset: 3_STAR synonym: "henicosafluoroundecanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:2058-94-8 {source="ChemIDplus"} xref: PMID:24418714 {source="Europe PMC"} xref: PMID:24486970 {source="Europe PMC"} xref: PMID:24952613 {source="Europe PMC"} xref: Reaxys:2318888 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:32368 ! undecanoic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11HF21O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SIDINRCMMRKXGQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "564.09090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "563.96412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83494 name: 6:2 fluorotelomer unsaturated carboxylic acid namespace: chebi_ontology def: "A fluorotelomer that is oct-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5,6, 6, 7, 7, 8, 8 and 8 respectively." [] subset: 3_STAR synonym: "3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid" EXACT IUPAC_NAME [IUPAC] xref: PMID:23229192 {source="Europe PMC"} xref: Reaxys:2172389 {source="Reaxys"} is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid is_a: CHEBI:83814 ! fluorotelomer relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H2F12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H2F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BKOBFLVYTXYFQZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "358.081" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.98632" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(C(F)(F)F)(F)F)(C(C(C(=C(C(O)=O)[H])F)(F)F)(F)F)(F)F" xsd:string [Term] id: CHEBI:83495 name: 8:2 fluorotelomer unsaturated carboxylic acid namespace: chebi_ontology def: "A fluorotelomer that is dec-2-enoic acid substituted by fluoro groups at positions 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10 and 10 respectively." [] subset: 3_STAR synonym: "3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:2192188 {source="Reaxys"} is_a: CHEBI:79020 ! alpha,beta-unsaturated monocarboxylic acid is_a: CHEBI:83814 ! fluorotelomer relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77853 ! persistent organic pollutant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H2F16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHZXTVOEGZRRJM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "458.09610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "457.97993" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83499 name: climbazole namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-climbazole. It is a topically applied antifungal agent used to treat human fungal skin infections." [] subset: 3_STAR synonym: "(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one" RELATED [Alan_Wood's_Pesticides] synonym: "1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone" RELATED [ChEBI] synonym: "climbazol" RELATED INN [ChemIDplus] synonym: "climbazol" RELATED [ChEBI] synonym: "climbazole" RELATED INN [WHO_MedNet] synonym: "Climbazolum" RELATED INN [ChemIDplus] synonym: "rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:38083-17-9 {source="ChemIDplus"} xref: Patent:DE102012203240 xref: Pesticides:climbazole {source="Alan Wood's Pesticides"} xref: PMID:11552297 {source="Europe PMC"} xref: PMID:11824557 {source="Europe PMC"} xref: PMID:18950734 {source="Europe PMC"} xref: PMID:21272039 {source="Europe PMC"} xref: PMID:23542433 {source="Europe PMC"} xref: PMID:23958691 {source="Europe PMC"} xref: PMID:23982925 {source="Europe PMC"} xref: PMID:24811958 {source="Europe PMC"} xref: PMID:25794970 {source="Europe PMC"} xref: PMID:27378240 {source="Europe PMC"} xref: Reaxys:618020 {source="Reaxys"} xref: Wikipedia:Climbazole is_a: CHEBI:60911 ! racemate is_a: CHEBI:87069 ! imidazole antifungal drug is_a: CHEBI:87071 ! conazole antifungal drug relationship: has_part CHEBI:83720 ! (R)-climbazole relationship: has_part CHEBI:83722 ! (S)-climbazole relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.09786" xsd:string [Term] id: CHEBI:83500 name: tritosulfuron namespace: chebi_ontology def: "A sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom." [] subset: 3_STAR synonym: "1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea" RELATED [ChEBI] synonym: "N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:142469-14-5 {source="ChemIDplus"} xref: Patent:EA013226 xref: Patent:NZ541924 xref: Patent:NZ570537 xref: Pesticides:tritosulfuron {source="Alan Wood's Pesticides"} xref: PMID:17311398 {source="Europe PMC"} xref: PPDB:674 xref: Reaxys:11343519 {source="Reaxys"} is_a: CHEBI:26588 ! 1,3,5-triazines is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:47857 ! ureas is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H9F6N5O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVEQCVKVIFQSGC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "445.29700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "445.02794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F" xsd:string [Term] id: CHEBI:83501 name: acesulfame def: "A sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6." [] comment: LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener. xref: Codex:\:950 xref: Europe:\:950 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2976 is_a: CHEBI:25693 ! organic heteromonocyclic compound is_a: CHEBI:38101 ! organonitrogen heterocyclic compound is_a: CHEBI:38104 ! oxacycle is_a: CHEBI:48199 ! sulfamate ester property_value: hasSynonym "acesulfame potassium" xsd:string property_value: IAO:0000118 "acesulfame k" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83502 name: foramsulfuron namespace: chebi_ontology def: "A member of the class of benzamides that is N,N-dimethylbenzamide substituted by a formylamino group at position 4 and a [(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl group at position 2." [] subset: 3_STAR synonym: "1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(dimethylcarbamoyl)-5-formamidophenylsulfonyl]urea" RELATED [Alan_Wood's_Pesticides] synonym: "2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-(formylamino)-N,N-dimethylbenzamide" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND44682995 {source="Europe PMC"} xref: CAS:173159-57-4 {source="ChemIDplus"} xref: Patent:NZ570537 xref: Pesticides:foramsulfuron {source="Alan Wood's Pesticides"} xref: PMID:25180862 {source="Europe PMC"} xref: PPDB:357 xref: Reaxys:11343669 {source="Reaxys"} is_a: CHEBI:22702 ! benzamides is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:47857 ! ureas relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20N6O7S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXDNXJSDGQBLKS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "452.44200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "452.11142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1" xsd:string [Term] id: CHEBI:83503 name: neotame def: "A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage." [] comment: LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, sweetener.\n\n\nNeotame is an artificial sweetener made by NutraSweet that is between 7,000 and 13,000 times as sweet as sucrose (table sugar). Neotame was approved by the Food and Drug Administration (FDA) for general use in July 2002, and has now been approved by the EU to become a classified E number (E961), but it is not yet widely used in food products. Neotame also is approved for use in Australia and New Zealand. It is assigned the International Numbering System (INS) food additive code 961. xref: Codex:\:961 xref: Europe:\:961 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4439 is_a: CHEBI:46761 ! dipeptide property_value: IAO:0000118 "neotame" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83505 name: perfluorooctane sulfonamidoacetic acid namespace: chebi_ontology def: "A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom." [] subset: 3_STAR synonym: "N-[(heptadecafluorooctyl)sulfonyl]glycine" EXACT IUPAC_NAME [IUPAC] xref: PMID:24468635 {source="Europe PMC"} xref: Reaxys:1811103 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:138089 ! perfluorooctanesulfonamide relationship: has_functional_parent CHEBI:39421 ! perfluorooctane-1-sulfonic acid relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H4F17NO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AYLOUUCBACYHAB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "557.18100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "556.95896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83506 name: N-methylperfluorooctane sulfonamidoacetic acid namespace: chebi_ontology def: "A sulfonamide that is the N-methyl derivative of perfluorooctane sulfonamidoacetic acid." [] subset: 3_STAR synonym: "2-(N-methyl-perfluorooctane sulfonamido) acetic acid" RELATED [ChEBI] synonym: "N-[(heptadecafluorooctyl)sulfonyl]-N-methylglycine" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:9740270 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H6F17NO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNDHIRFIMVNHBN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "571.20700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "570.97461" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83507 name: N-ethylperfluorooctane sulfonamidoacetic acid namespace: chebi_ontology def: "A sulfonamide that is the N-ethyl derivative of perfluorooctane sulfonamidoacetic acid." [] subset: 3_STAR synonym: "2-(N-ethyl-perfluorooctane sulfonamido) acetic acid" RELATED [ChEBI] xref: CAS:2991-50-6 {source="ChemIDplus"} xref: Reaxys:1811212 {source="Reaxys"} is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35358 ! sulfonamide is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H8F17NO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CKRXVVGETMYFIO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "585.23400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "584.99026" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83508 name: perfluorooctyl phosphate namespace: chebi_ontology def: "A monoalkyl phosphate that is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol in which the hydroxyl hydrogen is substituted by a phosphate group." [] subset: 3_STAR synonym: "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25381 ! monoalkyl phosphate is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H6F13O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZTRDYSPWWJCOF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "444.08380" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "443.97961" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83517 name: iooxitalamic acid namespace: chebi_ontology def: "An organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium." [] subset: 3_STAR synonym: "3-(acetylamino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5-acetamido-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid" RELATED [ChEBI] synonym: "acide ioxitalamique" RELATED INN [ChemIDplus] synonym: "acido ioxitalamico" RELATED INN [ChemIDplus] synonym: "acidum ioxitalamicum" RELATED INN [ChemIDplus] synonym: "ioxitalamic acid" RELATED INN [ChemIDplus] xref: CAS:28179-44-4 {source="KEGG DRUG"} xref: CAS:28179-44-4 {source="ChemIDplus"} xref: Drug_Central:4582 {source="DrugCentral"} xref: KEGG:D07418 xref: PMID:3320896 {source="Europe PMC"} xref: PMID:4052146 {source="Europe PMC"} xref: PMID:4645232 {source="Europe PMC"} xref: Reaxys:2903918 {source="Reaxys"} xref: Wikipedia:Ioxitalamic_acid is_a: CHEBI:22160 ! acetamides is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:35735 ! dicarboxylic acid monoamide is_a: CHEBI:37142 ! organoiodine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37338 ! radioopaque medium relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H11I3N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OLAOYPRJVHUHCF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "643.93960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "643.78021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I" xsd:string [Term] id: CHEBI:83518 name: 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone namespace: chebi_ontology def: "A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide." [] subset: 3_STAR synonym: "4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "DCOIT" RELATED [ChEBI] synonym: "dichlorooctylisothiazolinone" RELATED [ChEBI] synonym: "Kathon 930" RELATED [ChemIDplus] xref: CAS:64359-81-5 {source="ChemIDplus"} xref: Patent:NZ524752 xref: Patent:US2010256204 xref: PMID:24850171 {source="Europe PMC"} xref: Reaxys:1110842 {source="Reaxys"} is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:48902 ! 1,2-thiazoles relationship: has_role CHEBI:24127 ! fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17Cl2NOS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PORQOHRXAJJKGK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.23000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.04079" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCn1sc(Cl)c(Cl)c1=O" xsd:string [Term] id: CHEBI:83521 name: sebuthylazine namespace: chebi_ontology def: "A racemate composed of equimolar amounts of (R)- and (S)-sebuthylazine. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "(RS)-N(2)-sec-butyl-6-chloro-N(4)-ethyl-1,3,5-triazine-2,4-diamine" RELATED [Alan_Wood's_Pesticides] synonym: "2-(sec-butylamino)-4-chloro-6-(ethylamino)-s-triazine" RELATED [ChemIDplus] synonym: "6-chloro-N-ethyl-N'-(1-methylpropyl)-1,3,5-triazine-2,4-diamine" RELATED [Alan_Wood's_Pesticides] synonym: "rac-N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "sebutylazine" RELATED [NIST_Chemistry_WebBook] xref: CAS:7286-69-3 {source="ChemIDplus"} xref: CAS:7286-69-3 {source="NIST Chemistry WebBook"} xref: Pesticides:sebuthylazine {source="Alan Wood's Pesticides"} xref: PMID:10817363 {source="Europe PMC"} xref: PMID:12487314 {source="Europe PMC"} xref: PMID:19288539 {source="Europe PMC"} xref: PMID:24141237 {source="Europe PMC"} xref: PMID:24696214 {source="Europe PMC"} xref: Reaxys:650331 {source="Reaxys"} is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:83790 ! (R)-sebuthylazine relationship: has_part CHEBI:83791 ! (S)-sebuthylazine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:83523 name: pethoxamide namespace: chebi_ontology def: "A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide" EXACT IUPAC_NAME [IUPAC] synonym: "pethoxamid" RELATED [ChemIDplus] xref: CAS:106700-29-2 {source="ChemIDplus"} xref: Patent:EP1315420 xref: Patent:WO0217719 xref: Pesticides:pethoxamid {source="Alan Wood's Pesticides"} xref: PPDB:1011 xref: Reaxys:4873772 {source="Reaxys"} is_a: CHEBI:25698 ! ether is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:78840 ! olefinic compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H22ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSWIKHNSBZVWNQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "295.80400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "295.13391" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1" xsd:string [Term] id: CHEBI:83524 name: pinoxaden namespace: chebi_ontology def: "A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops." [] subset: 3_STAR synonym: "8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate" RELATED [Alan_Wood's_Pesticides] xref: CAS:243973-20-8 {source="ChemIDplus"} xref: Pesticides:pinoxaden {source="Alan Wood's Pesticides"} xref: PMID:24485310 {source="Europe PMC"} xref: PMID:24759052 {source="Europe PMC"} xref: PMID:26449612 {source="Europe PMC"} xref: PPDB:528 xref: Reaxys:11330254 {source="Reaxys"} is_a: CHEBI:136684 ! pyrazolooxadiazepine is_a: CHEBI:50784 ! pivalate ester relationship: has_functional_parent CHEBI:141347 ! pinoxaden acid relationship: has_role CHEBI:136646 ! proherbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H32N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MGOHCFMYLBAPRN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.51120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "400.23621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=O" xsd:string [Term] id: CHEBI:83531 name: moclobemide namespace: chebi_ontology def: "A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression." [] subset: 3_STAR synonym: "4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide" EXACT IUPAC_NAME [IUPAC] synonym: "moclobemida" RELATED INN [ChemIDplus] synonym: "moclobemide" RELATED INN [ChemIDplus] synonym: "moclobemidum" RELATED INN [ChemIDplus] xref: CAS:71320-77-9 {source="ChemIDplus"} xref: CAS:71320-77-9 {source="NIST Chemistry WebBook"} xref: CAS:71320-77-9 {source="KEGG DRUG"} xref: Drug_Central:1825 {source="DrugCentral"} xref: DrugBank:DB01171 xref: HMDB:HMDB0015302 xref: KEGG:D02561 xref: LINCS:LSM-5247 xref: PMID:23616181 {source="Europe PMC"} xref: PMID:24859491 {source="Europe PMC"} xref: PMID:24863864 {source="Europe PMC"} xref: PMID:25335956 {source="Europe PMC"} xref: Reaxys:530974 {source="Reaxys"} is_a: CHEBI:22702 ! benzamides is_a: CHEBI:38785 ! morpholines is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H17ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YHXISWVBGDMDLQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.73900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.09786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(cc1)C(=O)NCCN1CCOCC1" xsd:string [Term] id: CHEBI:83535 name: neohesperidin dihydrochalcone namespace: chebi_ontology def: "A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange." [] subset: 3_STAR synonym: "3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] xref: CAS:20702-77-6 {source="ChemIDplus"} xref: HMDB:HMDB0030542 xref: Patent:KR20110088743 xref: Patent:WO2011066754 xref: PMID:23562496 {source="Europe PMC"} xref: PMID:24274324 {source="Europe PMC"} xref: PMID:24530446 {source="Europe PMC"} xref: Reaxys:4285336 {source="Reaxys"} xref: Wikipedia:Neohesperidin_dihydrochalcone is_a: CHEBI:25495 ! neohesperidoside is_a: CHEBI:71230 ! dihydrochalcones relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50505 ! sweetening agent relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H36O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ITVGXXMINPYUHD-CUVHLRMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "612.57640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "612.20542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O" xsd:string [Term] id: CHEBI:83536 name: 1-(3-(trifluoromethyl)phenyl)piperazine namespace: chebi_ontology def: "A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug." [] subset: 3_STAR synonym: "1-(m-trifluoromethylphenyl)piperazine" RELATED [ChemIDplus] synonym: "1-[3-(trifluoromethyl)phenyl]piperazine" EXACT IUPAC_NAME [IUPAC] synonym: "3-trifluoromethylphenylpiperazine" RELATED [ChEBI] synonym: "N-(alpha,alpha,alpha-trifluoro-3-tolyl)piperazine" RELATED [NIST_Chemistry_WebBook] synonym: "TFMPP" RELATED [ChEBI] xref: CAS:15532-75-9 {source="ChemIDplus"} xref: CAS:15532-75-9 {source="NIST Chemistry WebBook"} xref: LINCS:LSM-24939 xref: PMID:23890650 {source="Europe PMC"} xref: PMID:24547667 {source="Europe PMC"} xref: PMID:24810679 {source="Europe PMC"} xref: PMID:24968061 {source="Europe PMC"} xref: Reaxys:614217 {source="Reaxys"} xref: Wikipedia:Trifluoromethylphenylpiperazine is_a: CHEBI:46848 ! N-arylpiperazine is_a: CHEBI:83565 ! (trifluoromethyl)benzenes relationship: has_role CHEBI:35471 ! psychotropic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35941 ! serotonergic agonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H13F3N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KKIMDKMETPPURN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.10308" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C(F)(F)F)C=CC=C1N2CCNCC2" xsd:string [Term] id: CHEBI:83537 name: 1-benzylpiperazine namespace: chebi_ontology def: "A tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug." [] subset: 3_STAR synonym: "1-benzylpiperazine" EXACT IUPAC_NAME [IUPAC] synonym: "Benzylpiperazine" RELATED [ChemIDplus] synonym: "BZP" RELATED [NIST_Chemistry_WebBook] synonym: "N-Benzylpiperazine" RELATED [ChemIDplus] xref: CAS:2759-28-6 {source="ChemIDplus"} xref: CAS:2759-28-6 {source="NIST Chemistry WebBook"} xref: PMID:23685794 {source="Europe PMC"} xref: PMID:24486525 {source="Europe PMC"} xref: Reaxys:141624 {source="Reaxys"} xref: Wikipedia:Benzylpiperazine is_a: CHEBI:46845 ! N-alkylpiperazine relationship: has_role CHEBI:35471 ! psychotropic drug relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35941 ! serotonergic agonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H16N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQXXEPZFOOTTBA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.25810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.13135" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(N1CCNCC1)c1ccccc1" xsd:string [Term] id: CHEBI:83539 name: bisperfluorooctyl phosphate namespace: chebi_ontology def: "A dialkyl phosphate in which the alkyl group specified is perfluorooctyl." [] subset: 3_STAR synonym: "bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate" EXACT IUPAC_NAME [IUPAC] xref: CAS:57677-95-9 {source="ChemIDplus"} xref: Reaxys:10634221 {source="Reaxys"} is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H9F26O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDYYWMSLMLTXDM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "790.17250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "789.98233" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83540 name: bisperfluorodecyl phosphate namespace: chebi_ontology def: "A dialkyl phosphate in which the alkyl group specified is perfluorodecyl." [] subset: 3_STAR synonym: "bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate" EXACT IUPAC_NAME [IUPAC] xref: CAS:678-41-1 {source="ChemIDplus"} xref: Reaxys:11121026 {source="Reaxys"} is_a: CHEBI:16648 ! dialkyl phosphate is_a: CHEBI:37143 ! organofluorine compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H9F34O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFWOYEYXUDHGHF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "990.20250" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "989.96955" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83541 name: perfluorodecyl phosphate namespace: chebi_ontology def: "A monoalkyl phosphate in which the alkyl group specified is perfluorodecyl." [] subset: 3_STAR synonym: "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:11121027 {source="Reaxys"} is_a: CHEBI:25381 ! monoalkyl phosphate relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6F17O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MIABSAQIFYEDJP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "544.09890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "543.97322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F" xsd:string [Term] id: CHEBI:83563 name: long-chain alkane namespace: chebi_ontology def: "Any alkane having a chain length of at least 13 carbon atoms." [] subset: 3_STAR synonym: "a long-chain alkane" RELATED [UniProt] is_a: CHEBI:18310 ! alkane property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[H]" xsd:string [Term] id: CHEBI:83565 name: (trifluoromethyl)benzenes namespace: chebi_ontology def: "An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens." [] subset: 3_STAR is_a: CHEBI:22712 ! benzenes is_a: CHEBI:37143 ! organofluorine compound relationship: has_part CHEBI:50127 ! trifluoromethyl group [Term] id: CHEBI:83569 name: pendimethalin namespace: chebi_ontology alt_id: CHEBI:7958 def: "A member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds." [] subset: 3_STAR synonym: "3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline" RELATED [ChemIDplus] synonym: "3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline" EXACT IUPAC_NAME [IUPAC] synonym: "N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine" RELATED [NIST_Chemistry_WebBook] synonym: "N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline" RELATED [ChemIDplus] synonym: "N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine" RELATED [ChemIDplus] synonym: "N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline" RELATED [ChemIDplus] synonym: "pendimethaline" RELATED [ChemIDplus] synonym: "Penoxalin" RELATED [ChemIDplus] synonym: "Penoxaline" RELATED [ChemIDplus] synonym: "Penoxyn" RELATED [ChemIDplus] synonym: "Phenoxalin" RELATED [ChemIDplus] xref: CAS:40487-42-1 {source="ChemIDplus"} xref: CAS:40487-42-1 {source="NIST Chemistry WebBook"} xref: CAS:40487-42-1 {source="KEGG COMPOUND"} xref: KEGG:C11019 xref: Pesticides:pendimethalin {source="Alan Wood's Pesticides"} xref: PMID:22983723 {source="Europe PMC"} xref: PMID:23646829 {source="Europe PMC"} xref: PMID:24007481 {source="Europe PMC"} xref: PMID:24183287 {source="Europe PMC"} xref: PMID:24240661 {source="Europe PMC"} xref: PMID:24293324 {source="Europe PMC"} xref: PMID:24587520 {source="Europe PMC"} xref: PMID:24688423 {source="Europe PMC"} xref: PMID:25145238 {source="Europe PMC"} xref: PMID:25398239 {source="Europe PMC"} xref: PPDB:511 xref: Reaxys:2157711 {source="Reaxys"} xref: Wikipedia:Pendimethalin is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:50995 ! secondary amino compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H19N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CHIFOSRWCNZCFN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "281.30770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "281.13756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83571 name: tribenuron namespace: chebi_ontology alt_id: CHEBI:82046 def: "An N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant." [] subset: 3_STAR synonym: "2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:106040-48-6 {source="ChemIDplus"} xref: CAS:106040-48-6 {source="KEGG COMPOUND"} xref: KEGG:C18900 xref: Pesticides:tribenuron {source="Alan Wood's Pesticides"} xref: PPDB:1556 xref: Reaxys:8348441 {source="Reaxys"} is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:38177 ! methoxy-1,3,5-triazine is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:24527 ! herbicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H15N5O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQZXUHDXIARLEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "381.365" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "381.07430" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC(C)=NC(OC)=N1)N(C(=O)NS(C=2C(C(O)=O)=CC=CC2)(=O)=O)C" xsd:string [Term] id: CHEBI:83575 name: monofluorobenzenes namespace: chebi_ontology def: "Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent." [] subset: 3_STAR synonym: "monofluorobenzenes" EXACT [ChEBI] is_a: CHEBI:35496 ! fluorobenzenes [Term] id: CHEBI:83576 name: trifluorobenzene namespace: chebi_ontology def: "Any member of the class of fluorobenzenes carrying three fluorine substituents at unspecified positions." [] subset: 3_STAR synonym: "trifluorobenzenes" RELATED [ChEBI] is_a: CHEBI:35496 ! fluorobenzenes [Term] id: CHEBI:83590 name: L-(R)-iprovalicarb namespace: chebi_ontology def: "The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1R)-1-(p-tolyl)ethylamine." [] subset: 3_STAR synonym: "isopropyl [(2S)-3-methyl-1-{[(1R)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83593 ! isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWUWYYSKZYIQAE-ZBFHGGJFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.42650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.20999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1ccc(C)cc1" xsd:string [Term] id: CHEBI:83591 name: L-(S)-iprovalicarb namespace: chebi_ontology def: "The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1S)-1-(p-tolyl)ethylamine." [] subset: 3_STAR synonym: "isopropyl [(2S)-3-methyl-1-{[(1S)-1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl]carbamate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83593 ! isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14-,16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWUWYYSKZYIQAE-HOCLYGCPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.42650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.20999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1ccc(C)cc1" xsd:string [Term] id: CHEBI:83593 name: isopropyl (3-methyl-1-\{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate namespace: chebi_ontology def: "A carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate." [] subset: 3_STAR synonym: "isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:11343634 {source="Reaxys"} is_a: CHEBI:22475 ! amino acid amide is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:27267 ! valine derivative property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWUWYYSKZYIQAE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.42650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.20999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1" xsd:string [Term] id: CHEBI:83598 name: 2-(4-\{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid namespace: chebi_ontology def: "A monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2." [] subset: 3_STAR synonym: "2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:26421 ! pyridines is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:37143 ! organofluorine compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YUVKUEAFAVKILW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.07184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(O)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:83599 name: fluazifop-P namespace: chebi_ontology def: "A 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the active enantiomer of the herbicide fluazifop and is the major metabolite of fluazifop-P-butyl." [] subset: 3_STAR synonym: "(+)-(R)-fluazifop" RELATED [ChEBI] synonym: "(+)-fluazifop" RELATED [ChEBI] synonym: "(2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid" RELATED [Alan_Wood's_Pesticides] synonym: "(R)-(+)-fluazifop" RELATED [ChEBI] synonym: "(R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid" RELATED [Alan_Wood's_Pesticides] synonym: "(R)-fluazifop" RELATED [ChEBI] xref: AGR:IND20390341 {source="Europe PMC"} xref: AGR:IND20565494 {source="Europe PMC"} xref: AGR:IND20581162 {source="Europe PMC"} xref: AGR:IND21992457 {source="Europe PMC"} xref: AGR:IND22000227 {source="Europe PMC"} xref: AGR:IND22296775 {source="Europe PMC"} xref: AGR:IND23223208 {source="Europe PMC"} xref: AGR:IND43901152 {source="Europe PMC"} xref: AGR:IND601311753 {source="Europe PMC"} xref: CAS:83066-88-0 {source="Alan Wood's Pesticides"} xref: CAS:83066-88-0 {source="ChemIDplus"} xref: Pesticides:fluazifop-p {source="Alan Wood's Pesticides"} xref: PPDB:813 xref: Reaxys:8852807 {source="Reaxys"} is_a: CHEBI:83598 ! 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:60575 ! phenoxy herbicide relationship: has_role CHEBI:70722 ! EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor relationship: is_enantiomer_of CHEBI:83600 ! (S)-fluazifop property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YUVKUEAFAVKILW-SECBINFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.07184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@@H](C(O)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:83600 name: (S)-fluazifop namespace: chebi_ontology def: "The (S)-enantiomer of 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid. It is the inactive enantiomer of the racemic herbicide fluazifop." [] subset: 3_STAR synonym: "(2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83598 ! 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid relationship: is_enantiomer_of CHEBI:83599 ! fluazifop-P property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12F3NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YUVKUEAFAVKILW-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "327.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "327.07184" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC=C(N=C1)OC2=CC=C(C=C2)O[C@H](C(O)=O)C)C(F)(F)F" xsd:string [Term] id: CHEBI:83628 name: N-acylammonia namespace: chebi_ontology def: "A carboxamide obtained by the formal condensation of the carboxy group of any carboxylic acid with ammonia." [] subset: 3_STAR synonym: "a monocarboxylic acid amide" RELATED [UniProt] is_a: CHEBI:37622 ! carboxamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NOR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.033" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([*])=O" xsd:string [Term] id: CHEBI:83632 name: 2-(butan-2-yl)-4,6-dinitrophenol namespace: chebi_ontology def: "A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2." [] subset: 3_STAR synonym: "2-(butan-2-yl)-4,6-dinitrophenol" EXACT IUPAC_NAME [IUPAC] xref: PPDB:251 is_a: CHEBI:39352 ! dinitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWZPCEFYPSAJFR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.21270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.07462" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83633 name: (R)-dinoseb namespace: chebi_ontology def: "The (R)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol." [] subset: 3_STAR synonym: "2-[(2R)-butan-2-yl]-4,6-dinitrophenol" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:3211810 {source="Reaxys"} is_a: CHEBI:83632 ! 2-(butan-2-yl)-4,6-dinitrophenol relationship: is_enantiomer_of CHEBI:83636 ! (S)-dinoseb property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3/t6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWZPCEFYPSAJFR-ZCFIWIBFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.21270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.07462" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83636 name: (S)-dinoseb namespace: chebi_ontology def: "The (S)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol." [] subset: 3_STAR synonym: "2-[(2S)-butan-2-yl]-4,6-dinitrophenol" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:3211811 {source="Reaxys"} is_a: CHEBI:83632 ! 2-(butan-2-yl)-4,6-dinitrophenol relationship: is_enantiomer_of CHEBI:83633 ! (R)-dinoseb property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWZPCEFYPSAJFR-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.21270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "240.07462" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:83638 name: 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide namespace: chebi_ontology def: "An organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom." [] subset: 3_STAR synonym: "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: PPDB:240 is_a: CHEBI:25698 ! ether is_a: CHEBI:26961 ! thiophenes is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18ClNO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYFCTQDENRSOL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.79500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.07468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCC(C)N(C(=O)CCl)c1c(C)csc1C" xsd:string [Term] id: CHEBI:83639 name: (R)-dimethenamid namespace: chebi_ontology def: "A 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide that has R configuration. It is the inactive enantiomer; its (active) enantiomer is the herbicide known as dimethenamid-P; the racemate is the herbicide dimethenamid." [] subset: 3_STAR synonym: "(-)-dimethenamid" RELATED [ChEBI] synonym: "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:163515-13-7 {source="ChEBI"} xref: Reaxys:8319838 {source="Reaxys"} is_a: CHEBI:83638 ! 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide relationship: is_enantiomer_of CHEBI:83640 ! dimethenamid-P property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18ClNO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYFCTQDENRSOL-SECBINFHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.79500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.07468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC[C@@H](C)N(C(=O)CCl)c1c(C)csc1C" xsd:string [Term] id: CHEBI:83640 name: dimethenamid-P namespace: chebi_ontology def: "The (S)-enantiomer of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide. It is the active enantiomer of dimethenamid, a herbicide applied to the soil to control various broad-leaved weeds and grasses." [] subset: 3_STAR synonym: "(+)-dimethenamid" RELATED [ChEBI] synonym: "(S)-dimethenamid" RELATED [ChEBI] synonym: "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:163515-14-8 {source="Alan Wood's Pesticides"} xref: CAS:163515-14-8 {source="ChemIDplus"} xref: Pesticides:dimethenamid-p {source="Alan Wood's Pesticides"} xref: PPDB:241 xref: Reaxys:8319839 {source="Reaxys"} is_a: CHEBI:83638 ! 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:64911 ! antimitotic relationship: is_enantiomer_of CHEBI:83639 ! (R)-dimethenamid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18ClNO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLYFCTQDENRSOL-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.79500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.07468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC[C@H](C)N(C(=O)CCl)c1c(C)csc1C" xsd:string [Term] id: CHEBI:83645 name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide namespace: chebi_ontology def: "An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom." [] subset: 3_STAR synonym: "2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-4435 xref: PPDB:465 is_a: CHEBI:22712 ! benzenes is_a: CHEBI:25698 ! ether is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:62733 ! aromatic amide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H22ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WVQBLGZPHOPPFO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.79400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.13391" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1cccc(C)c1N(C(C)COC)C(=O)CCl" xsd:string [Term] id: CHEBI:83646 name: (R)-metolachlor namespace: chebi_ontology def: "The (R)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide." [] subset: 3_STAR synonym: "2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:178961-20-1 {source="ChemIDplus"} xref: Pesticides:s-metolachlor {source="Alan Wood's Pesticides"} xref: Reaxys:5380713 {source="Reaxys"} is_a: CHEBI:83645 ! 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide relationship: is_enantiomer_of CHEBI:83647 ! (S)-metolachlor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H22ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WVQBLGZPHOPPFO-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.79400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.13391" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1cccc(C)c1N([C@H](C)COC)C(=O)CCl" xsd:string [Term] id: CHEBI:83647 name: (S)-metolachlor namespace: chebi_ontology def: "The (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide." [] subset: 3_STAR synonym: "2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:87392-12-9 {source="ChemIDplus"} xref: Pesticides:s-metolachlor {source="Alan Wood's Pesticides"} xref: PPDB:1027 xref: Reaxys:6483536 {source="Reaxys"} is_a: CHEBI:83645 ! 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide relationship: is_enantiomer_of CHEBI:83646 ! (R)-metolachlor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H22ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WVQBLGZPHOPPFO-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "283.79400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.13391" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl" xsd:string [Term] id: CHEBI:83658 name: 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione namespace: chebi_ontology def: "A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6." [] subset: 3_STAR synonym: "5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] xref: PPDB:88 is_a: CHEBI:37141 ! organobromine compound is_a: CHEBI:38337 ! pyrimidone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13BrN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CTSLUCNDVMMDHG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.11600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O" xsd:string [Term] id: CHEBI:83659 name: (R)-bromacil namespace: chebi_ontology def: "The (R)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione." [] subset: 3_STAR synonym: "5-bromo-3-[(2R)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83658 ! 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione relationship: is_enantiomer_of CHEBI:83660 ! (S)-bromacil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13BrN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CTSLUCNDVMMDHG-RXMQYKEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.11600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@H](C)n1c(=O)[nH]c(C)c(Br)c1=O" xsd:string [Term] id: CHEBI:83660 name: (S)-bromacil namespace: chebi_ontology def: "The (S)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione." [] subset: 3_STAR synonym: "5-bromo-3-[(2S)-butan-2-yl]-6-methylpyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83658 ! 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione relationship: is_enantiomer_of CHEBI:83659 ! (R)-bromacil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13BrN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CTSLUCNDVMMDHG-YFKPBYRVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.11600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@H](C)n1c(=O)[nH]c(C)c(Br)c1=O" xsd:string [Term] id: CHEBI:83686 name: (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol namespace: chebi_ontology def: "A member of the class of pyrimidines that is pyrimidin-5-ylmethanol in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 2-chlorophenyl group while the other is replaced by a 4-chlorophenyl group." [] subset: 3_STAR synonym: "(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol" EXACT IUPAC_NAME [IUPAC] xref: PPDB:291 is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H12Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NHOWDZOIZKMVAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.19600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03267" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl" xsd:string [Term] id: CHEBI:83688 name: (R)-fenarimol namespace: chebi_ontology def: "A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has R configuration." [] subset: 3_STAR synonym: "(R)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol" EXACT IUPAC_NAME [IUPAC] xref: PMID:22955670 {source="Europe PMC"} is_a: CHEBI:83686 ! (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol relationship: is_enantiomer_of CHEBI:83689 ! (S)-fenarimol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H12Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H/t17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NHOWDZOIZKMVAI-QGZVFWFLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.19600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03267" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl" xsd:string [Term] id: CHEBI:83689 name: (S)-fenarimol namespace: chebi_ontology def: "A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has S configuration." [] subset: 3_STAR synonym: "(S)-(2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol" EXACT IUPAC_NAME [IUPAC] xref: PMID:22955670 {source="Europe PMC"} is_a: CHEBI:83686 ! (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol relationship: is_enantiomer_of CHEBI:83688 ! (R)-fenarimol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H12Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H/t17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NHOWDZOIZKMVAI-KRWDZBQOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.19600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.03267" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl" xsd:string [Term] id: CHEBI:83719 name: 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one namespace: chebi_ontology def: "A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3." [] subset: 3_STAR synonym: "1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one" EXACT IUPAC_NAME [IUPAC] xref: PPDB:2454 is_a: CHEBI:141498 ! hemiaminal ether is_a: CHEBI:17087 ! ketone is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWEGWHBOCFMBLP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.09786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C" xsd:string [Term] id: CHEBI:83720 name: (R)-climbazole namespace: chebi_ontology def: "The (R)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one." [] subset: 3_STAR synonym: "(1R)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83719 ! 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one relationship: is_enantiomer_of CHEBI:83722 ! (S)-climbazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWEGWHBOCFMBLP-CQSZACIVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.09786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)[C@H](N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C" xsd:string [Term] id: CHEBI:83722 name: (S)-climbazole namespace: chebi_ontology def: "The (S)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one." [] subset: 3_STAR synonym: "(1S)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83719 ! 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one relationship: is_enantiomer_of CHEBI:83720 ! (R)-climbazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OWEGWHBOCFMBLP-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.761" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.09786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)[C@@H](N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C" xsd:string [Term] id: CHEBI:83729 name: 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile namespace: chebi_ontology def: "A nitrile that is hexanenitrile substituted at the 2-position by p-chlorophenyl and (1,2,4-triazol-1-yl)methyl groups." [] subset: 3_STAR synonym: "2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" EXACT IUPAC_NAME [IUPAC] xref: PPDB:478 is_a: CHEBI:18379 ! nitrile is_a: CHEBI:35727 ! triazoles is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZJKXKUJVSEEFU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.77500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.11417" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(Cn1cncn1)(C#N)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83730 name: (R)-myclobutanil namespace: chebi_ontology def: "A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has R configuration." [] subset: 3_STAR synonym: "(+)-myclobutanil" RELATED [ChEBI] synonym: "(2R)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(+)-myclobutanil" RELATED [ChEBI] xref: PMID:21967215 {source="Europe PMC"} xref: PMID:22288843 {source="Europe PMC"} xref: PMID:23939881 {source="Europe PMC"} xref: PMID:24014248 {source="Europe PMC"} xref: PMID:25043148 {source="Europe PMC"} xref: Reaxys:24694089 {source="Reaxys"} is_a: CHEBI:83729 ! 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile relationship: is_enantiomer_of CHEBI:83731 ! (S)-myclobutanil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZJKXKUJVSEEFU-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.77500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.11417" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC[C@@](Cn1cncn1)(C#N)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83731 name: (S)-myclobutanil namespace: chebi_ontology def: "A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has S configuration." [] subset: 3_STAR synonym: "(-)-myclobutanil" RELATED [ChEBI] synonym: "(2S)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-myclobutanil" RELATED [ChEBI] xref: PMID:21967215 {source="Europe PMC"} xref: PMID:22288843 {source="Europe PMC"} xref: PMID:23939881 {source="Europe PMC"} xref: PMID:24014248 {source="Europe PMC"} xref: PMID:25043148 {source="Europe PMC"} xref: Reaxys:9059355 {source="Reaxys"} is_a: CHEBI:83729 ! 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile relationship: is_enantiomer_of CHEBI:83730 ! (R)-myclobutanil property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17ClN4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HZJKXKUJVSEEFU-OAHLLOKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.77500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.11417" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC[C@](Cn1cncn1)(C#N)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83732 name: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione namespace: chebi_ontology def: "A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group." [] subset: 3_STAR synonym: "3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione" EXACT IUPAC_NAME [IUPAC] xref: PPDB:680 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:35356 ! dicarboximide is_a: CHEBI:55374 ! oxazolidinone is_a: CHEBI:78840 ! olefinic compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9Cl2NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSCWZHGZWWDELK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.11100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.99595" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C" xsd:string [Term] id: CHEBI:83733 name: (R)-vinclozolin namespace: chebi_ontology def: "A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (R)-enantiomer of vinclozolin." [] subset: 3_STAR synonym: "(5R)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:8626241 {source="Reaxys"} is_a: CHEBI:83732 ! 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione relationship: is_enantiomer_of CHEBI:83735 ! (S)-vinclozolin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9Cl2NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSCWZHGZWWDELK-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.11100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.99595" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@]1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C" xsd:string [Term] id: CHEBI:83734 name: sterol demethylation inhibitor namespace: chebi_ontology def: "A sterol biosynthesis inhibitor that acts by inhibiting the C14 demethylation step within fungal steroid biosynthesis." [] subset: 3_STAR synonym: "sterol demethylation inhibitors" RELATED [ChEBI] is_a: CHEBI:35718 ! antifungal agent is_a: CHEBI:83317 ! sterol biosynthesis inhibitor [Term] id: CHEBI:83735 name: (S)-vinclozolin namespace: chebi_ontology def: "A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (S)-enantiomer of vinclozolin." [] subset: 3_STAR synonym: "(5S)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83732 ! 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione relationship: is_enantiomer_of CHEBI:83733 ! (R)-vinclozolin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H9Cl2NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FSCWZHGZWWDELK-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.11100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.99595" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@]1(OC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1)C=C" xsd:string [Term] id: CHEBI:83741 name: phospholipid biosynthesis inhibitor namespace: chebi_ontology def: "Any compound that inhibits the biosynthesis of any phospholipid." [] subset: 3_STAR synonym: "phospholipid biosynthesis inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:83742 name: 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid namespace: chebi_ontology def: "A pyridinemonocarboxylic acid that is nicotinic acid which is substituted substituted at position 5 by a methoxymethyl group and at position 2 by a 4,5-dihydro-1H-imidazol-2-yl group, that in turn is substituted by isopropyl, methyl, and oxo groups at positions 4, 4, and 5, respectively." [] subset: 3_STAR synonym: "2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid" RELATED [IUPAC] xref: PPDB:392 is_a: CHEBI:20432 ! imidazolone is_a: CHEBI:25698 ! ether is_a: CHEBI:26420 ! pyridinemonocarboxylic acid is_a: CHEBI:53095 ! imidazolines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUPJIGQFXCQJBK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.13756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC=C(C=C1C(=O)O)COC)C2=NC(C(N2)(C)C(C)C)=O" xsd:string [Term] id: CHEBI:83743 name: (S)-imazamox namespace: chebi_ontology def: "The (S)-enantiomer of 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid." [] subset: 3_STAR synonym: "2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid" RELATED [ChEBI] synonym: "2-[(4S)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5-(methoxymethyl)-2-[(4S)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid" RELATED [IUPAC] xref: PMID:26508428 {source="Europe PMC"} xref: Reaxys:9277755 {source="Reaxys"} is_a: CHEBI:83742 ! 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid relationship: is_conjugate_acid_of CHEBI:133193 ! (S)-imazamox(1-) relationship: is_enantiomer_of CHEBI:83744 ! (R)-imazamox property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUPJIGQFXCQJBK-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.13756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC=C(C=C1C(=O)O)COC)C=2NC([C@](N2)(C)C(C)C)=O" xsd:string [Term] id: CHEBI:83744 name: (R)-imazamox namespace: chebi_ontology def: "The (R)-enantiomer of 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid." [] subset: 3_STAR synonym: "2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinic acid" RELATED [ChEBI] synonym: "2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "5-(methoxymethyl)-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid" RELATED [IUPAC] xref: PMID:26508428 {source="Europe PMC"} xref: Reaxys:9277756 {source="Reaxys"} is_a: CHEBI:83742 ! 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid relationship: is_conjugate_acid_of CHEBI:131899 ! (R)-imazamox(1-) relationship: is_enantiomer_of CHEBI:83743 ! (S)-imazamox property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H19N3O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NUPJIGQFXCQJBK-OAHLLOKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.13756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=NC=C(C=C1C(=O)O)COC)C2=NC([C@@](N2)(C)C(C)C)=O" xsd:string [Term] id: CHEBI:83748 name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol namespace: chebi_ontology def: "A tertiary alcohol that is butan-2-ol substituted by a 4-chlorophenyl group at position 2, a cyclopropyl group at position 3 and a 1H-1,2,4-triazol-1-yl group at position 1." [] subset: 3_STAR synonym: "2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] xref: PPDB:198 is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:35727 ! triazoles is_a: CHEBI:51454 ! cyclopropanes is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNOUKDBUJZYDE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.77600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.11384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83749 name: (2R,3S)-cyproconazole namespace: chebi_ontology def: "The (2R,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol." [] subset: 3_STAR synonym: "(2R,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83748 ! 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol relationship: is_enantiomer_of CHEBI:83752 ! (2S,3R)-cyproconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNOUKDBUJZYDE-XHDPSFHLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.77600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.11384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](C1CC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83750 name: (2S,3S)-cyproconazole namespace: chebi_ontology def: "The (2S,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol." [] subset: 3_STAR synonym: "(2S,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83748 ! 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol relationship: is_enantiomer_of CHEBI:83753 ! (2R,3R)-cyproconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNOUKDBUJZYDE-NHYWBVRUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.77600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.11384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](C1CC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83752 name: (2S,3R)-cyproconazole namespace: chebi_ontology def: "The (2S,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol." [] subset: 3_STAR synonym: "(2S,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83748 ! 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol relationship: is_enantiomer_of CHEBI:83749 ! (2R,3S)-cyproconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNOUKDBUJZYDE-ABAIWWIYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.77600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.11384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](C1CC1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83753 name: (2R,3R)-cyproconazole namespace: chebi_ontology def: "The (2R,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol." [] subset: 3_STAR synonym: "(2R,3R)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83748 ! 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol relationship: is_enantiomer_of CHEBI:83750 ! (2S,3S)-cyproconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFNOUKDBUJZYDE-IAQYHMDHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "291.77600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.11384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](C1CC1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1" xsd:string [Term] id: CHEBI:83758 name: 1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole namespace: chebi_ontology def: "An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups." [] subset: 3_STAR synonym: "1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32955 ! epoxide is_a: CHEBI:35727 ! triazoles is_a: CHEBI:83403 ! monochlorobenzenes is_a: CHEBI:83575 ! monofluorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClFN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMYFCFLJBGAQRS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.75600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.07312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl" xsd:string [Term] id: CHEBI:83759 name: (2S,3R)-epoxiconazole namespace: chebi_ontology def: "The (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole." [] subset: 3_STAR synonym: "1-{[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C11229 is_a: CHEBI:83758 ! 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole relationship: is_enantiomer_of CHEBI:83761 ! (2R,3S)-epoxiconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClFN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMYFCFLJBGAQRS-IAGOWNOFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.75600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.07312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccccc1Cl" xsd:string [Term] id: CHEBI:83761 name: (2R,3S)-epoxiconazole namespace: chebi_ontology def: "The (2R,3S)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole." [] subset: 3_STAR synonym: "1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83758 ! 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole relationship: is_enantiomer_of CHEBI:83759 ! (2S,3R)-epoxiconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13ClFN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMYFCFLJBGAQRS-IRXDYDNUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "329.75600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "329.07312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(cc1)[C@]1(Cn2cncn2)O[C@H]1c1ccccc1Cl" xsd:string [Term] id: CHEBI:83768 name: 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate namespace: chebi_ontology def: "A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group." [] subset: 3_STAR synonym: "2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate" EXACT IUPAC_NAME [IUPAC] xref: PPDB:278 is_a: CHEBI:25223 ! methanesulfonate ester is_a: CHEBI:25698 ! ether is_a: CHEBI:38830 ! 1-benzofurans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IRCMYGHHKLLGHV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.34400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.08749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C" xsd:string [Term] id: CHEBI:83769 name: (S)-ethofumesate namespace: chebi_ontology def: "The (S)-enantiomer of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate." [] subset: 3_STAR synonym: "(2S)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:22877082 {source="Reaxys"} is_a: CHEBI:83768 ! 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate relationship: is_enantiomer_of CHEBI:83770 ! (R)-ethofumesate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IRCMYGHHKLLGHV-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.34400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.08749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCO[C@H]1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C" xsd:string [Term] id: CHEBI:83770 name: (R)-ethofumesate namespace: chebi_ontology def: "The (R)-enantiomer of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate." [] subset: 3_STAR xref: Reaxys:22877081 {source="Reaxys"} is_a: CHEBI:83768 ! 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate relationship: is_enantiomer_of CHEBI:83769 ! (S)-ethofumesate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IRCMYGHHKLLGHV-GFCCVEGCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.34400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.08749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCO[C@@H]1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C" xsd:string [Term] id: CHEBI:83771 name: N,N-diethyl-2-(naphthalen-1-yloxy)propanamide namespace: chebi_ontology def: "A monocarboxylic acid amide that is propanamide substituted by two ethyl groups at the nitrogen atom and a naphthalen-1-yloxy group at position 2." [] subset: 3_STAR synonym: "N,N-diethyl-2-(naphthalen-1-yloxy)propanamide" EXACT IUPAC_NAME [IUPAC] xref: PPDB:481 is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:35618 ! aromatic ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WXZVAROIGSFCFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.35410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.15723" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)C(C)Oc1cccc2ccccc12" xsd:string [Term] id: CHEBI:83772 name: (R)-napropamide namespace: chebi_ontology def: "The (R)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide." [] subset: 3_STAR synonym: "(-)-Napropamide" RELATED [ChemIDplus] synonym: "(2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-Devrinol" RELATED [ChemIDplus] synonym: "D-Napropamide" RELATED [ChemIDplus] synonym: "napropamide-M" RELATED [Alan_Wood's_Pesticides] xref: CAS:41643-35-0 {source="ChemIDplus"} xref: PPDB:2666 xref: Reaxys:26671113 {source="Reaxys"} is_a: CHEBI:83771 ! N,N-diethyl-2-(naphthalen-1-yloxy)propanamide relationship: is_enantiomer_of CHEBI:83773 ! (S)-napropamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WXZVAROIGSFCFJ-CYBMUJFWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.35410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.15723" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)[C@@H](C)Oc1cccc2ccccc12" xsd:string [Term] id: CHEBI:83773 name: (S)-napropamide namespace: chebi_ontology def: "The (S)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide." [] subset: 3_STAR synonym: "(2S)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:26671114 {source="Reaxys"} is_a: CHEBI:83771 ! N,N-diethyl-2-(naphthalen-1-yloxy)propanamide relationship: is_enantiomer_of CHEBI:83772 ! (R)-napropamide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H21NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WXZVAROIGSFCFJ-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.35410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.15723" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)C(=O)[C@H](C)Oc1cccc2ccccc12" xsd:string [Term] id: CHEBI:83779 name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol namespace: chebi_ontology def: "A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively." [] subset: 3_STAR synonym: "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" EXACT IUPAC_NAME [IUPAC] xref: PPDB:610 is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:35727 ! triazoles is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H22ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXMNMQRDXWABCY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.81800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.14514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1" xsd:string [Term] id: CHEBI:8378 name: prednisolone namespace: chebi_ontology def: "A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone." [] subset: 3_STAR synonym: "(11beta)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione" RELATED [ChEBI] synonym: "1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione" RELATED [ChemIDplus] synonym: "1,4-pregnadiene-3,20-dione-11beta,17alpha,21-triol" RELATED [ChemIDplus] synonym: "11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione" EXACT IUPAC_NAME [IUPAC] synonym: "3,20-dioxo-11beta,17alpha,21-trihydroxy-1,4-pregnadiene" RELATED [ChemIDplus] synonym: "Delta(1)-dehydrocortisol" RELATED [ChemIDplus] synonym: "Delta(1)-dehydrohydrocortisone" RELATED [ChemIDplus] synonym: "Delta(1)-hydrocortisone" RELATED [ChemIDplus] synonym: "hydroretrocortine" RELATED [ChemIDplus] synonym: "metacortandralone" RELATED [ChemIDplus] synonym: "prednisolona" RELATED INN [ChemIDplus] synonym: "prednisolone" RELATED INN [WHO_MedNet] synonym: "prednisolone" RELATED INN [ChemIDplus] synonym: "prednisolonum" RELATED INN [ChemIDplus] xref: Beilstein:1354103 {source="ChemIDplus"} xref: CAS:50-24-8 {source="ChemIDplus"} xref: CAS:50-24-8 {source="KEGG COMPOUND"} xref: Drug_Central:2245 {source="DrugCentral"} xref: DrugBank:DB00860 xref: HMDB:HMDB0014998 xref: KEGG:C07369 xref: KEGG:D00472 xref: PMID:11294518 {source="Europe PMC"} xref: PMID:23625982 {source="Europe PMC"} xref: PMID:24392764 {source="Europe PMC"} xref: Reaxys:1354103 {source="Reaxys"} xref: VSDB:1848 xref: Wikipedia:Prednisolone is_a: CHEBI:139590 ! primary alpha-hydroxy ketone is_a: CHEBI:139592 ! tertiary alpha-hydroxy ketone is_a: CHEBI:24261 ! glucocorticoid is_a: CHEBI:35342 ! 17alpha-hydroxy steroid is_a: CHEBI:35344 ! 21-hydroxy steroid is_a: CHEBI:35346 ! 11beta-hydroxy steroid is_a: CHEBI:36885 ! 20-oxo steroid is_a: CHEBI:61313 ! C21-steroid is_a: CHEBI:77166 ! 3-oxo-Delta(1),Delta(4)-steroid relationship: has_functional_parent CHEBI:34073 ! Delta(1)-progesterone relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:37962 ! adrenergic agent relationship: has_role CHEBI:49103 ! drug metabolite relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H28O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIGNJSKKLXVSLS-VWUMJDOOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.44400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.19367" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO" xsd:string [Term] id: CHEBI:83780 name: (S)-tebuconazole namespace: chebi_ontology def: "The (S)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol." [] subset: 3_STAR synonym: "(3S)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:5749276 {source="Reaxys"} is_a: CHEBI:83779 ! 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol relationship: is_enantiomer_of CHEBI:83781 ! (R)-tebuconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H22ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXMNMQRDXWABCY-MRXNPFEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.81800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.14514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)Cn1cncn1" xsd:string [Term] id: CHEBI:83781 name: (R)-tebuconazole namespace: chebi_ontology def: "The (R)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol." [] subset: 3_STAR synonym: "(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:5749275 {source="Reaxys"} is_a: CHEBI:83779 ! 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol relationship: is_enantiomer_of CHEBI:83780 ! (S)-tebuconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H22ClN3O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXMNMQRDXWABCY-INIZCTEOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.81800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.14514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)Cn1cncn1" xsd:string [Term] id: CHEBI:83786 name: N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6." [] subset: 3_STAR synonym: "N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: PPDB:1203 is_a: CHEBI:38170 ! diamino-1,3,5-triazine is_a: CHEBI:38177 ! methoxy-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJMZZNVGNSWOOM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.29080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.15896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(NC(C)CC)nc(OC)n1" xsd:string [Term] id: CHEBI:83787 name: (R)-secbumeton namespace: chebi_ontology def: "The (R)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine." [] subset: 3_STAR synonym: "N-[(2R)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83786 ! N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine relationship: is_enantiomer_of CHEBI:83788 ! (S)-secbumeton property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/t7-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJMZZNVGNSWOOM-SSDOTTSWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.29080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.15896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(N[C@H](C)CC)nc(OC)n1" xsd:string [Term] id: CHEBI:83788 name: (S)-secbumeton namespace: chebi_ontology def: "The (S)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine." [] subset: 3_STAR synonym: "N-[(2S)-butan-2-yl]-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:83786 ! N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine relationship: is_enantiomer_of CHEBI:83787 ! (R)-secbumeton property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H19N5O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJMZZNVGNSWOOM-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "225.29080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "225.15896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(N[C@@H](C)CC)nc(OC)n1" xsd:string [Term] id: CHEBI:83789 name: N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine namespace: chebi_ontology def: "A diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6." [] subset: 3_STAR synonym: "N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: PPDB:1533 is_a: CHEBI:38168 ! chloro-1,3,5-triazine is_a: CHEBI:38170 ! diamino-1,3,5-triazine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZRUVKZGXNSXMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.10942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(NC(C)CC)n1" xsd:string [Term] id: CHEBI:83790 name: (R)-sebuthylazine namespace: chebi_ontology def: "The (R)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine." [] subset: 3_STAR synonym: "N-[(2R)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:4294505 {source="Reaxys"} is_a: CHEBI:83789 ! N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZRUVKZGXNSXMB-ZCFIWIBFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.10942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(N[C@H](C)CC)n1" xsd:string [Term] id: CHEBI:83791 name: (S)-sebuthylazine namespace: chebi_ontology def: "The (S)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine." [] subset: 3_STAR synonym: "N-[(2S)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" EXACT IUPAC_NAME [IUPAC] xref: CAS:109905-63-7 {source="ChemIDplus"} xref: Reaxys:4294506 {source="Reaxys"} is_a: CHEBI:83789 ! N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H16ClN5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)/t6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BZRUVKZGXNSXMB-LURJTMIESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "229.10942" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNc1nc(Cl)nc(N[C@@H](C)CC)n1" xsd:string [Term] id: CHEBI:83811 name: proteinogenic amino acid derivative namespace: chebi_ontology def: "Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom." [] subset: 3_STAR synonym: "canonical amino acid derivative" RELATED [ChEBI] synonym: "canonical amino acid derivatives" RELATED [ChEBI] synonym: "canonical amino-acid derivative" RELATED [ChEBI] synonym: "canonical amino-acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino acid derivatives" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivative" RELATED [ChEBI] synonym: "proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative relationship: has_functional_parent CHEBI:83813 ! proteinogenic amino acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83812 name: non-proteinogenic amino acid derivative namespace: chebi_ontology def: "Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom." [] subset: 3_STAR synonym: "non-canonical amino acid derivative" RELATED [ChEBI] synonym: "non-canonical amino-acid derivatives" RELATED [ChEBI] synonym: "non-proteinogenic amino-acid derivatives" RELATED [ChEBI] is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:83813 name: proteinogenic amino acid namespace: chebi_ontology def: "Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration." [] subset: 3_STAR synonym: "canonical amino acid" RELATED [ChEBI] synonym: "canonical amino acids" RELATED [ChEBI] synonym: "proteinogenic amino acids" RELATED [ChEBI] xref: Wikipedia:Proteinogenic_amino_acid is_a: CHEBI:33575 ! carboxylic acid is_a: CHEBI:35352 ! organonitrogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83814 name: fluorotelomer namespace: chebi_ontology def: "Any organofluorine compound that is a oligomer or telomer synthesised by telomerization (a chain transfer reaction to produce an oligomer of a limited size). They are generally used in fire-fighting foams, leather protectants, food packaging and stain resistants." [] subset: 3_STAR synonym: "fluorotelomers" RELATED [ChEBI] xref: Wikipedia:Fluorotelomer is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:83818 name: morphinane-like compound namespace: chebi_ontology def: "Any organonitrogen heterocyclic compound based on a morphinan skeleton. These are synthetic or semi-synthetic compounds that resemble the morphinane (opioid) alkaloids in their pharmacological effects." [] subset: 3_STAR synonym: "morphinane-like compopunds" RELATED [ChEBI] is_a: CHEBI:38101 ! organonitrogen heterocyclic compound [Term] id: CHEBI:83820 name: non-proteinogenic amino acid namespace: chebi_ontology def: "Any amino-acid that is not naturally encoded in the genetic code of any organism." [] subset: 3_STAR synonym: "non-canonical amino acid" RELATED [ChEBI] synonym: "non-canonical amino acids" RELATED [ChEBI] synonym: "non-canonical amino-acid" RELATED [ChEBI] synonym: "non-canonical amino-acids" RELATED [ChEBI] synonym: "non-coded amino acid" RELATED [ChEBI] synonym: "non-coded amino acids" RELATED [ChEBI] synonym: "non-coded amino-acid" RELATED [ChEBI] synonym: "non-coded amino-acids" RELATED [ChEBI] synonym: "non-proteinogenic amino acids" RELATED [ChEBI] synonym: "non-proteinogenic amino-acid" RELATED [ChEBI] synonym: "non-proteinogenic amino-acids" RELATED [ChEBI] xref: Wikipedia:Non-proteinogenic_amino_acids is_a: CHEBI:33709 ! amino acid [Term] id: CHEBI:83821 name: amino acid derivative namespace: chebi_ontology alt_id: CHEBI:25359 def: "Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues." [] subset: 3_STAR synonym: "amino acid derivatives" RELATED [ChEBI] synonym: "modified amino acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83822 name: non-proteinogenic L-alpha-amino acid namespace: chebi_ontology def: "Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids." [] subset: 3_STAR synonym: "non-proteinogenic L-alpha-amino acids" RELATED [ChEBI] is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid [Term] id: CHEBI:83824 name: L-cysteine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom." [] subset: 3_STAR synonym: "L-cysteine derivatives" RELATED [ChEBI] is_a: CHEBI:23509 ! cysteine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:17561 ! L-cysteine [Term] id: CHEBI:83829 name: 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole namespace: chebi_ontology def: "A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group." [] subset: 3_STAR synonym: "1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-4333 xref: PPDB:390 xref: VSDB:390 is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:24780 ! imidazoles is_a: CHEBI:25698 ! ether property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PZBPKYOVPCNPJY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.18000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.04832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1" xsd:string [Term] id: CHEBI:83830 name: (S)-enilconazole namespace: chebi_ontology def: "A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (S)-enantiomer of enilconazole" [] subset: 3_STAR synonym: "(+)-enilconazole" RELATED [ChEBI] synonym: "(+)-imazalil" RELATED [ChEBI] synonym: "(S)-imazalil" RELATED [ChEBI] synonym: "1-[(2S)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole" EXACT IUPAC_NAME [IUPAC] xref: CAS:166734-82-3 {source="ChemIDplus"} xref: Reaxys:15398137 {source="Reaxys"} is_a: CHEBI:83829 ! 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole relationship: is_enantiomer_of CHEBI:83831 ! (R)-enilconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PZBPKYOVPCNPJY-CQSZACIVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.18000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.04832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc([C@@H](Cn2ccnc2)OCC=C)c(Cl)c1" xsd:string [Term] id: CHEBI:83831 name: (R)-enilconazole namespace: chebi_ontology def: "A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (R)-enantiomer of enilconazole." [] subset: 3_STAR synonym: "(-)-enilconazole" RELATED [ChEBI] synonym: "(-)-imazalil" RELATED [ChEBI] synonym: "(R)-imazalil" RELATED [ChEBI] synonym: "1-[(2R)-2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole" EXACT IUPAC_NAME [IUPAC] xref: CAS:166734-81-2 {source="ChemIDplus"} xref: Reaxys:15398138 {source="Reaxys"} is_a: CHEBI:83829 ! 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole relationship: is_enantiomer_of CHEBI:83830 ! (S)-enilconazole property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14Cl2N2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PZBPKYOVPCNPJY-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.18000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.04832" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccc([C@H](Cn2ccnc2)OCC=C)c(Cl)c1" xsd:string [Term] id: CHEBI:8386 name: pregnane namespace: chebi_ontology subset: 3_STAR synonym: "pregnane" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_instance:LMST02030000 {source="LIPID MAPS"} xref: Wikipedia:Pregnane is_a: CHEBI:35508 ! steroid fundamental parent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H36" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWMFYGXQPXQEEM-WZBAXQLOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.51054" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.28170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CCC4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C" xsd:string [Term] id: CHEBI:8389 name: estrone sodium sulfate namespace: chebi_ontology subset: 3_STAR synonym: "17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate" RELATED [ChemIDplus] synonym: "Estrogenic substances (conjugated)" RELATED [ChemIDplus] synonym: "Estrone sodium sulfate" EXACT [ChemIDplus] synonym: "Estrone sulfate sodium" RELATED [ChEBI] synonym: "Estrone-3-sulfate sodium salt" RELATED [ChemIDplus] synonym: "Oestrone-3-sulphate sodium salt" RELATED [ChemIDplus] synonym: "Premarin" RELATED BRAND_NAME [DrugBank] synonym: "sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium estrone 3-sulfate" RELATED [ChemIDplus] xref: Beilstein:3835414 {source="Beilstein"} xref: CAS:438-67-5 {source="ChemIDplus"} xref: DrugBank:DB00286 xref: KEGG:D00312 is_a: CHEBI:16158 ! steroid sulfate is_a: CHEBI:38700 ! organic sodium salt relationship: has_functional_parent CHEBI:17263 ! estrone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H21O5S.Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUCAHVBMSFIGAI-ZFINNJDLSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "372.41211" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "372.10074" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21" xsd:string [Term] id: CHEBI:83925 name: non-proteinogenic alpha-amino acid namespace: chebi_ontology def: "Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids." [] subset: 3_STAR synonym: "non-proteinogenic alpha-amino acids" RELATED [ChEBI] synonym: "non-proteinogenic alpha-amino-acid" RELATED [ChEBI] synonym: "non-proteinogenic alpha-amino-acids" RELATED [ChEBI] is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:83820 ! non-proteinogenic amino acid [Term] id: CHEBI:83943 name: L-alanine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-alanine by a heteroatom." [] subset: 3_STAR synonym: "L-alanine derivatives" RELATED [ChEBI] is_a: CHEBI:22278 ! alanine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16977 ! L-alanine [Term] id: CHEBI:83944 name: D-alanine derivative namespace: chebi_ontology def: "A non-proteinogenic amino acid derivative resulting from reaction of D-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-alanine by a heteroatom." [] subset: 3_STAR synonym: "D-alanine derivatives" RELATED [ChEBI] is_a: CHEBI:22278 ! alanine derivative is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:15570 ! D-alanine [Term] id: CHEBI:83955 name: 2-saturated fatty acid anion namespace: chebi_ontology def: "A fatty acid anion obtained by deprotonation of the carboxy group of any 2-saturated fatty acid." [] subset: 3_STAR synonym: "1,2-saturated fatty acid anion" RELATED [ChEBI] synonym: "a 1,2-saturated fatty acid" RELATED [UniProt] is_a: CHEBI:28868 ! fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.036" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C[*]" xsd:string [Term] id: CHEBI:83970 name: cardiac glycoside namespace: chebi_ontology def: "Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles." [] subset: 3_STAR synonym: "cardiac glycosides" RELATED [ChEBI] xref: Wikipedia:Cardiac_glycoside is_a: CHEBI:24400 ! glycoside is_a: CHEBI:26766 ! steroid lactone relationship: has_role CHEBI:77307 ! cardioprotective agent [Term] id: CHEBI:83972 name: 3-methyl fatty acid anion namespace: chebi_ontology def: "A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3." [] subset: 3_STAR synonym: "3-methyl fatty acid" RELATED [UniProt] synonym: "3-methyl-branched fatty acid anion" RELATED [ChEBI] synonym: "3-methyl-branched fatty acid(1-)" RELATED [SUBMITTER] is_a: CHEBI:67013 ! methyl-branched fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.089" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([*])CC([O-])=O" xsd:string [Term] id: CHEBI:83976 name: 2-methyl fatty acid anion namespace: chebi_ontology def: "A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 2-methyl fatty acid; major species at pH 7.3." [] subset: 3_STAR synonym: "2-methyl fatty acid(1-)" RELATED [SUBMITTER] synonym: "2-methyl-branched fatty acid anion" RELATED [ChEBI] synonym: "2-methyl-branched fatty acid(1-)" RELATED [ChEBI] synonym: "a 2-methyl fatty acid" RELATED [UniProt] is_a: CHEBI:67013 ! methyl-branched fatty acid anion property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "72.063" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC([*])C([O-])=O" xsd:string [Term] id: CHEBI:83982 name: L-glutamic acid derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom." [] subset: 3_STAR synonym: "L-glutamic acid derivatives" RELATED [ChEBI] is_a: CHEBI:24315 ! glutamic acid derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16015 ! L-glutamic acid property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:83986 name: ethylenebis(dithiocarbamic acid) namespace: chebi_ontology def: "A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine." [] subset: 3_STAR synonym: "ethane-1,2-diyldicarbamodithioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "ethylenebisdithiocarbamic acid" RELATED [ChemIDplus] synonym: "N,N'-(ethylene)bisdithiocarbamic acid" RELATED [ChEBI] synonym: "N,N'-ethanediylbis(dithiocarbamic acid)" RELATED [ChEBI] xref: CAS:111-54-6 {source="ChemIDplus"} xref: Reaxys:1772091 {source="Reaxys"} is_a: CHEBI:78787 ! dithiocarbamic acids relationship: has_functional_parent CHEBI:30347 ! ethylenediamine relationship: is_conjugate_acid_of CHEBI:77308 ! ethylenebis(dithiocarbamate) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8N2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2S4/c7-3(8)5-1-2-6-4(9)10/h1-2H2,(H2,5,7,8)(H2,6,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWYFNIZYMPNGAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.38000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.95703" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC(=S)NCCNC(S)=S" xsd:string [Term] id: CHEBI:84002 name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one namespace: chebi_ontology def: "A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group." [] subset: 3_STAR synonym: "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-4424 xref: PPDB:648 is_a: CHEBI:141498 ! hemiaminal ether is_a: CHEBI:17087 ! ketone is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:35727 ! triazoles is_a: CHEBI:83403 ! monochlorobenzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WURBVZBTWMNKQT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.74900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.09310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1" xsd:string [Term] id: CHEBI:84003 name: (R)-triadimefon namespace: chebi_ontology def: "A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (R)-enantiomer of triadimefon." [] subset: 3_STAR synonym: "(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:73804-20-3 {source="ChemIDplus"} xref: Reaxys:20863307 {source="Reaxys"} is_a: CHEBI:84002 ! 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one relationship: is_enantiomer_of CHEBI:84004 ! (S)-triadimefon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3/t13-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WURBVZBTWMNKQT-CYBMUJFWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.74900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.09310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1cncn1" xsd:string [Term] id: CHEBI:84004 name: (S)-triadimefon namespace: chebi_ontology def: "A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (S)-enantiomer of triadimefon." [] subset: 3_STAR synonym: "(1S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:89497-67-6 {source="ChemIDplus"} xref: Reaxys:20863308 {source="Reaxys"} is_a: CHEBI:84002 ! 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one relationship: is_enantiomer_of CHEBI:84003 ! (R)-triadimefon property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WURBVZBTWMNKQT-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.74900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.09310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1" xsd:string [Term] id: CHEBI:84055 name: pentose phosphate namespace: chebi_ontology def: "Any phospho sugar that is the phosphate derivative of pentose." [] subset: 3_STAR synonym: "pentose phosphates" RELATED [ChEBI] is_a: CHEBI:33447 ! phospho sugar is_a: CHEBI:63409 ! pentose derivative [Term] id: CHEBI:84069 name: pentanal namespace: chebi_ontology alt_id: CHEBI:45074 def: "A saturated fatty aldehyde composed from five carbons in a straight chain." [] subset: 3_STAR synonym: "Amyl aldehyde" RELATED [ChemIDplus] synonym: "Amylaldehyde" RELATED [ChemIDplus] synonym: "n-Pentanal" RELATED [ChemIDplus] synonym: "n-Valeraldehyde" RELATED [ChemIDplus] synonym: "pentanal" EXACT [UniProt] synonym: "Pentyl aldehyde" RELATED [ChemIDplus] synonym: "Valeral" RELATED [ChemIDplus] synonym: "valeraldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Valeric aldehyde" RELATED [ChemIDplus] synonym: "Valeryl aldehyde" RELATED [ChemIDplus] synonym: "Valerylaldehyde" RELATED [ChemIDplus] xref: CAS:110-62-3 {source="NIST Chemistry WebBook"} xref: CAS:110-62-3 {source="ChemIDplus"} xref: HMDB:HMDB0031206 xref: MetaCyc:CPD-9053 xref: PDBeChem:PTL xref: PMID:25466114 {source="Europe PMC"} xref: PMID:25616527 {source="Europe PMC"} xref: Reaxys:1616304 {source="Reaxys"} xref: Wikipedia:Pentanal is_a: CHEBI:133249 ! saturated fatty aldehyde relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HGBOYTHUEUWSSQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.13230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC=O" xsd:string [Term] id: CHEBI:84087 name: human urinary metabolite namespace: chebi_ontology def: "Any metabolite (endogenous or exogenous) found in human urine samples." [] subset: 3_STAR synonym: "human urinary metabolites" RELATED [ChEBI] is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:8412 name: primidone namespace: chebi_ontology def: "A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures." [] subset: 3_STAR synonym: "2-deoxyphenobarbital" RELATED [ChemIDplus] synonym: "5-ethyl-5-phenyldihydropyrimidine-4,6(1H,5H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione" RELATED [KEGG_COMPOUND] synonym: "primidona" RELATED INN [ChemIDplus] synonym: "primidone" RELATED INN [ChemIDplus] synonym: "primidonum" RELATED INN [ChemIDplus] xref: CAS:125-33-7 {source="KEGG COMPOUND"} xref: CAS:125-33-7 {source="ChemIDplus"} xref: Drug_Central:2267 {source="DrugCentral"} xref: DrugBank:DB00794 xref: HMDB:HMDB0014932 xref: KEGG:C07371 xref: KEGG:D00474 xref: LINCS:LSM-2700 xref: PMID:10716065 {source="Europe PMC"} xref: PMID:17253477 {source="Europe PMC"} xref: PMID:24712318 {source="Europe PMC"} xref: PMID:24812533 {source="Europe PMC"} xref: Reaxys:218034 {source="Reaxys"} xref: Wikipedia:Primidone is_a: CHEBI:38337 ! pyrimidone relationship: has_role CHEBI:35623 ! anticonvulsant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DQMZLTXERSFNPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "218.25180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1(C(=O)NCNC1=O)c1ccccc1" xsd:string [Term] id: CHEBI:84124 name: D-tyrosine derivative namespace: chebi_ontology def: "A non-proteinogenic amino acid derivative resulting from reaction of D-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-tyrosine by a heteroatom." [] subset: 3_STAR synonym: "D-tyrosine derivatives" RELATED [ChEBI] is_a: CHEBI:62761 ! tyrosine derivative is_a: CHEBI:84143 ! D-phenylalanine derivative relationship: has_functional_parent CHEBI:28479 ! D-tyrosine [Term] id: CHEBI:84129 name: L-valine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-valine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-valine by a heteroatom." [] subset: 3_STAR synonym: "L-valine derivatives" RELATED [ChEBI] is_a: CHEBI:27267 ! valine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16414 ! L-valine [Term] id: CHEBI:84143 name: D-phenylalanine derivative namespace: chebi_ontology def: "A non-proteinogenic amino acid derivative resulting from reaction of D-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-phenylalanine by a heteroatom." [] subset: 3_STAR synonym: "D-phenylalanine derivatives" RELATED [ChEBI] is_a: CHEBI:25985 ! phenylalanine derivative is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:16998 ! D-phenylalanine [Term] id: CHEBI:84144 name: L-phenylalanine derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-phenylalanine by a heteroatom." [] subset: 3_STAR synonym: "L-phenylalanine derivatives" RELATED [ChEBI] is_a: CHEBI:25985 ! phenylalanine derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:17295 ! L-phenylalanine [Term] id: CHEBI:84186 name: L-proline derivative namespace: chebi_ontology def: "A proteinogenic amino acid derivative resulting from reaction of L-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of L-proline by a heteroatom." [] subset: 3_STAR synonym: "L-proline derivatives" RELATED [ChEBI] is_a: CHEBI:26273 ! proline derivative is_a: CHEBI:83811 ! proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:17203 ! L-proline [Term] id: CHEBI:84199 name: quinmerac namespace: chebi_ontology alt_id: CHEBI:82039 alt_id: CHEBI:84200 def: "A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet." [] subset: 3_STAR synonym: "7-Chloro-3-methyl-8-quinolinecarboxylic acid" RELATED [ChemIDplus] synonym: "7-chloro-3-methylquinoline-8-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "BAS 518" RELATED [ChemIDplus] xref: CAS:90717-03-6 {source="KEGG COMPOUND"} xref: CAS:90717-03-6 {source="ChemIDplus"} xref: KEGG:C18891 xref: Patent:EP0445420 xref: Patent:EP2272349 xref: Pesticides:quinmerac {source="Alan Wood's Pesticides"} xref: PMID:11080318 {source="Europe PMC"} xref: PMID:11520869 {source="Europe PMC"} xref: PMID:11871567 {source="Europe PMC"} xref: PMID:25551708 {source="Europe PMC"} xref: PPDB:578 xref: Reaxys:8392904 {source="Reaxys"} is_a: CHEBI:26512 ! quinolinemonocarboxylic acid is_a: CHEBI:36683 ! organochlorine compound relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:26841 ! synthetic auxin relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H8ClNO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ALZOLUNSQWINIR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "221.64000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "221.02436" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cnc2c(C(O)=O)c(Cl)ccc2c1" xsd:string [Term] id: CHEBI:84254 name: N,N-dimethylacetamide namespace: chebi_ontology def: "A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism." [] subset: 3_STAR synonym: "dimethylacetamide" RELATED [ChEBI] synonym: "N,N-dimethylacetamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:127-19-5 {source="ChemIDplus"} xref: KEGG:C20339 xref: PMID:25518943 {source="Europe PMC"} xref: Reaxys:1737614 {source="Reaxys"} xref: Wikipedia:Dimethylacetamide is_a: CHEBI:22160 ! acetamides is_a: CHEBI:29347 ! monocarboxylic acid amide relationship: has_functional_parent CHEBI:27856 ! acetamide relationship: has_role CHEBI:77746 ! human metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FXHOOIRPVKKKFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.12040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.06841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(C)=O" xsd:string [Term] id: CHEBI:84264 name: EC 3.5.1.19 (nicotinamidase) inhibitor namespace: chebi_ontology def: "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of nicotinamidase (EC 3.5.1.19)." [] subset: 3_STAR synonym: "EC 3.5.1.19 (nicotinamidase) inhibitors" RELATED [ChEBI] synonym: "EC 3.5.1.19 inhibitor" RELATED [ChEBI] synonym: "EC 3.5.1.19 inhibitors" RELATED [ChEBI] synonym: "nicotinamidase (EC 3.5.1.19) inhibitor" RELATED [ChEBI] synonym: "nicotinamidase (EC 3.5.1.19) inhibitors" RELATED [ChEBI] synonym: "nicotinamidase inhibitor" RELATED [ChEBI] synonym: "nicotinamidase inhibitors" RELATED [ChEBI] synonym: "nicotinamide amidase inhibitor" RELATED [ChEBI] synonym: "nicotinamide amidase inhibitors" RELATED [ChEBI] synonym: "nicotinamide amidohydrolase inhibitor" RELATED [ChEBI] synonym: "nicotinamide amidohydrolase inhibitors" RELATED [ChEBI] synonym: "nicotinamide deaminase inhibitor" RELATED [ChEBI] synonym: "nicotinamide deaminase inhibitors" RELATED [ChEBI] synonym: "YNDase inhibitor" RELATED [ChEBI] synonym: "YNDase inhibitors" RELATED [ChEBI] xref: Wikipedia:Nicotinamidase is_a: CHEBI:76807 ! EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor [Term] id: CHEBI:8427 name: probucol namespace: chebi_ontology def: "A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood." [] subset: 3_STAR synonym: "4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol)" RELATED [HMDB] synonym: "4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)" EXACT IUPAC_NAME [IUPAC] synonym: "Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole" RELATED [HMDB] synonym: "Biphenabid" RELATED [ChemIDplus] synonym: "Bisbid" RELATED [ChemIDplus] synonym: "Bisphenabid" RELATED [ChemIDplus] synonym: "DH-581" RELATED [ChEBI] synonym: "Lesterol" RELATED BRAND_NAME [ChemIDplus] synonym: "Lorelco" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Lurselle" RELATED BRAND_NAME [ChEBI] synonym: "probucol" RELATED INN [WHO_MedNet] synonym: "probucolum" RELATED INN [ChemIDplus] synonym: "Serterol" RELATED BRAND_NAME [ChEBI] synonym: "Superlipid" RELATED BRAND_NAME [ChEBI] xref: CAS:23288-49-5 {source="ChemIDplus"} xref: CAS:23288-49-5 {source="KEGG COMPOUND"} xref: Drug_Central:2269 {source="DrugCentral"} xref: DrugBank:DB01599 xref: HMDB:HMDB0015537 xref: KEGG:C07373 xref: KEGG:D00476 xref: LINCS:LSM-3617 xref: Patent:CN101423484 xref: Patent:CN101455842 xref: Patent:CN102973535 xref: Patent:FR1561853 xref: Patent:US3576883 xref: Patent:US3862332 xref: PMID:22305809 {source="Europe PMC"} xref: PMID:23107872 {source="Europe PMC"} xref: PMID:23167559 {source="Europe PMC"} xref: PMID:23334712 {source="Europe PMC"} xref: PMID:23363981 {source="Europe PMC"} xref: PMID:23378294 {source="Europe PMC"} xref: PMID:23443157 {source="Europe PMC"} xref: PMID:23741215 {source="Europe PMC"} xref: Reaxys:2026253 {source="Reaxys"} xref: Wikipedia:Probucol is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:59800 ! dithioketal relationship: has_role CHEBI:22586 ! antioxidant relationship: has_role CHEBI:35472 ! anti-inflammatory drug relationship: has_role CHEBI:35554 ! cardiovascular drug relationship: has_role CHEBI:35821 ! anticholesteremic drug property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C31H48O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYPMFJGVHOHGLL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "516.84200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "516.30957" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C" xsd:string [Term] id: CHEBI:84276 name: methyl phenyl(piperidin-2-yl)acetate namespace: chebi_ontology def: "A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group." [] subset: 3_STAR synonym: "alpha-phenyl-2-piperidineacetic acid methyl ester" RELATED [NIST_Chemistry_WebBook] synonym: "methyl alpha-phenyl-alpha-(2-piperidyl)acetate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl alpha-phenyl-alpha-2-piperidinylacetate" RELATED [NIST_Chemistry_WebBook] synonym: "methyl phenidylacetate" RELATED [ChemIDplus] synonym: "methyl phenyl(piperidin-2-yl)acetate" EXACT IUPAC_NAME [IUPAC] synonym: "methylphenidan" RELATED [ChemIDplus] is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:26151 ! piperidines is_a: CHEBI:85139 ! beta-amino acid ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H19NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUGOZIWVEXMGBE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "233.30620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.14158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)C(C1CCCCN1)c1ccccc1" xsd:string [Term] id: CHEBI:84291 name: organic sulfur anion namespace: chebi_ontology def: "An organic anion in which the charge resides on a sulfur atom." [] subset: 3_STAR synonym: "organic sulfur anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:26835 ! sulfur molecular entity [Term] id: CHEBI:84292 name: dithiocarbamate anions namespace: chebi_ontology def: "Any organic sulfur anion resulting from the removal of a proton from any N-substituted dithiocarbamic acid." [] subset: 3_STAR is_a: CHEBI:84291 ! organic sulfur anion relationship: is_conjugate_base_of CHEBI:78787 ! dithiocarbamic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNS2R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.14800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.94722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S-]C(=S)N([*])[*]" xsd:string [Term] id: CHEBI:84293 name: dimethyldithiocarbamate namespace: chebi_ontology def: "A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3." [] subset: 3_STAR synonym: "dimethyldithiocarbamic acid anion" RELATED [ChEBI] synonym: "dimethyldithiocarbamic acid(1-)" RELATED [ChEBI] is_a: CHEBI:84292 ! dithiocarbamate anions relationship: is_conjugate_base_of CHEBI:83061 ! dimethyldithiocarbamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NS2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MZGNSEAPZQGJRB-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.21700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.99472" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C([S-])=S" xsd:string [Term] id: CHEBI:8434 name: prochloraz namespace: chebi_ontology def: "A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables." [] subset: 3_STAR synonym: "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:67747-09-5 {source="KEGG COMPOUND"} xref: CAS:67747-09-5 {source="ChemIDplus"} xref: KEGG:C11182 xref: Pesticides:prochloraz {source="Alan Wood's Pesticides"} xref: PMID:24401010 {source="Europe PMC"} xref: PMID:24964350 {source="Europe PMC"} xref: PMID:25163568 {source="Europe PMC"} xref: PPDB:536 xref: Reaxys:8155344 {source="Reaxys"} is_a: CHEBI:27096 ! trichlorobenzene is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:47857 ! ureas is_a: CHEBI:60600 ! amide fungicide is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87068 ! imidazole fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H16Cl3N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVLSRXXIMLFWEO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "376.66500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "375.03081" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1" xsd:string [Term] id: CHEBI:84561 name: 2,4-dinitrophenol(1-) namespace: chebi_ontology def: "A phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] subset: 3_STAR synonym: "2,4-dinitrophenol" RELATED [UniProt] synonym: "2,4-Dinitrophenol ion(1-)" RELATED [ChemIDplus] synonym: "2,4-dinitrophenolate" EXACT IUPAC_NAME [IUPAC] xref: CAS:20350-26-9 {source="ChemIDplus"} xref: MetaCyc:CPD-8179 {source="SUBMITTER"} xref: PMID:25281383 {source="Europe PMC"} xref: Reaxys:3552508 {source="Reaxys"} is_a: CHEBI:50525 ! phenolate anion relationship: has_role CHEBI:76976 ! bacterial xenobiotic metabolite relationship: is_conjugate_base_of CHEBI:42017 ! 2,4-dinitrophenol property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H3N2O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFBJCMHMOXMLKC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "183.09900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "183.00474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:84698 name: bromochlorodifluoromethane namespace: chebi_ontology def: "A one-carbon compound that is methane in which the hydrogens have been replaced by two fluorines, a bromine, and a chlorine. Widely used in 'vapourising liquid'-type fire extinguishers, its use is now generally banned under the Montreal Protocol (ozone-depleting substances), although it is still used in certain applications (e.g. aviation)." [] subset: 3_STAR synonym: "bromo(chloro)difluoromethane" EXACT IUPAC_NAME [IUPAC] synonym: "chlorodifluobromometano" RELATED [ChemIDplus] synonym: "chlorodifluoromonobromomethane" RELATED [NIST_Chemistry_WebBook] synonym: "Daiflon 12B1" RELATED [ChemIDplus] synonym: "difluorobromochloromethane" RELATED [ChEBI] synonym: "difluorochlorobromomethane" RELATED [ChEBI] synonym: "Flugex 12B1" RELATED [ChemIDplus] synonym: "fluorocarbon 1211" RELATED [NIST_Chemistry_WebBook] synonym: "Freon 12B1" RELATED [NIST_Chemistry_WebBook] synonym: "Halon 1211" RELATED [NIST_Chemistry_WebBook] synonym: "Halon-1211" RELATED [ChemIDplus] synonym: "monobromomonochlorodifluoromethane" RELATED [ChEBI] synonym: "refrigerant gas R 12B1" RELATED [ChemIDplus] xref: CAS:353-59-3 {source="ChemIDplus"} xref: PMID:1536156 {source="Europe PMC"} xref: PMID:1675103 {source="Europe PMC"} xref: PMID:3203080 {source="Europe PMC"} xref: PMID:3959825 {source="Europe PMC"} xref: PMID:4068954 {source="Europe PMC"} xref: PMID:4631365 {source="Europe PMC"} xref: Reaxys:1732514 {source="Reaxys"} xref: Wikipedia:Bromochlorodifluoromethane is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37141 ! organobromine compound is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:64708 ! one-carbon compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CBrClF2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CBrClF2/c2-1(3,4)5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEXUFEQDCXZEON-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.36500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.88400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(Cl)Br" xsd:string [Term] id: CHEBI:84729 name: hydroxyindoles namespace: chebi_ontology def: "Any member of the class of indoles carrying at least one hydroxy group." [] subset: 3_STAR is_a: CHEBI:24828 ! indoles is_a: CHEBI:33822 ! organic hydroxy compound [Term] id: CHEBI:8473 name: propane-1-thiol namespace: chebi_ontology def: "An alkanethiol that is propane substituted by a thiol group at position 1." [] subset: 3_STAR synonym: "1-Mercaptopropane" RELATED [ChemIDplus] synonym: "1-Propyl mercaptan" RELATED [ChemIDplus] synonym: "1-Propylmercaptan" RELATED [ChemIDplus] synonym: "n-Propyl mercaptan" RELATED [ChemIDplus] synonym: "n-Propylmercaptan" RELATED [ChemIDplus] synonym: "n-Propylthiol" RELATED [ChemIDplus] synonym: "n-Thiopropyl alcohol" RELATED [ChemIDplus] synonym: "Propane-1-thiol" EXACT [KEGG_COMPOUND] synonym: "propane-1-thiol" EXACT IUPAC_NAME [IUPAC] synonym: "Propanethiol" RELATED [KEGG_COMPOUND] synonym: "Propyl mercaptan" RELATED [KEGG_COMPOUND] synonym: "Propylthiol" RELATED [ChemIDplus] synonym: "Thiopropyl alcohol" RELATED [ChemIDplus] xref: Beilstein:1696860 {source="Beilstein"} xref: CAS:107-03-9 {source="ChemIDplus"} xref: CAS:107-03-9 {source="KEGG COMPOUND"} xref: CAS:107-03-9 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0034238 xref: KEGG:C08390 xref: KNApSAcK:C00001267 xref: PDBeChem:XL3 xref: PMID:16748484 {source="Europe PMC"} xref: Reaxys:1696860 {source="Reaxys"} xref: Wikipedia:Propanethiol is_a: CHEBI:47908 ! alkanethiol relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SUVIGLJNEAMWEG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "76.16162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.03467" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCS" xsd:string [Term] id: CHEBI:84735 name: algal metabolite namespace: chebi_ontology def: "Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae." [] subset: 3_STAR synonym: "algal metabolites" RELATED [ChEBI] is_a: CHEBI:75763 ! eukaryotic metabolite [Term] id: CHEBI:84745 name: amiloride(1+) namespace: chebi_ontology def: "An organic cation obtained by protonation of amiloride." [] subset: 3_STAR synonym: "amiloride cation" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:2639 ! amiloride property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9ClN7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSDQTOBWRPYKKA-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "230.63400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.05516" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H+].NC(=N)NC(=O)c1nc(Cl)c(N)nc1N" xsd:string [Term] id: CHEBI:84771 name: nitroguanidine derivative namespace: chebi_ontology def: "Any N-nitro compound obtained by formal replacement of one or more of the hydrogens of a nitroguanidine by an organyl group." [] subset: 3_STAR synonym: "nitroguanidine derivatives" RELATED [ChEBI] is_a: CHEBI:24436 ! guanidines is_a: CHEBI:38780 ! N-nitro compound [Term] id: CHEBI:84773 name: 2-nitroguanidine derivative namespace: chebi_ontology def: "Any nitroguanidine derivative resulting from the replacement of one or more hydrogens of 2-nitroguanidine by an organyl group." [] subset: 3_STAR synonym: "2-nitroguanidine derivatives" RELATED [ChEBI] is_a: CHEBI:84771 ! nitroguanidine derivative relationship: has_functional_parent CHEBI:39181 ! 2-nitroguanidine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CN4O2R4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.036" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00213" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)\\N=C(/N([*])[*])N([*])[*]" xsd:string [Term] id: CHEBI:8489 name: propiconazole namespace: chebi_ontology alt_id: CHEBI:658576 def: "The cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds." [] subset: 3_STAR synonym: "(+-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole" RELATED [ChEBI] synonym: "1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole" EXACT IUPAC_NAME [IUPAC] synonym: "Propiconazole" EXACT [KEGG_COMPOUND] xref: CAS:60207-90-1 {source="KEGG COMPOUND"} xref: CAS:60207-90-1 {source="ChemIDplus"} xref: CAS:75881-82-2 {source="NIST Chemistry WebBook"} xref: KEGG:C11121 xref: MetaCyc:CPD-14540 xref: Patent:DE2551560 xref: Patent:US4079062 xref: Pesticides:propiconazole {source="Alan Wood's Pesticides"} xref: PMID:19128860 {source="ChEMBL"} xref: PPDB:551 xref: Reaxys:841361 {source="Reaxys"} xref: Wikipedia:Propiconazole is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:59779 ! cyclic ketal is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17Cl2N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "STJLVHWMYQXCPB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.22000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "341.06978" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl" xsd:string [Term] id: CHEBI:84973 name: oleoyl-sn-glycero-3-phosphate(2-) namespace: chebi_ontology def: "A lysophosphatidate 18:1 in which the acyl group is specified as oleoyl (attached at either sn-1 or sn-2 position)." [] subset: 3_STAR synonym: "(9Z)-octadecenoyl-sn-glycero-3-phosphate" RELATED [UniProt] is_a: CHEBI:78279 ! lysophosphatidate 18:1 property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H39O7P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.5039" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "434.24334" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(P(=O)([O-])[O-])C[C@H](O*)CO*" xsd:string [Term] id: CHEBI:8499 name: propranolol namespace: chebi_ontology def: "A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3." [] subset: 3_STAR synonym: "1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol" RELATED [ChemIDplus] synonym: "1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol" RELATED [IUPAC] synonym: "3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Propranolol" RELATED [NIST_Chemistry_WebBook] synonym: "Propanalol" RELATED [NIST_Chemistry_WebBook] synonym: "Propanolol" RELATED [NIST_Chemistry_WebBook] synonym: "Propranolol" EXACT [KEGG_COMPOUND] synonym: "propranolol" RELATED INN [WHO_MedNet] synonym: "propranolol" RELATED INN [ChemIDplus] synonym: "propranololo" RELATED [WHO_MedNet] synonym: "propranololum" RELATED INN [WHO_MedNet] xref: Beilstein:987417 {source="Beilstein"} xref: CAS:525-66-6 {source="ChemIDplus"} xref: CAS:525-66-6 {source="NIST Chemistry WebBook"} xref: CAS:525-66-6 {source="KEGG COMPOUND"} xref: Drug_Central:2303 {source="DrugCentral"} xref: DrugBank:DB00571 xref: HMDB:HMDB0001849 xref: KEGG:C07407 xref: KEGG:D08443 xref: LINCS:LSM-4329 xref: PMID:18259090 {source="Europe PMC"} xref: PMID:24495884 {source="Europe PMC"} xref: PMID:24504055 {source="Europe PMC"} xref: Reaxys:987417 {source="Reaxys"} xref: Wikipedia:Propranolol is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:32863 ! secondary amine is_a: CHEBI:35533 ! propanolamine relationship: has_functional_parent CHEBI:10319 ! 1-naphthol relationship: has_role CHEBI:35474 ! anxiolytic drug relationship: has_role CHEBI:35530 ! beta-adrenergic antagonist relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:85234 ! human blood serum metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H21NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQHHHDLHHXJYJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "259.34348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.15723" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NCC(O)COc1cccc2ccccc12" xsd:string [Term] id: CHEBI:8504 name: prostanoic acid namespace: chebi_ontology def: "A carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7." [] subset: 3_STAR synonym: "7-[(1S,2S)-2-octylcyclopentyl]heptanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "prostan-1-oic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Prostanoic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:5744307 {source="Beilstein"} xref: KEGG:C02064 xref: LIPID_MAPS_instance:LMFA03010000 {source="LIPID MAPS"} xref: PMID:6234649 {source="Europe PMC"} xref: Reaxys:5744307 {source="Reaxys"} is_a: CHEBI:15904 ! long-chain fatty acid is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:35744 ! carbocyclic fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H38O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WGJJROVFWIXTPA-OALUTQOASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.51452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.28718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC(O)=O" xsd:string [Term] id: CHEBI:85046 name: skin lightening agent namespace: chebi_ontology def: "Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin." [] subset: 3_STAR synonym: "melanogenesis inhibitor" RELATED [ChEBI] synonym: "melanogenesis inhibitors" RELATED [ChEBI] synonym: "skin bleaching agent" RELATED [ChEBI] synonym: "skin bleaching agents" RELATED [ChEBI] synonym: "skin depigmenting agent" RELATED [ChEBI] synonym: "skin depigmenting agents" RELATED [ChEBI] synonym: "skin lightening agents" RELATED [ChEBI] synonym: "skin whitening agent" RELATED [ChEBI] synonym: "skin whitening agents" RELATED [ChEBI] xref: PMID:21265866 {source="Europe PMC"} xref: PMID:22132817 {source="Europe PMC"} xref: PMID:22314516 {source="Europe PMC"} xref: PMID:23891889 {source="Europe PMC"} xref: PMID:23974587 {source="Europe PMC"} xref: PMID:25535470 {source="Europe PMC"} xref: PMID:25574195 {source="Europe PMC"} xref: PMID:25643794 {source="Europe PMC"} xref: Wikipedia:Skin_whitening is_a: CHEBI:64857 ! cosmetic [Term] id: CHEBI:85048 name: EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor namespace: chebi_ontology def: "An EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.10.3.*)." [] subset: 3_STAR synonym: "EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.3.* inhibitor" RELATED [ChEBI] synonym: "EC 1.10.3.* inhibitors" RELATED [ChEBI] is_a: CHEBI:76737 ! EC 1.10.* (oxidoreductase acting on diphenols and related substances as donors) inhibitor [Term] id: CHEBI:85049 name: EC 1.10.3.1 (catechol oxidase) inhibitor namespace: chebi_ontology def: "Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of catechol oxidase (EC 1.10.3.1)." [] subset: 3_STAR synonym: "1,2-benzenediol:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "1,2-benzenediol:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "catechol oxidase (EC 1.10.3.1) inhibitor" RELATED [ChEBI] synonym: "catechol oxidase (EC 1.10.3.1) inhibitors" RELATED [ChEBI] synonym: "catechol oxidase inhibitor" RELATED [ChEBI] synonym: "catechol oxidase inhibitors" RELATED [ChEBI] synonym: "catecholase inhibitor" RELATED [ChEBI] synonym: "catecholase inhibitors" RELATED [ChEBI] synonym: "diphenol oxidase inhibitor" RELATED [ChEBI] synonym: "diphenol oxidase inhibitors" RELATED [ChEBI] synonym: "Dopa oxidase inhibitor" RELATED [ChEBI] synonym: "Dopa oxidase inhibitors" RELATED [ChEBI] synonym: "EC 1.10.3.1 (catechol oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.3.1 inhibitor" RELATED [ChEBI] synonym: "EC 1.10.3.1 inhibitors" RELATED [ChEBI] synonym: "o-diphenol oxidoreductase inhibitor" RELATED [ChEBI] synonym: "o-diphenol oxidoreductase inhibitors" RELATED [ChEBI] synonym: "o-diphenol:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "o-diphenol:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "o-diphenolase inhibitor" RELATED [ChEBI] synonym: "o-diphenolase inhibitors" RELATED [ChEBI] synonym: "phenolase inhibitor" RELATED [ChEBI] synonym: "phenolase inhibitors" RELATED [ChEBI] synonym: "polyphenol oxidase inhibitor" RELATED [ChEBI] synonym: "polyphenol oxidase inhibitors" RELATED [ChEBI] synonym: "pyrocatechol oxidase inhibitor" RELATED [ChEBI] synonym: "pyrocatechol oxidase inhibitors" RELATED [ChEBI] synonym: "tyrosinase inhibitor" RELATED [ChEBI] synonym: "tyrosinase inhibitors" RELATED [ChEBI] xref: Wikipedia:Catechol_oxidase is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor [Term] id: CHEBI:85050 name: EC 1.10.3.2 (laccase) inhibitor namespace: chebi_ontology def: "Any EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor that interferes with the action of laccase (EC 1.10.3.2)." [] subset: 3_STAR synonym: "benzenediol:oxygen oxidoreductase inhibitor" RELATED [ChEBI] synonym: "benzenediol:oxygen oxidoreductase inhibitors" RELATED [ChEBI] synonym: "EC 1.10.3.2 (laccase) inhibitors" RELATED [ChEBI] synonym: "EC 1.10.3.2 inhibitor" RELATED [ChEBI] synonym: "EC 1.10.3.2 inhibitors" RELATED [ChEBI] synonym: "laccase (EC 1.10.3.2) inhibitor" RELATED [ChEBI] synonym: "laccase (EC 1.10.3.2) inhibitors" RELATED [ChEBI] synonym: "laccase inhibitor" RELATED [ChEBI] synonym: "laccase inhibitors" RELATED [ChEBI] synonym: "p-diphenol oxidase inhibitor" RELATED [ChEBI] synonym: "p-diphenol oxidase inhibitors" RELATED [ChEBI] synonym: "urishiol oxidase inhibitor" RELATED [ChEBI] synonym: "urishiol oxidase inhibitors" RELATED [ChEBI] synonym: "urushiol oxidase inhibitor" RELATED [ChEBI] synonym: "urushiol oxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:Laccase is_a: CHEBI:85048 ! EC 1.10.3.* (oxidoreductase acting on diphenols and related substances as donors with oxygen as acceptor) inhibitor [Term] id: CHEBI:85051 name: EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor namespace: chebi_ontology def: "Any EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor that interferes with the action of quercetin 2,3-dioxygenase (EC 1.13.1.24)." [] subset: 3_STAR synonym: "EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitors" RELATED [ChEBI] synonym: "EC 1.13.11.24 inhibitor" RELATED [ChEBI] synonym: "EC 1.13.11.24 inhibitors" RELATED [ChEBI] synonym: "flavonol 2,4-oxygenase inhibitor" RELATED [ChEBI] synonym: "flavonol 2,4-oxygenase inhibitors" RELATED [ChEBI] synonym: "quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitor" RELATED [ChEBI] synonym: "quercetin 2,3-dioxygenase (EC 1.13.11.24) inhibitors" RELATED [ChEBI] synonym: "quercetin 2,3-dioxygenase inhibitor" RELATED [ChEBI] synonym: "quercetin 2,3-dioxygenase inhibitors" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitor" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (decyclising) inhibitors" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitor" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (decyclizing) inhibitors" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitor" RELATED [ChEBI] synonym: "quercetin:oxygen 2,3-oxidoreductase (ring-opening) inhibitors" RELATED [ChEBI] synonym: "quercetinase inhibitor" RELATED [ChEBI] synonym: "quercetinase inhibitors" RELATED [ChEBI] xref: Wikipedia:Quercetin_2\,3-dioxygenase is_a: CHEBI:76837 ! EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 O atoms) inhibitor [Term] id: CHEBI:85052 name: EC 1.4.3.3 (D-amino-acid oxidase) inhibitor namespace: chebi_ontology def: "Any EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of D-amino-acid oxidase (EC 1.4.3.3)." [] subset: 3_STAR synonym: "D-amino-acid oxidase (EC 1.4.3.3) inhibitor" RELATED [ChEBI] synonym: "D-amino-acid oxidase (EC 1.4.3.3) inhibitors" RELATED [ChEBI] synonym: "D-amino-acid oxidase inhibitor" RELATED [ChEBI] synonym: "D-amino-acid oxidase inhibitors" RELATED [ChEBI] synonym: "D-amino-acid:oxygen oxidoreductase (deaminating) inhibitor" RELATED [ChEBI] synonym: "D-amino-acid:oxygen oxidoreductase (deaminating) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.3 (D-amino-acid oxidase) inhibitors" RELATED [ChEBI] synonym: "EC 1.4.3.3 inhibitor" RELATED [ChEBI] synonym: "EC 1.4.3.3 inhibitors" RELATED [ChEBI] synonym: "L-amino acid:O2 oxidoreductase inhibitor" RELATED [ChEBI] synonym: "L-amino acid:O2 oxidoreductase inhibitors" RELATED [ChEBI] synonym: "new yellow enzyme inhibitor" RELATED [ChEBI] synonym: "new yellow enzyme inhibitors" RELATED [ChEBI] synonym: "ophio-amino-acid oxidase inhibitor" RELATED [ChEBI] synonym: "ophio-amino-acid oxidase inhibitors" RELATED [ChEBI] xref: Wikipedia:D-amino_acid_oxidase is_a: CHEBI:76861 ! EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor [Term] id: CHEBI:85122 name: paraben namespace: chebi_ontology def: "A 4-hydroxybenzoate ester in which the esterifying alcohol is an alkanol (in diagram, R = alkyl). Commonly used as preservatives in cosmetic and pharmaceutical products." [] subset: 3_STAR synonym: "parabens" RELATED [ChEBI] xref: PMID:15833376 {source="Europe PMC"} xref: PMID:25192815 {source="Europe PMC"} xref: PMID:25463195 {source="Europe PMC"} xref: PMID:25560451 {source="Europe PMC"} xref: PMID:25588598 {source="Europe PMC"} xref: PMID:25597796 {source="Europe PMC"} xref: PMID:25644523 {source="Europe PMC"} xref: PMID:25677831 {source="Europe PMC"} xref: Wikipedia:Paraben is_a: CHEBI:79323 ! 4-hydroxybenzoate ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5O3R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.11280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.02387" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C(=O)O[*]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:85139 name: beta-amino acid ester namespace: chebi_ontology def: "An amino acid ester resulting from the formal condensation of the carboxy group of a beta-amino acid with the hydroxy group of an alcohol or phenol." [] subset: 3_STAR synonym: "beta-amino acid esters" RELATED [ChEBI] is_a: CHEBI:46668 ! amino acid ester is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: has_functional_parent CHEBI:33706 ! beta-amino acid [Term] id: CHEBI:85234 name: human blood serum metabolite namespace: chebi_ontology def: "Any metabolite (endogenous or exogenous) found in human blood serum samples." [] subset: 3_STAR synonym: "human blood serum metabolites" RELATED [ChEBI] is_a: CHEBI:77746 ! human metabolite [Term] id: CHEBI:85259 name: diethylamine namespace: chebi_ontology def: "A secondary aliphatic amine where both N-substituents are ethyl." [] subset: 3_STAR synonym: "(C2H5)2NH" RELATED [NIST_Chemistry_WebBook] synonym: "DEA" RELATED [NIST_Chemistry_WebBook] synonym: "Diaethylamin" RELATED [NIST_Chemistry_WebBook] synonym: "Et2NH" RELATED [ChEBI] synonym: "N,N-Diethylamine" RELATED [HMDB] synonym: "N-ethylethanamine" EXACT IUPAC_NAME [IUPAC] xref: CAS:109-89-7 {source="NIST Chemistry WebBook"} xref: CAS:109-89-7 {source="ChemIDplus"} xref: HMDB:HMDB0041878 xref: MetaCyc:DIETHYLAMINE xref: Reaxys:605268 {source="Reaxys"} xref: Wikipedia:Diethylamine is_a: CHEBI:50981 ! secondary aliphatic amine relationship: is_conjugate_base_of CHEBI:132181 ! diethylammonium property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H11N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HPNMFZURTQLUMO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "73.13680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.08915" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCNCC" xsd:string [Term] id: CHEBI:85267 name: flumequine namespace: chebi_ontology def: "A racemate comprising equimolar amounts of R- and S-flumequine. A broad-spectrum antibiotic, formerly used in veterinary medicine for stock breeding and treatment of aquacultures." [] subset: 3_STAR synonym: "9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizine-2-carboxylic acid" RELATED [ChemIDplus] synonym: "flumequine" RELATED INN [KEGG_DRUG] synonym: "flumequino" RELATED INN [ChemIDplus] synonym: "flumequinum" RELATED INN [ChemIDplus] synonym: "rac-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:42835-25-6 {source="ChemIDplus"} xref: CAS:42835-25-6 {source="KEGG DRUG"} xref: KEGG:D02302 xref: PMID:23773949 {source="Europe PMC"} xref: PMID:24261869 {source="Europe PMC"} xref: PMID:24836135 {source="Europe PMC"} xref: PMID:25045079 {source="Europe PMC"} xref: PMID:25476307 {source="Europe PMC"} xref: PMID:25633214 {source="Europe PMC"} xref: Reaxys:490724 {source="Reaxys"} xref: VSDB:1564 xref: Wikipedia:Flumequine is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:85272 ! (S)-flumequine relationship: has_part CHEBI:85273 ! (R)-flumequine relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50750 ! EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: has_role CHEBI:53559 ! topoisomerase IV inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: CHEBI:85269 name: 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid namespace: chebi_ontology alt_id: CHEBI:94431 def: "A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively." [] subset: 3_STAR synonym: "9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:38921 ! pyridoquinoline is_a: CHEBI:47881 ! 3-oxo monocarboxylic acid is_a: CHEBI:86324 ! quinolone antibiotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12FNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPSPPJIUMHPXMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.24840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.08012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O" xsd:string [Term] id: CHEBI:85272 name: (S)-flumequine namespace: chebi_ontology def: "A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (S)-enantiomer of flumequine." [] subset: 3_STAR synonym: "(5S)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:8273774 {source="Reaxys"} is_a: CHEBI:85269 ! 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid relationship: is_enantiomer_of CHEBI:85273 ! (R)-flumequine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12FNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPSPPJIUMHPXMA-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.24840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.08012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O" xsd:string [Term] id: CHEBI:85273 name: (R)-flumequine namespace: chebi_ontology def: "A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (R)-enantiomer of flumequine." [] subset: 3_STAR synonym: "(5R)-9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:8273773 {source="Reaxys"} is_a: CHEBI:85269 ! 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid relationship: is_enantiomer_of CHEBI:85272 ! (S)-flumequine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12FNO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPSPPJIUMHPXMA-SSDOTTSWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "261.24840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.08012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O" xsd:string [Term] id: CHEBI:85425 name: glycine transporter inhibitor namespace: chebi_ontology def: "Any substance that inhibits the action of glycine transporters." [] subset: 3_STAR synonym: "glycine transporter inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:85541 name: elemental bismuth namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:33259 ! elemental molecular entity is_a: CHEBI:37196 ! bismuth molecular entity [Term] id: CHEBI:85543 name: bismuth ion namespace: chebi_ontology def: "A bismuth atom having a net electric charge." [] subset: 3_STAR is_a: CHEBI:36914 ! inorganic ion is_a: CHEBI:85541 ! elemental bismuth [Term] id: CHEBI:85638 name: haloacetate(1-) namespace: chebi_ontology def: "A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a haloacetic acid." [] subset: 3_STAR synonym: "a haloacetate" RELATED [UniProt] synonym: "haloacetate (1-)" RELATED [ChEBI] xref: MetaCyc:Haloacetates is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: has_functional_parent CHEBI:30089 ! acetate relationship: is_conjugate_base_of CHEBI:16277 ! haloacetic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O2X" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.03660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.00548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)C*" xsd:string [Term] id: CHEBI:85782 name: heptachlorobiphenyl namespace: chebi_ontology def: "Any polychlorobiphenyl with molecular formula C12H3Cl7." [] subset: 3_STAR synonym: "heptachloro-1,1'-biphenyl" EXACT IUPAC_NAME [IUPAC] synonym: "heptachlorobiphenyls" RELATED [ChEBI] is_a: CHEBI:53156 ! polychlorobiphenyl property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H3Cl7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "395.32300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "391.80544" xsd:string [Term] id: CHEBI:86264 name: rat metabolite namespace: chebi_ontology def: "Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus)." [] subset: 3_STAR synonym: "rat metabolites" RELATED [ChEBI] synonym: "Rattus norvegicus metabolite" RELATED [ChEBI] synonym: "Rattus norvegicus metabolites" RELATED [ChEBI] is_a: CHEBI:75768 ! mammalian metabolite [Term] id: CHEBI:86297 name: picrate anion namespace: chebi_ontology def: "A phenolate anion resulting from deprotonation of the phenolic hydroxy group of picric acid." [] subset: 3_STAR synonym: "2,4,6-trinitrophenolate" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,6-trinitrophenolate ion" RELATED [ChEBI] synonym: "2,4,6-trinitrophenoxide" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,6-trinitrophenoxide ion" RELATED [ChEBI] synonym: "picrate" RELATED [ChEBI] synonym: "picrate ion" RELATED [ChEBI] xref: MetaCyc:CPD-17566 xref: Reaxys:3595189 {source="Reaxys"} is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:46149 ! picric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H2N3O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OXNIZHLAWKMVMX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.09650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.98982" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:86315 name: methyl sulfide namespace: chebi_ontology alt_id: CHEBI:25260 def: "Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group." [] subset: 3_STAR synonym: "a methyl thioether" RELATED [UniProt] synonym: "methyl sulfides" RELATED [ChEBI] synonym: "methyl thioether" RELATED [ChEBI] synonym: "methyl thioethers" RELATED [ChEBI] xref: MetaCyc:Methyl-thioethers {source="SUBMITTER"} is_a: CHEBI:16385 ! organic sulfide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3SR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.101" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.99555" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS[*]" xsd:string [Term] id: CHEBI:86323 name: conazole antifungal agent namespace: chebi_ontology alt_id: CHEBI:60593 def: "A compound that has a structure that is related to miconazole, contains an azole (imidazole or triazole) moiety, and has significant systemic antifungal properties. They inhibit cytochrome P450-dependent enzymes (particularly C14-demethylase) involved in the biosynthesis of ergosterol, which is required for fungal cell membrane structure and function." [] subset: 3_STAR synonym: "azole antibiotic" RELATED [ChEBI] synonym: "azole antibiotics" RELATED [ChEBI] synonym: "conazole antifungal agents" RELATED [ChEBI] is_a: CHEBI:68452 ! azole relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:75282 ! ergosterol biosynthesis inhibitor [Term] id: CHEBI:86324 name: quinolone antibiotic namespace: chebi_ontology def: "An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton." [] subset: 3_STAR synonym: "quinolone antibiotics" RELATED [ChEBI] is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic [Term] id: CHEBI:86327 name: antifungal drug namespace: chebi_ontology def: "Any antifungal agent used to prevent or treat fungal infections in humans or animals." [] subset: 3_STAR synonym: "anti-fungal drug" RELATED [ChEBI] synonym: "anti-fungal drugs" RELATED [ChEBI] synonym: "anti-fungal medication" RELATED [ChEBI] synonym: "anti-fungal medications" RELATED [ChEBI] synonym: "antifungal drugs" RELATED [ChEBI] synonym: "antifungal medication" RELATED [ChEBI] synonym: "antifungal medications" RELATED [ChEBI] synonym: "pharmaceutical fungicide" RELATED [ChEBI] synonym: "pharmaceutical fungicides" RELATED [ChEBI] xref: Wikipedia:Antifungal is_a: CHEBI:35441 ! antiinfective agent is_a: CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86328 name: antifungal agrochemical namespace: chebi_ontology def: "Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties." [] subset: 3_STAR synonym: "agrichemical fungicide" RELATED [ChEBI] synonym: "agrichemical fungicides" RELATED [ChEBI] synonym: "agrochemical fungicide" RELATED [ChEBI] synonym: "agrochemical fungicides" RELATED [ChEBI] synonym: "anti-fungal agrichemical" RELATED [ChEBI] synonym: "anti-fungal agrichemicals" RELATED [ChEBI] synonym: "anti-fungal agrochemical" RELATED [ChEBI] synonym: "anti-fungal agrochemicals" RELATED [ChEBI] synonym: "antifungal agrichemical" RELATED [ChEBI] synonym: "antifungal agrichemicals" RELATED [ChEBI] synonym: "antifungal agrochemicals" RELATED [ChEBI] is_a: CHEBI:24127 ! fungicide is_a: CHEBI:33286 ! agrochemical [Term] id: CHEBI:86417 name: aliphatic nitrogen antifungal agent namespace: chebi_ontology def: "Organonitrogen compounds containing an aliphatic nitrogen that have significant antifungal properties." [] subset: 3_STAR synonym: "aliphatic nitrogen antifungal agents" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86420 name: imidazole antifungal agent namespace: chebi_ontology def: "A compound that has significant antifungal properties whose structure contains an imidazole moiety." [] subset: 3_STAR synonym: "imidazole antifungal agents" RELATED [ChEBI] is_a: CHEBI:24780 ! imidazoles relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86421 name: 2-nitrophenols namespace: chebi_ontology def: "A mononitrophenol that is 2-nitrophenol and its derivatives resulting from substitution of one or more of the hydrogens attached to the benzene ring by a non-nitro group." [] subset: 3_STAR is_a: CHEBI:39362 ! mononitrophenol [Term] id: CHEBI:86426 name: triazole antifungal agent namespace: chebi_ontology def: "A member of the class of triazole that has significant antifungal properties." [] subset: 3_STAR synonym: "triazole antifungal agents" RELATED [ChEBI] is_a: CHEBI:35727 ! triazoles relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86469 name: peptidoglycosaminoglycan namespace: chebi_ontology def: "A family of glycosaminoglycan formed by alternating residues of D-glucosamine and either muramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} or L-talosaminuronic acid (2-amino-2-deoxy-L-taluronic acid), which are usually N-acetylated or N-glycoloylated. Those containing muramic acid residues are known as peptidoglycans while those containing L-talosaminuronic acid residues are known as pseudopeptidoglycans. The carboxyl group of the muramic acid is commonly substituted by a peptide containing residues of both L- and D-amino acids, whereas that of L-talosaminuronic acid is substituted by a peptide consisting of L-amino acids only." [] subset: 3_STAR synonym: "peptidoglycosaminoglycans" RELATED [ChEBI] is_a: CHEBI:18085 ! glycosaminoglycan [Term] id: CHEBI:86478 name: antibiotic antifungal agent namespace: chebi_ontology def: "Heteroorganic entities that are microbial metabolites (or compounds derived from them) which have significant antifungal properties." [] subset: 3_STAR synonym: "antibiotic antifungal agents" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:86482 name: strobilurin antifungal agent namespace: chebi_ontology def: "Any antibiotic antifungal agents whose structure is based on the antifungal agents originally isolated from the fungus Strobilurus tenacellus." [] subset: 3_STAR synonym: "strobilurin antifungal agents" RELATED [ChEBI] xref: Wikipedia:Strobilurin is_a: CHEBI:86478 ! antibiotic antifungal agent [Term] id: CHEBI:86484 name: methoxyacrylate strobilurin antifungal agent namespace: chebi_ontology def: "Any strobilurin antifungal agent that contains a methoxyacrylate group." [] subset: 3_STAR synonym: "methoxyacrylate strobilurin antifungal agents" RELATED [ChEBI] is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:51702 ! enoate ester is_a: CHEBI:86482 ! strobilurin antifungal agent [Term] id: CHEBI:86485 name: methoxycarbanilate strobilurin antifungal agent namespace: chebi_ontology def: "Any strobilurin antifungal agent that contains a methoxycarbanilate group." [] subset: 3_STAR synonym: "methoxycarbanilate strobilurin antifungal agents" RELATED [ChEBI] is_a: CHEBI:23003 ! carbamate ester is_a: CHEBI:86482 ! strobilurin antifungal agent [Term] id: CHEBI:86488 name: methoxyiminoacetate strobilurin antifungal agent namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:86482 ! strobilurin antifungal agent [Term] id: CHEBI:8674 name: pyrimethanil namespace: chebi_ontology def: "A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6. A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine." [] subset: 3_STAR synonym: "2-Anilino-4,6-dimethylpyrimidine" RELATED [HMDB] synonym: "4,6-Dimethyl-N-phenyl-2-pyrimidinamine" RELATED [HMDB] synonym: "4,6-dimethyl-N-phenylpyrimidin-2-amine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(4,6-dimethylpyrimidin-2-yl)aniline" RELATED [Alan_Wood's_Pesticides] xref: CAS:53112-28-0 {source="KEGG COMPOUND"} xref: CAS:53112-28-0 {source="ChemIDplus"} xref: CAS:53112-28-0 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0033135 xref: KEGG:C11180 xref: Pesticides:pyrimethanil {source="Alan Wood's Pesticides"} xref: PMID:22949075 {source="Europe PMC"} xref: PMID:23246620 {source="Europe PMC"} xref: PMID:23258318 {source="Europe PMC"} xref: PMID:23410121 {source="Europe PMC"} xref: PMID:23436777 {source="Europe PMC"} xref: PMID:23673061 {source="Europe PMC"} xref: PMID:23993516 {source="Europe PMC"} xref: PMID:24081744 {source="Europe PMC"} xref: PMID:24365971 {source="Europe PMC"} xref: PMID:24380616 {source="Europe PMC"} xref: PMID:24652239 {source="Europe PMC"} xref: PMID:24835131 {source="Europe PMC"} xref: PMID:25145229 {source="Europe PMC"} xref: PMID:25216469 {source="Europe PMC"} xref: PPDB:573 xref: Reaxys:151589 {source="Reaxys"} xref: Wikipedia:Pyrimethanil is_a: CHEBI:38338 ! aminopyrimidine is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:87208 ! anilinopyrimidine fungicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:72768 ! aryl hydrocarbon receptor agonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13N3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLIBICFPKPWGIZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "199.25170" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "199.11095" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(C)nc(Nc2ccccc2)n1" xsd:string [Term] id: CHEBI:86990 name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine namespace: chebi_ontology def: "An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group." [] subset: 3_STAR synonym: "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-1449 xref: VSDB:1851 is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:50995 ! secondary amino compound is_a: CHEBI:83565 ! (trifluoromethyl)benzenes property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTHCYVBBDHJXIQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.32610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.13405" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1" xsd:string [Term] id: CHEBI:86991 name: (R)-fluoxetine namespace: chebi_ontology def: "An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]." [] subset: 3_STAR synonym: "(+)-fluoxetine" RELATED [ChEBI] synonym: "(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(+)-fluoxetine" RELATED [ChEBI] synonym: "(R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine" RELATED [ChemIDplus] synonym: "(R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine" RELATED [ChEBI] synonym: "(R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine" RELATED [ChEBI] synonym: "(R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine" RELATED [ChEBI] synonym: "(R)-Prozac" RELATED [ChEBI] xref: CAS:100568-03-4 {source="ChemIDplus"} xref: PMID:19144769 {source="Europe PMC"} xref: PMID:19788198 {source="Europe PMC"} xref: PMID:20663810 {source="Europe PMC"} xref: PMID:22903652 {source="Europe PMC"} xref: PMID:22923967 {source="Europe PMC"} xref: PMID:23885544 {source="Europe PMC"} xref: PMID:24464553 {source="Europe PMC"} xref: PMID:24997906 {source="Europe PMC"} xref: Reaxys:4356432 {source="Reaxys"} is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: is_conjugate_base_of CHEBI:86993 ! (R)-fluoxetine(1+) relationship: is_enantiomer_of CHEBI:86992 ! (S)-fluoxetine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTHCYVBBDHJXIQ-MRXNPFEDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.32610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.13405" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1" xsd:string [Term] id: CHEBI:86992 name: (S)-fluoxetine namespace: chebi_ontology def: "An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine]." [] subset: 3_STAR synonym: "(-)-fluoxetine" RELATED [ChEBI] synonym: "(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(-)-fluoxetine" RELATED [ChEBI] synonym: "(S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine" RELATED [ChEBI] synonym: "(S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine" RELATED [ChEBI] synonym: "(S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine" RELATED [ChEBI] synonym: "(S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine" RELATED [ChEBI] synonym: "(S)-Prozac" RELATED [ChEBI] xref: PMID:19144769 {source="Europe PMC"} xref: PMID:19788198 {source="Europe PMC"} xref: PMID:20663810 {source="Europe PMC"} xref: PMID:22903652 {source="Europe PMC"} xref: PMID:22923967 {source="Europe PMC"} xref: PMID:23885544 {source="Europe PMC"} xref: PMID:24464553 {source="Europe PMC"} xref: PMID:24997906 {source="Europe PMC"} xref: Reaxys:4356433 {source="Reaxys"} is_a: CHEBI:86990 ! N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: is_conjugate_base_of CHEBI:86995 ! (S)-fluoxetine(1+) relationship: is_enantiomer_of CHEBI:86991 ! (R)-fluoxetine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H18F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTHCYVBBDHJXIQ-INIZCTEOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "309.32610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "309.13405" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1" xsd:string [Term] id: CHEBI:86993 name: (R)-fluoxetine(1+) namespace: chebi_ontology def: "An organic cation resulting from the protonation of the amino group of (R)-fluoxetine." [] subset: 3_STAR synonym: "(+)-fluoxetine(1+)" RELATED [ChEBI] synonym: "(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:25263171 {source="Reaxys"} is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:86991 ! (R)-fluoxetine relationship: is_enantiomer_of CHEBI:86995 ! (S)-fluoxetine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTHCYVBBDHJXIQ-MRXNPFEDSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.33350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.14133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1" xsd:string [Term] id: CHEBI:86995 name: (S)-fluoxetine(1+) namespace: chebi_ontology def: "An organic cation resulting from the protonation of the amino group of (S)-fluoxetine." [] subset: 3_STAR synonym: "(-)-fluoxetine(1+)" RELATED [ChEBI] synonym: "(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium" EXACT IUPAC_NAME [IUPAC] xref: Reaxys:25263174 {source="Reaxys"} is_a: CHEBI:25697 ! organic cation is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:86992 ! (S)-fluoxetine relationship: is_enantiomer_of CHEBI:86993 ! (R)-fluoxetine(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H19F3NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTHCYVBBDHJXIQ-INIZCTEOSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.33350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.14133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1" xsd:string [Term] id: CHEBI:87012 name: amide antifungal agent namespace: chebi_ontology def: "A compound that has significant antifungal properties whose structure contains an amide moiety." [] subset: 3_STAR synonym: "amide antifungal agents" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:87013 name: acylamino acid fungicide namespace: chebi_ontology def: "An amide fungicide whose structure contains an acylamino acid skeleton." [] subset: 3_STAR synonym: "acylamino acid fungicides" RELATED [ChEBI] synonym: "N-acylamino acid fungicide" RELATED [ChEBI] synonym: "N-acylamino acid fungicides" RELATED [ChEBI] is_a: CHEBI:60600 ! amide fungicide [Term] id: CHEBI:87015 name: anilide fungicide namespace: chebi_ontology def: "Any amide fungicide whose structure contains an anilide group." [] subset: 3_STAR synonym: "anilide fungicides" RELATED [ChEBI] is_a: CHEBI:60600 ! amide fungicide [Term] id: CHEBI:87029 name: valinamide fungicide namespace: chebi_ontology def: "An amide fungicide whose structure contains a valine amide moiety." [] subset: 3_STAR synonym: "valinamide fungicides" RELATED [ChEBI] is_a: CHEBI:60600 ! amide fungicide is_a: CHEBI:83821 ! amino acid derivative [Term] id: CHEBI:87034 name: aromatic fungicide namespace: chebi_ontology def: "An organic aromatic compound that has been used as a fungicide." [] subset: 3_STAR synonym: "aromatic fungicides" RELATED [ChEBI] is_a: CHEBI:33659 ! organic aromatic compound relationship: has_role CHEBI:24127 ! fungicide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:87036 name: benzimidazole fungicide namespace: chebi_ontology def: "Compounds that contain a benzimidazole moiety as a key feature of their structure and which have been used as fungicides." [] subset: 3_STAR synonym: "benzimidazole fungicides" RELATED [ChEBI] is_a: CHEBI:22715 ! benzimidazoles relationship: has_role CHEBI:24127 ! fungicide property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:87039 name: bridged diphenyl fungicide namespace: chebi_ontology def: "Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has been used as a fungicide." [] subset: 3_STAR synonym: "bridged diphenyl fungicides" RELATED [ChEBI] is_a: CHEBI:60644 ! bridged diphenyl antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87061 name: carbamate fungicide namespace: chebi_ontology def: "Compounds that contain a carbamate ester moiety as a key feature of their structure and which have been used as fungicides." [] subset: 3_STAR synonym: "carbamate fungicides" RELATED [ChEBI] is_a: CHEBI:23003 ! carbamate ester relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87064 name: benzimidazolylcarbamate fungicide namespace: chebi_ontology def: "Any carbamate fungicide that contains a benzimidazolyl group attached to the nitrogen of the carbamate moiety." [] subset: 3_STAR synonym: "benzimidazolylcarbamate fungicides" RELATED [ChEBI] is_a: CHEBI:22715 ! benzimidazoles is_a: CHEBI:87061 ! carbamate fungicide [Term] id: CHEBI:87066 name: carbanilate fungicide namespace: chebi_ontology def: "Any carbamate fungicide that has a phenyl or substituted-phenyl group attached to the nitrogen of the carbamate group." [] subset: 3_STAR synonym: "carbanilate fungicides" RELATED [ChEBI] is_a: CHEBI:87061 ! carbamate fungicide [Term] id: CHEBI:87067 name: conazole fungicide namespace: chebi_ontology def: "Any conazole antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "conazole fungicides" RELATED [ChEBI] is_a: CHEBI:86323 ! conazole antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87068 name: imidazole fungicide namespace: chebi_ontology def: "Any imidazole antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "imidazole fungicides" RELATED [ChEBI] is_a: CHEBI:86420 ! imidazole antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87069 name: imidazole antifungal drug namespace: chebi_ontology def: "Any imidazole antifungal agent that has been used for the treatment of fungal infections in humans or animals." [] subset: 3_STAR synonym: "imidazole antifungal drugs" RELATED [ChEBI] is_a: CHEBI:86420 ! imidazole antifungal agent relationship: has_role CHEBI:86327 ! antifungal drug [Term] id: CHEBI:8707 name: quetiapine namespace: chebi_ontology subset: 3_STAR synonym: "2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol" RELATED [KEGG_COMPOUND] synonym: "2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol" EXACT IUPAC_NAME [IUPAC] synonym: "quetiapina" RELATED INN [ChEBI] synonym: "Quetiapine" EXACT [KEGG_COMPOUND] synonym: "quetiapine" RELATED INN [ChEBI] synonym: "quetiapinum" RELATED INN [ChEBI] xref: CAS:111974-69-7 {source="ChemIDplus"} xref: Drug_Central:2337 {source="DrugCentral"} xref: DrugBank:DB01224 xref: KEGG:C07397 xref: KEGG:D08456 xref: LINCS:LSM-3543 xref: Patent:EP240228 xref: Patent:US4879288 xref: Wikipedia:Quetiapine is_a: CHEBI:39268 ! dibenzothiazepine is_a: CHEBI:46845 ! N-alkylpiperazine is_a: CHEBI:46848 ! N-arylpiperazine relationship: has_role CHEBI:37887 ! adrenergic antagonist relationship: has_role CHEBI:37956 ! histamine antagonist relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:65191 ! second generation antipsychotic property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H25N3O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "URKOMYMAXPYINW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "383.50700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "383.16675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12" xsd:string [Term] id: CHEBI:87071 name: conazole antifungal drug namespace: chebi_ontology def: "Any conazole antifungal agent that has been used for the treatment of fungal infections in animals or humans." [] subset: 3_STAR synonym: "conazole antifungal drugs" RELATED [ChEBI] is_a: CHEBI:86323 ! conazole antifungal agent relationship: has_role CHEBI:86327 ! antifungal drug [Term] id: CHEBI:87094 name: acid red 4 namespace: chebi_ontology def: "An organic sodium salt having 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate as the counterion." [] subset: 3_STAR synonym: "Acid Eosine G" RELATED [ChemIDplus] synonym: "Amacid Eosine" RELATED [ChemIDplus] synonym: "Azo Eosine" RELATED [ChemIDplus] synonym: "azo-eosin" RELATED [ChEBI] synonym: "Azoeosin" RELATED [ChemIDplus] synonym: "azoeosin G" RELATED [ChEBI] synonym: "C.I. 14710" RELATED [ChEBI] synonym: "C.I. Acid Red 4" RELATED [ChemIDplus] synonym: "C.I. Acid Red 4, monosodium salt" RELATED [ChemIDplus] synonym: "Calcocid Eosine G" RELATED [ChemIDplus] synonym: "Curol Red B" RELATED [ChemIDplus] synonym: "Erio Fast Scarlet B" RELATED [ChemIDplus] synonym: "Fast Acid Red E" RELATED [ChemIDplus] synonym: "Fenazo Red E" RELATED [ChemIDplus] synonym: "Kiton Eosine GC" RELATED [ChemIDplus] synonym: "Metamine Fast Acid Red N" RELATED [ChemIDplus] synonym: "NSC 47706" RELATED [ChemIDplus] synonym: "sodium 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate" EXACT IUPAC_NAME [IUPAC] xref: CAS:5858-39-9 {source="ChemIDplus"} xref: PMID:17674821 {source="Europe PMC"} xref: PMID:18814899 {source="Europe PMC"} xref: PMID:20489268 {source="Europe PMC"} xref: Reaxys:14390799 {source="Reaxys"} is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:87099 ! 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate relationship: has_role CHEBI:37958 ! dye relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13N2NaO5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14N2O5S.Na/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZXGIHDNEIWPDFW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "380.35000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "380.04429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].COc1ccccc1N=Nc1cc(c2ccccc2c1O)S([O-])(=O)=O" xsd:string [Term] id: CHEBI:87098 name: 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid namespace: chebi_ontology def: "A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid carrying additional hydroxy and (2-methoxyphenyl)diazenyl substituents at positions 4 and 3 respectively. The sodium salt is the biological stain 'acid red 4'." [] subset: 3_STAR synonym: "4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acid red 4 (free acid form)" RELATED [ChEBI] xref: Reaxys:7348371 {source="Reaxys"} is_a: CHEBI:22682 ! azobenzenes is_a: CHEBI:25392 ! naphthols is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:36336 ! naphthalenesulfonic acid relationship: is_conjugate_acid_of CHEBI:87099 ! 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H14N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14N2O5S/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JRLHFEXLBNGRJO-VHEBQXMUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "358.36800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "358.06234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1\\N=N\\c1cc(c2ccccc2c1O)S(O)(=O)=O" xsd:string [Term] id: CHEBI:87099 name: 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate namespace: chebi_ontology def: "An organosulfonate oxoanion obtained by deprotonation of the sulfo group of 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid." [] subset: 3_STAR synonym: "4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "acid red 4(1-)" RELATED [ChEBI] is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:87098 ! 4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H13N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14N2O5S/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20/h2-10,20H,1H3,(H,21,22,23)/p-1/b19-18+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JRLHFEXLBNGRJO-VHEBQXMUSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "357.36100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.05507" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1\\N=N\\c1cc(c2ccccc2c1O)S([O-])(=O)=O" xsd:string [Term] id: CHEBI:87100 name: triazole fungicide namespace: chebi_ontology def: "Any triazole antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "triazole fungicides" RELATED [ChEBI] is_a: CHEBI:86426 ! triazole antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87101 name: triazole antifungal drug namespace: chebi_ontology def: "Any triazole antifungal agent that has been used for the treatment of fungal infections in humans or animals." [] subset: 3_STAR synonym: "triazole antifungal drugs" RELATED [ChEBI] is_a: CHEBI:86426 ! triazole antifungal agent relationship: has_role CHEBI:86327 ! antifungal drug [Term] id: CHEBI:87113 name: antibiotic antifungal drug namespace: chebi_ontology def: "Any antibiotic antifungal agent used to treat fungal infections in humans or animals." [] subset: 3_STAR synonym: "antibiotic antifungal drugs" RELATED [ChEBI] is_a: CHEBI:86478 ! antibiotic antifungal agent relationship: has_role CHEBI:86327 ! antifungal drug [Term] id: CHEBI:87114 name: antibiotic fungicide namespace: chebi_ontology def: "Any antibiotic antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "antibiotic fungicides" RELATED [ChEBI] is_a: CHEBI:86478 ! antibiotic antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87132 name: morpholine antifungal agent namespace: chebi_ontology def: "A member of the class of morpholines that has significant antifungal properties." [] subset: 3_STAR synonym: "morpholine antifungal agents" RELATED [ChEBI] is_a: CHEBI:38785 ! morpholines relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:87134 name: morpholine fungicide namespace: chebi_ontology def: "Any morpholine antifungal agent used as a fungicide." [] subset: 3_STAR synonym: "morpholine fungicides" RELATED [ChEBI] is_a: CHEBI:87132 ! morpholine antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87195 name: dicarboximide fungicide namespace: chebi_ontology def: "Any dicarboximide antifungal agent used as a fungicide." [] subset: 3_STAR synonym: "dicarboximide fungicides" RELATED [ChEBI] is_a: CHEBI:87200 ! dicarboximide antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87197 name: dichlorophenyl dicarboximide fungicide namespace: chebi_ontology def: "A dicarboximide fungicide in which the nitrogen of the dicarboximide group is substituted by a dichlorophenyl group." [] subset: 3_STAR synonym: "dichlorophenyl dicarboximide fungicides" RELATED [ChEBI] is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:87195 ! dicarboximide fungicide [Term] id: CHEBI:87198 name: phthalimide fungicide namespace: chebi_ontology def: "A dicarboximide fungicide whose structure contains a phthalimide derivative." [] subset: 3_STAR synonym: "phthalimide fungicides" RELATED [ChEBI] is_a: CHEBI:87195 ! dicarboximide fungicide [Term] id: CHEBI:87200 name: dicarboximide antifungal agent namespace: chebi_ontology def: "A compound that has significant antifungal properties whose structure contains a dicarboximide moiety." [] subset: 3_STAR synonym: "dicarboximide antifungal agents" RELATED [ChEBI] is_a: CHEBI:35356 ! dicarboximide relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:87204 name: pyrimidine antifungal agent namespace: chebi_ontology def: "A member of the class of pyrimidines that has significant antifungal properties." [] subset: 3_STAR synonym: "pyrimidine antifungal agents" RELATED [ChEBI] is_a: CHEBI:39447 ! pyrimidines relationship: has_role CHEBI:35718 ! antifungal agent [Term] id: CHEBI:87207 name: pyrimidine fungicide namespace: chebi_ontology def: "Any pyrimidine antifungal agent that has been used as a fungicide." [] subset: 3_STAR synonym: "pyrimidine fungicides" RELATED [ChEBI] is_a: CHEBI:87204 ! pyrimidine antifungal agent relationship: has_role CHEBI:24127 ! fungicide [Term] id: CHEBI:87208 name: anilinopyrimidine fungicide namespace: chebi_ontology def: "Any pyrimidine fungicide in which the pyrimidine ring is substituted by the nitrogen of an aniline moiety." [] subset: 3_STAR synonym: "anilinopyrimidine fungicides" RELATED [ChEBI] is_a: CHEBI:87207 ! pyrimidine fungicide [Term] id: CHEBI:87211 name: fluoroquinolone antibiotic namespace: chebi_ontology def: "An organonitrogen heterocyclic antibiotic containing a quinolone (or quinolone-like) moiety and which have a fluorine atom attached to the central ring system." [] subset: 3_STAR synonym: "fluoroquinolone antibiotics" RELATED [ChEBI] xref: PMID:24947193 {source="Europe PMC"} xref: PMID:25226071 {source="Europe PMC"} xref: PMID:8386356 {source="Europe PMC"} is_a: CHEBI:25558 ! organonitrogen heterocyclic antibiotic is_a: CHEBI:37143 ! organofluorine compound [Term] id: CHEBI:87228 name: sulfonamide antibiotic namespace: chebi_ontology def: "A class of sulfonamides whose members generally have bacteriostatic antibiotic properties." [] subset: 3_STAR synonym: "sulfonamide antibiotics" RELATED [ChEBI] synonym: "sulfonamide antimicrobial agent" RELATED [ChEBI] synonym: "sulfonamide antimicrobial agents" RELATED [ChEBI] synonym: "sulphonamide antibiotic" RELATED [ChEBI] synonym: "sulphonamide antibiotics" RELATED [ChEBI] xref: PMID:24443047 {source="Europe PMC"} xref: PMID:24928456 {source="Europe PMC"} xref: PMID:25064257 {source="Europe PMC"} xref: PMID:25796473 {source="Europe PMC"} xref: PMID:26177406 {source="Europe PMC"} xref: Wikipedia:Sulfonamide_(medicine) is_a: CHEBI:35358 ! sulfonamide relationship: has_role CHEBI:33281 ! antimicrobial agent [Term] id: CHEBI:8736 name: (R)-(+)-propranolol namespace: chebi_ontology subset: 3_STAR synonym: "(+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol" RELATED [ChemIDplus] synonym: "(+)-Propranolol" RELATED [ChemIDplus] synonym: "(2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "2R-Propranolol" RELATED [ChemIDplus] synonym: "D-Propranolol" RELATED [ChemIDplus] synonym: "Dexpropranolol" RELATED [KEGG_COMPOUND] synonym: "dexpropranolol" RELATED INN [ChEBI] synonym: "dexpropranolol" RELATED INN [WHO_MedNet] synonym: "dexpropranololum" RELATED INN [WHO_MedNet] synonym: "Dextropropranolol" RELATED [ChemIDplus] synonym: "R (+)-Propanolol" RELATED [KEGG_COMPOUND] synonym: "R-(+)-Propranolol" RELATED [KEGG_COMPOUND] xref: Beilstein:4140099 {source="Beilstein"} xref: CAS:5051-22-9 {source="ChemIDplus"} xref: CAS:5051-22-9 {source="KEGG COMPOUND"} xref: DrugBank:DB00571 xref: KEGG:C11193 xref: LINCS:LSM-5972 is_a: CHEBI:8499 ! propranolol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H21NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AQHHHDLHHXJYJD-CQSZACIVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "259.34340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "259.15723" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)NC[C@@H](O)COc1cccc2ccccc12" xsd:string [Term] id: CHEBI:87362 name: pentyl acetate namespace: chebi_ontology def: "An acetate ester of pentanol." [] subset: 3_STAR synonym: "amyl acetate" RELATED [ChEBI] synonym: "Amyl acetic ester" RELATED [NIST_Chemistry_WebBook] synonym: "pentyl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "pentyl acetate" EXACT [UniProt] xref: CAS:628-63-7 {source="ChemIDplus"} xref: CAS:628-63-7 {source="NIST Chemistry WebBook"} xref: Reaxys:1744753 {source="Reaxys"} is_a: CHEBI:47622 ! acetate ester relationship: has_functional_parent CHEBI:44884 ! pentan-1-ol relationship: has_role CHEBI:25212 ! metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGMYKACGEOXYJE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.18490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCOC(C)=O" xsd:string [Term] id: CHEBI:8746 name: (R)-salbutamol namespace: chebi_ontology subset: 3_STAR synonym: "(-)-Albuterol" RELATED [ChemIDplus] synonym: "(-)-Salbutamol" RELATED [ChemIDplus] synonym: "(R)-albuterol" RELATED [ChEBI] synonym: "4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "Levalbuterol" RELATED [KEGG_COMPOUND] synonym: "Levosalbutamol" RELATED [ChemIDplus] synonym: "R-Salbutamol" RELATED [KEGG_COMPOUND] xref: Beilstein:5741175 {source="Beilstein"} xref: CAS:34391-04-3 {source="ChemIDplus"} xref: CAS:34391-04-3 {source="KEGG COMPOUND"} xref: Drug_Central:1575 {source="DrugCentral"} xref: KEGG:C11770 xref: KEGG:D08124 xref: LINCS:LSM-5480 xref: PDBeChem:68H xref: Wikipedia:Levalbuterol is_a: CHEBI:2549 ! albuterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H21NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NDAUXUAQIAJITI-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "239.31070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.15214" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1" xsd:string [Term] id: CHEBI:87485 name: auramine O(1+) namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:35286 ! iminium ion relationship: is_conjugate_acid_of CHEBI:51874 ! auramine O free base [Term] id: CHEBI:87631 name: statin namespace: chebi_ontology def: "Any organooxygen compound whose structure is related to compactin (mevastatin) and which may be used as an anticholesteremic drug due its EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitory properties." [] subset: 3_STAR synonym: "statins" RELATED [ChEBI] xref: PMID:1464741 {source="Europe PMC"} xref: PMID:15531285 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} xref: PMID:25488134 {source="Europe PMC"} xref: PMID:25655639 {source="Europe PMC"} xref: PMID:25808421 {source="Europe PMC"} xref: PMID:25894795 {source="Europe PMC"} xref: PMID:26002574 {source="Europe PMC"} xref: Wikipedia:Statin is_a: CHEBI:36963 ! organooxygen compound relationship: has_role CHEBI:35664 ! EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor relationship: has_role CHEBI:35821 ! anticholesteremic drug [Term] id: CHEBI:87632 name: statin (naturally occurring) namespace: chebi_ontology def: "Any statin that occurs in nature. The class includes compactin (also known as mevastatin), isolated from a fermentation broth of Penicillium citrinum, and lovastatin, isolated from Aspergillus terreus." [] subset: 3_STAR synonym: "naturally occurring statin" RELATED [ChEBI] synonym: "naturally occurring statins" RELATED [ChEBI] synonym: "statins (naturally occurring)" RELATED [ChEBI] xref: Patent:WO9832751 xref: PMID:1464741 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} xref: PMID:21697731 {source="Europe PMC"} xref: PMID:22060290 {source="Europe PMC"} xref: PMID:22302254 {source="Europe PMC"} is_a: CHEBI:87631 ! statin relationship: has_role CHEBI:25212 ! metabolite [Term] id: CHEBI:87633 name: statin (semi-synthetic) namespace: chebi_ontology def: "A statin that is derived from a naturally occurring statin by partial chemical synthesis." [] subset: 3_STAR synonym: "semi-synthetic statin" RELATED [ChEBI] synonym: "semi-synthetic statins" RELATED [ChEBI] synonym: "statins (semi-synthetic)" RELATED [ChEBI] xref: PMID:1464741 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} is_a: CHEBI:72588 ! semisynthetic derivative is_a: CHEBI:87631 ! statin [Term] id: CHEBI:87635 name: statin (synthetic) namespace: chebi_ontology def: "A statin which does not occur naturally and which is not obtained by chemical transformation of a naturally occurring statin." [] subset: 3_STAR synonym: "statins (synthetic)" RELATED [ChEBI] synonym: "synthetic statin" RELATED [ChEBI] synonym: "synthetic statins" RELATED [ChEBI] xref: PMID:11464449 {source="Europe PMC"} xref: PMID:1464741 {source="Europe PMC"} xref: PMID:16059807 {source="Europe PMC"} xref: PMID:20467214 {source="Europe PMC"} is_a: CHEBI:87631 ! statin [Term] id: CHEBI:87691 name: tetradecanoate ester namespace: chebi_ontology def: "A fatty acid ester obtained by condensation of the carboxy group of tetradecanoic acid (also known as myristic acid) with a hydroxy group of an alcohol or phenol." [] subset: 3_STAR synonym: "a tetradecanoate ester" RELATED [UniProt] synonym: "myristate ester" RELATED [SUBMITTER] synonym: "myristate esters" RELATED [ChEBI] synonym: "tetradecanoate esters" RELATED [ChEBI] xref: PMID:26212120 {source="SUBMITTER"} is_a: CHEBI:35748 ! fatty acid ester relationship: has_functional_parent CHEBI:28875 ! tetradecanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H27O2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "227.364" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "227.20111" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCCCCC)CCC(O*)=O" xsd:string [Term] id: CHEBI:87732 name: 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one namespace: chebi_ontology def: "A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group." [] subset: 3_STAR synonym: "4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one" EXACT IUPAC_NAME [IUPAC] xref: LINCS:LSM-1405 xref: PPDB:681 is_a: CHEBI:37912 ! hydroxycoumarin is_a: CHEBI:51867 ! methyl ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H16O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJVWKTKQMONHTI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "308.329" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "308.10486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC2=C1C(=C(C(O2)=O)C(CC(C)=O)C3=CC=CC=C3)O" xsd:string [Term] id: CHEBI:87737 name: (R)-warfarin namespace: chebi_ontology alt_id: CHEBI:45582 def: "A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (R)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide)." [] subset: 3_STAR synonym: "(+)-warfarin" RELATED [ChEBI] synonym: "(R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone" RELATED [ChemIDplus] synonym: "(R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one" RELATED [ChemIDplus] synonym: "4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-chromen-2-one" RELATED [PDBeChem] synonym: "Dextrowarfarin" RELATED [ChemIDplus] xref: CAS:5543-58-8 {source="ChemIDplus"} xref: PDBeChem:RWF xref: PMID:21949493 {source="Europe PMC"} xref: PMID:22493814 {source="Europe PMC"} xref: PMID:24962085 {source="Europe PMC"} xref: PMID:26142522 {source="Europe PMC"} xref: PMID:26161443 {source="Europe PMC"} xref: PMID:7354137 {source="Europe PMC"} xref: Reaxys:4298023 {source="Reaxys"} is_a: CHEBI:87732 ! 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one relationship: is_conjugate_acid_of CHEBI:87743 ! (R)-warfarin(1-) relationship: is_enantiomer_of CHEBI:87738 ! (S)-warfarin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H16O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJVWKTKQMONHTI-OAHLLOKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "308.329" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "308.10486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)O" xsd:string [Term] id: CHEBI:87738 name: (S)-warfarin namespace: chebi_ontology alt_id: CHEBI:45816 def: "A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (S)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide)." [] subset: 3_STAR synonym: "(-)-Warfarin" RELATED [ChemIDplus] synonym: "(S)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone" RELATED [ChemIDplus] synonym: "4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one" RELATED [PDBeChem] synonym: "levrowarfarin" RELATED [ChEBI] xref: CAS:5543-57-7 {source="ChemIDplus"} xref: LINCS:LSM-5404 xref: PDBeChem:SWF xref: PMID:21949493 {source="Europe PMC"} xref: PMID:22493814 {source="Europe PMC"} xref: PMID:24962085 {source="Europe PMC"} xref: PMID:26142522 {source="Europe PMC"} xref: PMID:26161443 {source="Europe PMC"} xref: PMID:7354137 {source="Europe PMC"} xref: Reaxys:4298024 {source="Reaxys"} is_a: CHEBI:87732 ! 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one relationship: is_conjugate_acid_of CHEBI:87744 ! (S)-warfarin(1-) relationship: is_enantiomer_of CHEBI:87737 ! (R)-warfarin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H16O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJVWKTKQMONHTI-HNNXBMFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "308.329" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "308.10486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)O" xsd:string [Term] id: CHEBI:87743 name: (R)-warfarin(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of (R)-warfarin, obtained by deprotonation of the hydroxy group." [] subset: 3_STAR synonym: "2-oxo-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:87737 ! (R)-warfarin relationship: is_enantiomer_of CHEBI:87744 ! (S)-warfarin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H15O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJVWKTKQMONHTI-OAHLLOKOSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.09758" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)[O-]" xsd:string [Term] id: CHEBI:87744 name: (S)-warfarin(1-) namespace: chebi_ontology def: "An organic anion that is the conjugate base of (S)-warfarin, obtained by deprotonation of the hydroxy group." [] subset: 3_STAR synonym: "(S)-warfarin" RELATED [UniProt] synonym: "2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25696 ! organic anion relationship: is_conjugate_base_of CHEBI:87738 ! (S)-warfarin relationship: is_enantiomer_of CHEBI:87743 ! (R)-warfarin(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H15O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJVWKTKQMONHTI-HNNXBMFYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.09758" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)[O-]" xsd:string [Term] id: CHEBI:87755 name: pentan-3-one namespace: chebi_ontology alt_id: CHEBI:67886 def: "A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans." [] subset: 3_STAR synonym: "diethyl ketone" RELATED [ChEBI] synonym: "Ethyl propionyl" RELATED [ChEBI] synonym: "pentan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "pentan-3-one" EXACT [UniProt] xref: CAS:96-22-0 {source="NIST Chemistry WebBook"} xref: CAS:96-22-0 {source="ChemIDplus"} xref: PMID:21486009 {source="Europe PMC"} xref: Reaxys:635749 {source="Reaxys"} xref: Wikipedia:3-Pentanone is_a: CHEBI:25892 ! pentanone relationship: has_role CHEBI:75767 ! animal metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FDPIMTJIUBPUKL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "86.132" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CC)(CC)=O" xsd:string [Term] id: CHEBI:8776 name: ranitidine namespace: chebi_ontology def: "A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease." [] subset: 3_STAR synonym: "(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "ranitidina" RELATED INN [ChemIDplus] synonym: "ranitidine" RELATED INN [ChemIDplus] synonym: "ranitidinum" RELATED INN [ChemIDplus] xref: Beilstein:4327819 {source="Beilstein"} xref: CAS:66357-35-5 {source="ChemIDplus"} xref: DrugBank:DB00863 xref: HMDB:HMDB0001930 xref: KEGG:D00422 xref: Patent:FR2384765 xref: Patent:US4128658 xref: PMID:18609122 {source="Europe PMC"} xref: PMID:19694603 {source="Europe PMC"} xref: Reaxys:4327819 {source="Reaxys"} xref: Wikipedia:Ranitidine is_a: CHEBI:16385 ! organic sulfide is_a: CHEBI:24129 ! furans is_a: CHEBI:35716 ! C-nitro compound is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:37961 ! H2-receptor antagonist relationship: has_role CHEBI:49201 ! anti-ulcer drug relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H22N4O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VMXUWOKSQNHOCA-UKTHLTGXSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "314.40400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "314.14126" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN\\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O" xsd:string [Term] id: CHEBI:88048 name: cyanotoxin namespace: chebi_ontology def: "Any toxin produced by cyanobacteria (blue-green algae)." [] subset: 3_STAR synonym: "cyanotoxins" RELATED [ChEBI] xref: Wikipedia:Cyanotoxin is_a: CHEBI:27026 ! toxin is_a: CHEBI:76969 ! bacterial metabolite [Term] id: CHEBI:88061 name: polyamine namespace: chebi_ontology def: "Any organic amino compound that contains two or more amino groups." [] subset: 3_STAR synonym: "polyamines" RELATED [ChEBI] xref: Wikipedia:Polyamine is_a: CHEBI:50047 ! organic amino compound [Term] id: CHEBI:8811 name: resmethrin namespace: chebi_ontology subset: 3_STAR synonym: "(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate" RELATED [ChemIDplus] synonym: "(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "5-Benzyl-3-furylmethyl (+-)-cis,trans-chrysanthemate" RELATED [ChemIDplus] synonym: "5-Benzyl-3-furylmethyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate" RELATED [ChemIDplus] synonym: "Resmethrin" EXACT [KEGG_COMPOUND] xref: Beilstein:1351757 {source="Beilstein"} xref: CAS:10453-86-8 {source="KEGG COMPOUND"} xref: CAS:10453-86-8 {source="ChemIDplus"} xref: KEGG:C10991 xref: KEGG:D08475 xref: LINCS:LSM-1846 xref: PPDB:585 is_a: CHEBI:24129 ! furans is_a: CHEBI:50351 ! cyclopropanecarboxylate ester relationship: has_functional_parent CHEBI:3680 ! chrysanthemic acid relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:39116 ! pyrethroid ester insecticide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H26O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEMKTZHHVJILDY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "338.44004" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "338.18819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C" xsd:string [Term] id: CHEBI:88173 name: brilliant green namespace: chebi_ontology def: "An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion." [] subset: 3_STAR synonym: "(4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate" RELATED [ChemIDplus] synonym: "4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Basic green 1" RELATED [ChEBI] synonym: "C.I. 42040" RELATED [ChEBI] synonym: "C.I. Basic Green 1" RELATED [ChemIDplus] synonym: "Malachite green G" RELATED [ChEBI] xref: CAS:633-03-4 {source="ChemIDplus"} xref: PMID:25286113 {source="Europe PMC"} xref: PMID:25286114 {source="Europe PMC"} xref: PMID:25514135 {source="Europe PMC"} xref: PMID:26177467 {source="Europe PMC"} xref: PMID:26231977 {source="Europe PMC"} xref: PMID:26291760 {source="Europe PMC"} xref: PMID:26318700 {source="Europe PMC"} xref: PMID:26392090 {source="Europe PMC"} xref: Wikipedia:Brilliant_Green_(dye) is_a: CHEBI:88175 ! organic hydrogensulfate salt relationship: has_part CHEBI:88176 ! brilliant green cation relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H34N2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NNBFNNNWANBMTI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "482.637" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "482.22393" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC.OS([O-])(=O)=O" xsd:string [Term] id: CHEBI:88175 name: organic hydrogensulfate salt namespace: chebi_ontology def: "An organic salt containing hydrogensulfate as the anionic component." [] subset: 3_STAR synonym: "organic hydrogensulfates" RELATED [ChEBI] is_a: CHEBI:24868 ! organic salt relationship: has_part CHEBI:45696 ! hydrogensulfate [Term] id: CHEBI:88176 name: brilliant green cation namespace: chebi_ontology def: "An iminium ion that is the cationic component of the histological dye 'brilliant green'." [] subset: 3_STAR synonym: "4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium" EXACT IUPAC_NAME [IUPAC] synonym: "brilliant green(1+)" RELATED [ChEBI] xref: Drug_Central:4665 {source="DrugCentral"} is_a: CHEBI:35286 ! iminium ion relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H33N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HXCILVUBKWANLN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "385.565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "385.26383" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C=1C=CC=CC1)(C=2C=CC(=CC2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC" xsd:string [Term] id: CHEBI:88184 name: metal allergen namespace: chebi_ontology def: "Any metal which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic metal" RELATED [ChEBI] synonym: "allergenic metals" RELATED [ChEBI] synonym: "metal allergens" RELATED [ChEBI] is_a: CHEBI:33521 ! metal atom relationship: has_role CHEBI:50904 ! allergen [Term] id: CHEBI:88188 name: drug allergen namespace: chebi_ontology def: "Any drug which causes the onset of an allergic reaction." [] subset: 3_STAR synonym: "allergenic drug" RELATED [ChEBI] is_a: CHEBI:23888 ! drug is_a: CHEBI:50904 ! allergen [Term] id: CHEBI:88191 name: Sirius red 4B namespace: chebi_ontology def: "An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods." [] subset: 3_STAR synonym: "C.I. 28160" RELATED [ChEBI] synonym: "C.I. Direct Red 81" RELATED [ChemIDplus] synonym: "C.I. Direct Red 81 disodium salt" RELATED [ChemIDplus] synonym: "Chlorantine fast red 5B" RELATED [ChEBI] synonym: "Direct red 81" RELATED [ChEBI] synonym: "Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate" RELATED [ChemIDplus] synonym: "disodium 7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "Solaminrot 4B" RELATED [ChemIDplus] xref: CAS:2610-11-9 {source="ChemIDplus"} xref: PMID:20060376 {source="Europe PMC"} xref: PMID:22585524 {source="Europe PMC"} xref: PMID:24734585 {source="Europe PMC"} xref: PMID:24809499 {source="Europe PMC"} xref: PMID:25649265 {source="Europe PMC"} xref: PMID:26074308 {source="Europe PMC"} xref: PMID:26417357 {source="Europe PMC"} xref: Reaxys:3894142 {source="Reaxys"} is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:88193 ! Sirius red 4B(2-) relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H19N5Na2O8S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-31+,34-33+;;" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFUQRRYHIHJMPB-DUCFOALUSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "675.603" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "675.04704" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O.[Na+].[Na+]" xsd:string [Term] id: CHEBI:88192 name: Sirius red 4B (acid form) namespace: chebi_ontology def: "A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'." [] subset: 3_STAR synonym: "7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenesulfonic acid" RELATED [ChemIDplus] synonym: "7-benzamido-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Direct Red 81 (acid form)" RELATED [ChEBI] synonym: "Direct Red 81 free acid" RELATED [ChEBI] synonym: "Sirius red 4B free acid" RELATED [ChEBI] synonym: "Solaminrot 4B (acid form)" RELATED [ChEBI] synonym: "Solaminrot 4B free acid" RELATED [ChEBI] xref: CAS:25188-42-5 {source="ChemIDplus"} is_a: CHEBI:22682 ! azobenzenes is_a: CHEBI:22702 ! benzamides is_a: CHEBI:25392 ! naphthols is_a: CHEBI:36336 ! naphthalenesulfonic acid is_a: CHEBI:48960 ! bis(azo) compound relationship: has_role CHEBI:51217 ! fluorochrome relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:77178 ! histological dye relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_acid_of CHEBI:88193 ! Sirius red 4B(2-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H21N5O8S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)/b32-31+,34-33+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGXZMQCLUNTWCC-HSBKYFPUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "631.639" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "631.08316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S(O)(=O)=O)S(O)(=O)=O)NC(C=5C=CC=CC5)=O" xsd:string [Term] id: CHEBI:88193 name: Sirius red 4B(2-) namespace: chebi_ontology def: "An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form)." [] subset: 3_STAR synonym: "7-benzamido-4-hydroxy-3-({4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "Sirius red 4B dianion" RELATED [ChEBI] is_a: CHEBI:33554 ! organosulfonate oxoanion relationship: is_conjugate_base_of CHEBI:88192 ! Sirius red 4B (acid form) property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H19N5O8S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)/p-2/b32-31+,34-33+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGXZMQCLUNTWCC-HSBKYFPUSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "629.623" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "629.06860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=CC=C(C=C1C=C(C(=C2O)/N=N/C=3C=CC(=CC3)/N=N/C=4C=CC(=CC4)S([O-])(=O)=O)S([O-])(=O)=O)NC(C=5C=CC=CC5)=O" xsd:string [Term] id: CHEBI:88215 name: osmium tetroxide namespace: chebi_ontology def: "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds." [] subset: 3_STAR synonym: "Osmic acid" RELATED [ChemIDplus] synonym: "Osmic acid anhydride" RELATED [ChemIDplus] synonym: "Osmium oxide" RELATED [ChemIDplus] synonym: "Osmium tetraoxide" RELATED [ChemIDplus] synonym: "Perosmic acid anhydride" RELATED [ChemIDplus] synonym: "Perosmic oxide" RELATED [ChemIDplus] synonym: "tetraoxoosmium" EXACT IUPAC_NAME [IUPAC] xref: CAS:20816-12-0 {source="NIST Chemistry WebBook"} xref: CAS:20816-12-0 {source="ChemIDplus"} xref: PMID:12530969 {source="Europe PMC"} xref: PMID:23975065 {source="Europe PMC"} xref: PMID:25871651 {source="Europe PMC"} xref: Reaxys:11406415 {source="Reaxys"} xref: Wikipedia:Osmium_tetroxide is_a: CHEBI:35731 ! osmium coordination entity relationship: has_role CHEBI:50913 ! fixative relationship: has_role CHEBI:63248 ! oxidising agent relationship: has_role CHEBI:64909 ! poison relationship: has_role CHEBI:77178 ! histological dye property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Os" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4O.Os" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.222" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.94114" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Os](=O)(=O)=O" xsd:string [Term] id: CHEBI:88230 name: autophagy inhibitor namespace: chebi_ontology def: "Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell)." [] subset: 3_STAR synonym: "autophagocytosis inhibitor" RELATED [ChEBI] synonym: "autophagocytosis inhibitors" RELATED [ChEBI] synonym: "autophagy inhibitors" RELATED [ChEBI] xref: PMID:24830781 {source="Europe PMC"} xref: PMID:25727221 {source="Europe PMC"} xref: PMID:25793774 {source="Europe PMC"} xref: PMID:25896709 {source="Europe PMC"} xref: Wikipedia:Autophagy is_a: CHEBI:35222 ! inhibitor is_a: CHEBI:52206 ! biochemical role [Term] id: CHEBI:88306 name: 4-nitrophenols namespace: chebi_ontology def: "A mononitrophenol that is 4-nitrophenol and its derivatives resulting from substitution of one or more of the hydrogens attached to the benzene ring by a non-nitro group." [] subset: 3_STAR synonym: "p-nitrophenols" RELATED [ChEBI] is_a: CHEBI:39362 ! mononitrophenol [Term] id: CHEBI:88432 name: 5-methyl-2-hexanone namespace: chebi_ontology subset: 2_STAR synonym: "(CH3)2CHCH2CH2COCH3" RELATED [HMDB] synonym: "2-hexanone-5-methyl" RELATED [HMDB] synonym: "2-Methyl-5-Hexanone" RELATED [HMDB] synonym: "5-Methyl-2-Hexanone" EXACT [HMDB] synonym: "5-Methylhexan-2-one" RELATED [HMDB] synonym: "5-methylhexan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "5-Methylhexan-2-one [UN2302] [Flammable liquid]" RELATED [HMDB] synonym: "Isoamyl methyl ketone" RELATED [HMDB] synonym: "Isobutylacetone" RELATED [HMDB] synonym: "Isopentyl methyl ketone" RELATED [HMDB] synonym: "Ketone, methyl isoamyl" RELATED [HMDB] synonym: "Methyl isoamyl ketone" RELATED [HMDB] synonym: "Methyl isopentyl ketone" RELATED [HMDB] synonym: "MIAK" RELATED [HMDB] xref: CAS:110-12-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031549 xref: PMID:17314143 {source="Europe PMC"} xref: PMID:24023812 {source="Europe PMC"} xref: PMID:24421258 {source="Europe PMC"} is_a: CHEBI:17087 ! ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFWSICBKRCICMR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC(C)=O" xsd:string [Term] id: CHEBI:8852 name: Ricin namespace: chebi_ontology subset: 2_STAR synonym: "Ricin" EXACT [KEGG_COMPOUND] xref: CAS:9009-86-3 {source="KEGG COMPOUND"} xref: KEGG:C01362 is_a: CHEBI:50860 ! organic molecular entity [Term] id: CHEBI:88542 name: Butylparaben namespace: chebi_ontology alt_id: CHEBI:31329 subset: 2_STAR synonym: "4-(Butoxycarbonyl)phenol" RELATED [HMDB] synonym: "4-Hydroxybenzoic acid butyl ester" RELATED [HMDB] synonym: "4-Hydroxybenzoic acid, butyl ester" RELATED [HMDB] synonym: "Aseptoform butyl" RELATED [HMDB] synonym: "Benzoic acid, 4-hydroxy-, butyl ester" RELATED [HMDB] synonym: "Benzoic acid, p-hydroxy-, butyl ester" RELATED [HMDB] synonym: "Butoben" RELATED [HMDB] synonym: "Butyl //p//-hydroxybenzoate" RELATED [HMDB] synonym: "Butyl 4-hydroxybenzoate" RELATED [HMDB] synonym: "butyl 4-hydroxybenzoate" RELATED [HMDB] synonym: "Butyl butex" RELATED [HMDB] synonym: "Butyl chemosept" RELATED [HMDB] synonym: "Butyl p-hydroxybenzoate" RELATED [HMDB] synonym: "Butyl par asept" RELATED [HMDB] synonym: "Butyl paraben" RELATED [HMDB] synonym: "Butyl parahydroxybenzoate" RELATED [HMDB] synonym: "Butyl parahydroxybenzoate (JP15)" RELATED [HMDB] synonym: "Butyl parahydroxybenzoate (TN)" RELATED [HMDB] synonym: "Butyl parahydroxybenzoate (TN)" RELATED [KEGG_COMPOUND] synonym: "Butyl parasept" RELATED [HMDB] synonym: "Butyl tegosept" RELATED [HMDB] synonym: "Butyl-p-hydroxybenzoate" RELATED [HMDB] synonym: "Butyl-parasept" RELATED [HMDB] synonym: "Butylparaben (NF)" RELATED [HMDB] synonym: "Butylparaben (TN)" RELATED [HMDB] synonym: "Butylparaben (TN)" RELATED [KEGG_COMPOUND] synonym: "Butylparaben [usan]" RELATED [HMDB] synonym: "FEMA 2203" RELATED [HMDB] synonym: "Lexgard b" RELATED [HMDB] synonym: "N-Butyl 4-hydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl hydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl p-hydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl paraben" RELATED [HMDB] synonym: "N-Butyl parahydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl-4-hydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl-p-hydroxybenzoate" RELATED [HMDB] synonym: "N-Butyl-paraben" RELATED [HMDB] synonym: "Nipabutyl" RELATED [HMDB] synonym: "P-Hydroxy butyl benzoate" RELATED [HMDB] synonym: "P-Hydroxybenzoic acid butyl ester" RELATED [HMDB] synonym: "P-Hydroxybenzoic acid N-butyl ester" RELATED [HMDB] synonym: "P-Hydroxybenzoic acid, butyl ester" RELATED [HMDB] synonym: "P-Hydroxybenzoic butyl ester" RELATED [HMDB] synonym: "Parasept" RELATED [HMDB] synonym: "Preserval b" RELATED [HMDB] synonym: "Solbrol b" RELATED [HMDB] synonym: "SPF" RELATED [HMDB] synonym: "Tegosept B" RELATED [HMDB] synonym: "Tegosept butyl" RELATED [HMDB] xref: CAS:94-26-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0032575 xref: KEGG:D01420 xref: LINCS:LSM-2161 xref: PMID:18294789 {source="Europe PMC"} is_a: CHEBI:50860 ! organic molecular entity property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H14O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QFOHBWFCKVYLES-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.227" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.09429" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCOC(C1=CC=C(C=C1)O)=O" xsd:string [Term] id: CHEBI:8866 name: rimsulfuron namespace: chebi_ontology def: "A N-sulfonylurea that is N-carbamoyl-3-(ethylsulfonyl)pyridine-2-sulfonamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen atom." [] subset: 3_STAR synonym: "N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND500602179 {source="Europe PMC"} xref: CAS:122931-48-0 {source="KEGG COMPOUND"} xref: CAS:122931-48-0 {source="ChemIDplus"} xref: KEGG:C10952 xref: Pesticides:rimsulfuron {source="Alan Wood's Pesticides"} xref: PMID:23076614 {source="Europe PMC"} xref: PMID:24238286 {source="Europe PMC"} xref: PPDB:586 xref: Reaxys:7501778 {source="Reaxys"} is_a: CHEBI:26421 ! pyridines is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:35850 ! sulfone is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H17N5O7S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEFOUWRMVYJCQC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "431.44400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "431.05694" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1" xsd:string [Term] id: CHEBI:8871 name: risperidone namespace: chebi_ontology def: "A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2." [] subset: 3_STAR synonym: "3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Risperdal" RELATED BRAND_NAME [KEGG_DRUG] synonym: "risperidona" RELATED INN [ChemIDplus] synonym: "risperidone" EXACT [IUPHAR] synonym: "risperidone" RELATED INN [KEGG_DRUG] synonym: "risperidone" RELATED INN [WHO_MedNet] synonym: "risperidonum" RELATED INN [ChemIDplus] synonym: "Risperin" RELATED BRAND_NAME [DrugBank] synonym: "Rispolept" RELATED BRAND_NAME [DrugBank] synonym: "Rispolin" RELATED BRAND_NAME [DrugBank] synonym: "Sequinan" RELATED BRAND_NAME [DrugBank] xref: Beilstein:4891881 {source="Beilstein"} xref: CAS:106266-06-2 {source="ChemIDplus"} xref: CAS:106266-06-2 {source="KEGG DRUG"} xref: Drug_Central:2389 {source="DrugCentral"} xref: DrugBank:DB00734 xref: HMDB:HMDB0005020 xref: KEGG:D00426 xref: LINCS:LSM-3193 xref: Patent:EP196132 xref: Patent:US4804663 xref: PMID:11229618 {source="Europe PMC"} xref: PMID:11476125 {source="Europe PMC"} xref: PMID:14687852 {source="Europe PMC"} xref: PMID:14728058 {source="Europe PMC"} xref: PMID:15096074 {source="Europe PMC"} xref: PMID:17054229 {source="Europe PMC"} xref: PMID:18545060 {source="Europe PMC"} xref: PMID:18722468 {source="Europe PMC"} xref: PMID:19412457 {source="Europe PMC"} xref: PMID:20825390 {source="Europe PMC"} xref: PMID:23327578 {source="Europe PMC"} xref: Reaxys:4891881 {source="Reaxys"} xref: Wikipedia:Risperidone is_a: CHEBI:37143 ! organofluorine compound is_a: CHEBI:38932 ! pyridopyrimidine is_a: CHEBI:48585 ! heteroarylpiperidine is_a: CHEBI:51545 ! 1,2-benzoxazoles relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist relationship: has_role CHEBI:37955 ! H1-receptor antagonist relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48561 ! dopaminergic antagonist relationship: has_role CHEBI:65191 ! second generation antipsychotic relationship: has_role CHEBI:76779 ! EC 3.4.21.26 (prolyl oligopeptidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H27FN4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAPZEAPATHNIPO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.48450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.21180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12" xsd:string [Term] id: CHEBI:88902 name: O-Desmethylangolensin namespace: chebi_ontology subset: 2_STAR synonym: "1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one" RELATED [HMDB] synonym: "2',4'-Dihydroxy-2-(p-hydroxyphenyl)-Propiophenone" RELATED [HMDB] synonym: "2,4-Dihydroxyphenyl p-hydroxyphenethyl ketone" RELATED [HMDB] synonym: "O-Demethylangolensin" RELATED [HMDB] synonym: "O-Demethylangolesin" RELATED [HMDB] xref: CAS:21255-69-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0004629 xref: PMID:14698210 {source="Europe PMC"} xref: PMID:17449595 {source="Europe PMC"} xref: PMID:17506823 {source="Europe PMC"} xref: PMID:18326607 {source="Europe PMC"} is_a: CHEBI:26776 ! stilbenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JDJPNKPFDDUBFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "258.270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "258.08921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(C(C1=CC=C(O)C=C1)C)C2=C(O)C=C(O)C=C2" xsd:string [Term] id: CHEBI:89052 name: 2,5-dimethylfuran namespace: chebi_ontology def: "A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups." [] subset: 3_STAR synonym: "2,5-dimethyl-furan" RELATED [HMDB] synonym: "2,5-dimethylfuran" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-dimethylfurane" RELATED [NIST_Chemistry_WebBook] xref: CAS:625-86-5 {source="ChemIDplus"} xref: CAS:625-86-5 {source="NIST Chemistry WebBook"} xref: Chemspider:11763 xref: FooDB:FDB011193 xref: HMDB:HMDB0033182 xref: PMID:19167006 {source="Europe PMC"} xref: PMID:22284503 {source="Europe PMC"} xref: PMID:29697832 {source="Europe PMC"} xref: PMID:31679033 {source="Europe PMC"} xref: PMID:32181345 {source="Europe PMC"} xref: PMID:32628126 {source="Europe PMC"} xref: PMID:32940953 {source="Europe PMC"} xref: PMID:33026027 {source="Europe PMC"} xref: PMID:33166122 {source="Europe PMC"} xref: PMID:33216911 {source="Europe PMC"} xref: PMID:33230799 {source="Europe PMC"} xref: PMID:33284506 {source="Europe PMC"} xref: PMID:33300904 {source="Europe PMC"} xref: PMID:33496041 {source="Europe PMC"} xref: PMID:33496700 {source="Europe PMC"} xref: PMID:33572680 {source="Europe PMC"} xref: PMID:33772878 {source="Europe PMC"} xref: PMID:6852931 {source="Europe PMC"} xref: Wikipedia:2\,5-Dimethylfuran is_a: CHEBI:24129 ! furans relationship: has_role CHEBI:33292 ! fuel relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:39276 ! fumigant relationship: has_role CHEBI:76924 ! plant metabolite relationship: has_role CHEBI:76969 ! bacterial metabolite relationship: has_role CHEBI:77523 ! Maillard reaction product relationship: has_role CHEBI:84087 ! human urinary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GSNUFIFRDBKVIE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "96.129" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC=C(C)O1" xsd:string [Term] id: CHEBI:89195 name: 2-Methyl-4-heptanone namespace: chebi_ontology subset: 2_STAR synonym: "2,6-dimethylheptan-4-one" RELATED [HMDB] synonym: "2-methyl-4-heptanone" EXACT [HMDB] synonym: "2-Methylheptan-4-one" RELATED [HMDB] synonym: "4-Heptanone, 2-methyl-" RELATED [HMDB] synonym: "Isobutyl N-propyl ketone" RELATED [HMDB] synonym: "Isobutyl propyl ketone" RELATED [HMDB] xref: CAS:626-33-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0013821 is_a: CHEBI:17087 ! ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PTTPXKJBFFKCEK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.239" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(CC(C)C)CC(C)C" xsd:string [Term] id: CHEBI:89484 name: 4-heptanone namespace: chebi_ontology def: "A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group." [] subset: 3_STAR synonym: "4-Oxoheptane" RELATED [HMDB] synonym: "Butyrone" RELATED [HMDB] synonym: "Di-n-propyl ketone" RELATED [ChemIDplus] synonym: "Dipropyl ketone" RELATED [HMDB] synonym: "heptan-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "heptan-4-one" RELATED [UniProt] synonym: "Propyl ketone" RELATED [ChemIDplus] xref: AGR:IND80034656 {source="Europe PMC"} xref: CAS:123-19-3 {source="NIST Chemistry WebBook"} xref: CAS:123-19-3 {source="ChemIDplus"} xref: HMDB:HMDB0004814 xref: KNApSAcK:C00035501 xref: PMID:11282094 {source="Europe PMC"} xref: PMID:15195467 {source="Europe PMC"} xref: PMID:15280519 {source="Europe PMC"} xref: PMID:18803420 {source="Europe PMC"} xref: PMID:24591313 {source="Europe PMC"} xref: PMID:25818559 {source="Europe PMC"} xref: PMID:26055441 {source="Europe PMC"} xref: PMID:27060700 {source="Europe PMC"} xref: PMID:27236897 {source="Europe PMC"} xref: PMID:27241792 {source="Europe PMC"} xref: PMID:27347408 {source="Europe PMC"} xref: PMID:27779841 {source="Europe PMC"} xref: PMID:27997626 {source="Europe PMC"} xref: PMID:28254044 {source="Europe PMC"} xref: PMID:28633145 {source="Europe PMC"} xref: PMID:6853657 {source="Europe PMC"} xref: Reaxys:1699049 {source="Reaxys"} xref: Wikipedia:4-Heptanone is_a: CHEBI:18044 ! dialkyl ketone relationship: has_parent_hydride CHEBI:43098 ! heptane relationship: has_role CHEBI:59163 ! biomarker relationship: has_role CHEBI:76967 ! human xenobiotic metabolite relationship: has_role CHEBI:84087 ! human urinary metabolite relationship: has_role CHEBI:86264 ! rat metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCFAJYNVAYBARA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "114.186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(CCC)CCC" xsd:string [Term] id: CHEBI:8984 name: sodium dodecyl sulfate namespace: chebi_ontology def: "An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate." [] subset: 3_STAR synonym: "SDS" RELATED [KEGG_COMPOUND] synonym: "SLS" RELATED [ChemIDplus] synonym: "Sodium dodecyl sulfate" EXACT [KEGG_COMPOUND] synonym: "sodium dodecyl sulphate" RELATED [ChemIDplus] synonym: "sodium dodecylsulfate" RELATED [ChemIDplus] synonym: "Sodium lauryl sulfate" RELATED [KEGG_COMPOUND] synonym: "sodium lauryl sulphate" RELATED [ChemIDplus] xref: Beilstein:3599286 {source="Beilstein"} xref: CAS:151-21-3 {source="ChemIDplus"} xref: CAS:151-21-3 {source="KEGG COMPOUND"} xref: DrugBank:DB00815 xref: Gmelin:117722 {source="Gmelin"} xref: KEGG:C11166 xref: KEGG:D01045 xref: PMID:29079364 {source="Europe PMC"} is_a: CHEBI:38700 ! organic sodium salt relationship: has_part CHEBI:23872 ! dodecyl sulfate relationship: has_role CHEBI:27780 ! detergent relationship: has_role CHEBI:50533 ! protein denaturant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H25NaO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DBMJMQXJHONAFJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.38027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.13712" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].CCCCCCCCCCCCOS([O-])(=O)=O" xsd:string [Term] id: CHEBI:8994 name: safrole namespace: chebi_ontology def: "A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive." [] subset: 3_STAR synonym: "1,2-methylenedioxy-4-allylbenzene" RELATED [ChemIDplus] synonym: "1-allyl-3,4-methylenedioxybenzene" RELATED [ChemIDplus] synonym: "3,4-(methylenedioxy)allylbenzene" RELATED [ChemIDplus] synonym: "3-(3,4-methylenedioxyphenyl)prop-1-ene" RELATED [NIST_Chemistry_WebBook] synonym: "4-allyl-1,2-methylenedioxybenzene" RELATED [ChemIDplus] synonym: "4-allylpyrocatechol formaldehyde acetal" RELATED [ChemIDplus] synonym: "5-(2-propenyl)-1,3-benzodioxole" RELATED [ChemIDplus] synonym: "5-allyl-1,3-benzodioxole" EXACT IUPAC_NAME [IUPAC] synonym: "5-allyl-benzo[1,3]dioxole" RELATED [ChEBI] synonym: "allylcatechol methylene ether" RELATED [NIST_Chemistry_WebBook] synonym: "m-allylpyrocatechin methylene ether" RELATED [ChEBI] synonym: "safrol" RELATED [ChemIDplus] synonym: "shikimol" RELATED [ChemIDplus] synonym: "shikimole" RELATED [ChemIDplus] xref: CAS:94-59-7 {source="ChemIDplus"} xref: CAS:94-59-7 {source="NIST Chemistry WebBook"} xref: CAS:94-59-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033591 xref: KEGG:C10490 xref: KNApSAcK:C00002771 xref: PMID:14422 {source="Europe PMC"} xref: PMID:15334724 {source="Europe PMC"} xref: PMID:19656034 {source="Europe PMC"} xref: PMID:21089955 {source="Europe PMC"} xref: PMID:21173435 {source="Europe PMC"} xref: PMID:21591240 {source="Europe PMC"} xref: PMID:21863093 {source="Europe PMC"} xref: PMID:23112005 {source="Europe PMC"} xref: PMID:24150866 {source="Europe PMC"} xref: PMID:6191767 {source="Europe PMC"} xref: PMID:7030889 {source="Europe PMC"} xref: PMID:7806308 {source="Europe PMC"} xref: Reaxys:136380 {source="Reaxys"} xref: Wikipedia:Safrole is_a: CHEBI:38298 ! benzodioxoles relationship: has_role CHEBI:24852 ! insecticide relationship: has_role CHEBI:35617 ! flavouring agent relationship: has_role CHEBI:76924 ! plant metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMQAAUBTXCXRIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.18520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=CCc1ccc2OCOc2c1" xsd:string [Term] id: CHEBI:89993 name: 4-Methyl-3-penten-2-one, 9CI namespace: chebi_ontology subset: 2_STAR synonym: "(CH3)2C=CHC(=O)CH3" RELATED [HMDB] synonym: "1-Methylpent-2-en-4-one" RELATED [HMDB] synonym: "2,2-Dimethylvinyl methyl ketone" RELATED [HMDB] synonym: "2-Methyl-2-penten-4-one" RELATED [HMDB] synonym: "2-Methyl-2-pentenone-4" RELATED [HMDB] synonym: "2-Methyl-4-oxo-2-pentene" RELATED [HMDB] synonym: "3-Isohexen-2-one" RELATED [HMDB] synonym: "3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE" RELATED [HMDB] synonym: "4-Methyl-3-penten-2-on" RELATED [HMDB] synonym: "4-Methyl-3-Penten-2-one" RELATED [HMDB] synonym: "4-Methyl-3-penten-2-one (mesityl oxide)" RELATED [HMDB] synonym: "4-Methyl-3-pentene-2-one" RELATED [HMDB] synonym: "4-Methylpent-3-en-2-one" RELATED [HMDB] synonym: "4-methylpent-3-en-2-one" RELATED [HMDB] synonym: "4-Metil-3-penten-2-one" RELATED [HMDB] synonym: "FEMA 3368" RELATED [HMDB] synonym: "Isobutenyl methyl ketone" RELATED [HMDB] synonym: "Isopropylidene acetone" RELATED [HMDB] synonym: "Isopropylidene-Acetone" RELATED [HMDB] synonym: "Isopropylideneacetone" RELATED [HMDB] synonym: "Mesityl oxide" RELATED [HMDB] synonym: "Mesityl oxide [UN1229] [Flammable liquid]" RELATED [HMDB] synonym: "Mesityloxid" RELATED [HMDB] synonym: "Mesityloxid(german)" RELATED [HMDB] synonym: "Mesityloxyde" RELATED [HMDB] synonym: "Methyl 2,2-dimethylvinyl ketone" RELATED [HMDB] synonym: "Methyl 2-methyl-1-propenyl ketone" RELATED [HMDB] synonym: "Methyl isobutenyl ketone" RELATED [HMDB] synonym: "Ossido di mesitile" RELATED [HMDB] synonym: "Oxyde de mesityle" RELATED [HMDB] xref: CAS:141-79-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031563 xref: PMID:17314143 {source="Europe PMC"} xref: PMID:24657864 {source="Europe PMC"} is_a: CHEBI:78840 ! olefinic compound relationship: has_functional_parent CHEBI:18308 ! acrylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SHOJXDKTYKFBRD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "98.143" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CC(C)=O" xsd:string [Term] id: CHEBI:90318 name: EC 6.4.1.1 (pyruvate carboxylase) inhibitor namespace: chebi_ontology def: "An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1)." [] subset: 3_STAR synonym: "EC 6.4.1.1 (pyruvate carboxylase) inhibitors" RELATED [ChEBI] synonym: "EC 6.4.1.1 inhibitor" RELATED [ChEBI] synonym: "EC 6.4.1.1 inhibitors" RELATED [ChEBI] synonym: "pyruvate carboxylase (EC 6.4.1.1) inhibitor" RELATED [ChEBI] synonym: "pyruvate carboxylase (EC 6.4.1.1) inhibitors" RELATED [ChEBI] synonym: "pyruvate carboxylase inhibitor" RELATED [ChEBI] synonym: "pyruvate carboxylase inhibitors" RELATED [ChEBI] synonym: "pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor" RELATED [ChEBI] synonym: "pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors" RELATED [ChEBI] synonym: "pyruvic carboxylase inhibitor" RELATED [ChEBI] synonym: "pyruvic carboxylase inhibitors" RELATED [ChEBI] xref: Wikipedia:Pyruvate_carboxylase is_a: CHEBI:76824 ! EC 6.4.1.* (carboxylase) inhibitor [Term] id: CHEBI:90396 name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one namespace: chebi_ontology def: "An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells." [] subset: 3_STAR synonym: "1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-dichloro-THPH" RELATED [SUBMITTER] synonym: "Cl2-THPH" RELATED [ChEBI] synonym: "dichloro-THPH" RELATED [ChEBI] xref: CAS:118222-71-2 {source="Reaxys"} xref: PMID:9446571 {source="SUBMITTER"} xref: Reaxys:10184570 {source="Reaxys"} is_a: CHEBI:22707 ! benzenetriol is_a: CHEBI:23697 ! dichlorobenzene is_a: CHEBI:76224 ! aromatic ketone relationship: is_conjugate_acid_of CHEBI:90398 ! (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H14Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLWLDMLTAFSEDI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.143" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.02691" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)O" xsd:string [Term] id: CHEBI:90397 name: 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) namespace: chebi_ontology def: "A phenolate anion resulting from the removal of a proton from one of the hydroxy groups of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (DIF-1). The major structure at pH 7.3." [] subset: 3_STAR synonym: "1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one" RELATED [UniProt] synonym: "2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate" EXACT IUPAC_NAME [IUPAC] synonym: "DIF 1(1-)" RELATED [ChEBI] synonym: "DIF-1(1-)" RELATED [ChEBI] synonym: "differentiation-inducing factor 1(1-)" RELATED [ChEBI] synonym: "differentiation-inducing factor-1(1-)" RELATED [ChEBI] xref: PMID:9446571 {source="Europe PMC"} is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:64598 ! 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H15Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUDQSRFCCHQIIU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.03529" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)[O-]" xsd:string [Term] id: CHEBI:90398 name: (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) namespace: chebi_ontology def: "A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3." [] subset: 3_STAR synonym: "(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one" RELATED [UniProt] synonym: "2,6-dichloro-4-hexanoyl-3,5-dihydroxyphenolate" EXACT IUPAC_NAME [IUPAC] synonym: "3,5-dichloro-THPH(1-)" RELATED [ChEBI] synonym: "Cl2-THPH(1-)" RELATED [ChEBI] synonym: "dichloro-THPH(1-)" RELATED [ChEBI] xref: PMID:9446571 {source="Europe PMC"} is_a: CHEBI:50525 ! phenolate anion relationship: is_conjugate_base_of CHEBI:90396 ! (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13Cl2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H14Cl2O4/c1-2-3-4-5-6(15)7-10(16)8(13)12(18)9(14)11(7)17/h16-18H,2-5H2,1H3/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLWLDMLTAFSEDI-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "291.01964" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O" xsd:string [Term] id: CHEBI:90633 name: perfluorododecanoic acid namespace: chebi_ontology def: "A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets." [] subset: 3_STAR synonym: "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid" RELATED [ChemIDplus] synonym: "C11F23CO2H" RELATED [ChEBI] synonym: "C11F23COOH" RELATED [ChEBI] synonym: "n-C11F23CO2H" RELATED [ChEBI] synonym: "n-C11F23COOH" RELATED [ChEBI] synonym: "perfluorolauric acid" RELATED [ChemIDplus] synonym: "PFDoA" RELATED [ChEBI] synonym: "tricosafluorododecanoic acid" EXACT IUPAC_NAME [IUPAC] xref: CAS:307-55-1 {source="NIST Chemistry WebBook"} xref: CAS:307-55-1 {source="ChemIDplus"} xref: PMID:17400581 {source="Europe PMC"} xref: PMID:18028973 {source="Europe PMC"} xref: PMID:18760846 {source="Europe PMC"} xref: PMID:19397962 {source="Europe PMC"} xref: PMID:20100736 {source="Europe PMC"} xref: PMID:21677784 {source="Europe PMC"} xref: PMID:23353032 {source="Europe PMC"} xref: PMID:23800682 {source="Europe PMC"} xref: PMID:24753098 {source="Europe PMC"} xref: PMID:26168851 {source="Europe PMC"} xref: Reaxys:1811257 {source="Reaxys"} is_a: CHEBI:35551 ! fluoroalkanoic acid relationship: has_functional_parent CHEBI:30805 ! dodecanoic acid relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12HF23O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXGONMQFMIYUJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "614.099" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "613.96093" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O" xsd:string [Term] id: CHEBI:90688 name: metformin(1+) namespace: chebi_ontology def: "A guanidinium ion obtained by monoprotonation of metformin." [] subset: 3_STAR synonym: "metformin cation" RELATED [ChEBI] is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:6801 ! metformin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12N5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XZWYZXLIPXDOLR-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "130.172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "130.10872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=N)NC(=N)N(C)C.[H+]" xsd:string [Term] id: CHEBI:90700 name: strychnine(1+) namespace: chebi_ontology def: "An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine." [] subset: 3_STAR synonym: "10-oxostrychnidin-19-ium" EXACT IUPAC_NAME [IUPAC] synonym: "strychnine" RELATED [UniProt] synonym: "strychnine cation" RELATED [ChEBI] synonym: "strychninium ion" RELATED [ChEBI] is_a: CHEBI:60521 ! indole alkaloid cation relationship: is_conjugate_acid_of CHEBI:28973 ! strychnine property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H23N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/p+1/t13-,16-,17-,19-,20-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QMGVPVSNSZLJIA-FVWCLLPLSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "335.420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "335.17540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1[C@@]2([NH+]3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H]" xsd:string [Term] id: CHEBI:90708 name: retinoic acid receptor modulator namespace: chebi_ontology def: "A nuclear receptor modulator that affects the retinoic acid receptor" [] subset: 3_STAR synonym: "retinoic acid receptor modulators" RELATED [ChEBI] is_a: CHEBI:90709 ! nuclear receptor modulator [Term] id: CHEBI:90709 name: nuclear receptor modulator namespace: chebi_ontology def: "Any receptor modulator acting on nuclear receptors" [] subset: 3_STAR synonym: "nuclear receptor modulators" RELATED [ChEBI] is_a: CHEBI:90710 ! receptor modulator [Term] id: CHEBI:90710 name: receptor modulator namespace: chebi_ontology def: "A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors." [] subset: 3_STAR synonym: "receptor modulators" RELATED [ChEBI] is_a: CHEBI:23888 ! drug [Term] id: CHEBI:90755 name: antidote to opioid poisoning namespace: chebi_ontology def: "A role borne by a molecule that acts to counteract or neutralise the deleterious effects of opioids." [] subset: 3_STAR synonym: "antidote to opioid overdose" RELATED [ChEBI] xref: PMID:24510187 {source="Europe PMC"} xref: PMID:24868924 {source="Europe PMC"} is_a: CHEBI:50247 ! antidote [Term] id: CHEBI:90852 name: N-sulfonylcarboxamide namespace: chebi_ontology def: "A mixed diacylamine resulting from the formal condensation of the nitrogen of a carboxamide with a sulphonic acid." [] subset: 3_STAR synonym: "N-acylsulfonamide" RELATED [ChEBI] synonym: "N-acylsulfonamides" RELATED [ChEBI] synonym: "N-carboacylsulfonamide" RELATED [ChEBI] synonym: "N-carboacylsulfonamides" RELATED [ChEBI] synonym: "N-sulfonylcarboxamides" RELATED [ChEBI] is_a: CHEBI:37716 ! mixed diacylamine property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNO3SR3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.95989" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(N(S(*)(=O)=O)*)*" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi.owl [Term] id: CHEBI:91007 name: aromatic carboxylate namespace: chebi_ontology def: "A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3." [] subset: 3_STAR synonym: "an aromatic carboxylate" RELATED [UniProt] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33859 ! aromatic carboxylic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C([O-])=O" xsd:string [Term] id: CHEBI:91025 name: erythropoietin inhibitor namespace: chebi_ontology def: "Any inhibitor of erythropoietin, a glycoprotein hormone that controls erythropoiesis (red blood cell production)." [] subset: 3_STAR synonym: "EPO inhibitor" RELATED [ChEBI] synonym: "EPO inhibitors" RELATED [ChEBI] synonym: "erythropoietin inhibitors" RELATED [ChEBI] is_a: CHEBI:35222 ! inhibitor [Term] id: CHEBI:91079 name: purinergic receptor P2 antagonist namespace: chebi_ontology def: "An antagonist at purinergic P2 receptors" [] subset: 3_STAR synonym: "non-selective P2 purinergic antagonist" RELATED [ChEBI] synonym: "non-selective P2 purinergic antagonists" RELATED [ChEBI] synonym: "P2 antagonist" RELATED [ChEBI] synonym: "P2 antagonists" RELATED [ChEBI] synonym: "purinergic receptor P2 antagonists" RELATED [ChEBI] xref: Wikipedia:Purinergic_receptor is_a: CHEBI:48706 ! antagonist [Term] id: CHEBI:91139 name: elastin-laminin receptor agonist namespace: chebi_ontology def: "An agonist that selectively binds to and activates elastin-laminin receptors." [] subset: 3_STAR synonym: "elastin-laminin receptor agonists" RELATED [ChEBI] synonym: "ELR agonist" RELATED [ChEBI] synonym: "ELR agonists" RELATED [ChEBI] xref: PMID:9856283 {source="Europe PMC"} is_a: CHEBI:48705 ! agonist [Term] id: CHEBI:9130 name: sevoflurane namespace: chebi_ontology def: "An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups." [] subset: 3_STAR synonym: "1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane" RELATED [ChemIDplus] synonym: "1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane" EXACT IUPAC_NAME [IUPAC] synonym: "Sevofluran" RELATED [ChemIDplus] synonym: "Sevoflurane" RELATED INN [ChemIDplus] synonym: "Sevoflurano" RELATED INN [ChemIDplus] synonym: "Sevofluranum" RELATED INN [ChemIDplus] xref: Beilstein:2041023 {source="Beilstein"} xref: CAS:28523-86-6 {source="KEGG COMPOUND"} xref: CAS:28523-86-6 {source="DrugBank"} xref: CAS:28523-86-6 {source="NIST Chemistry WebBook"} xref: CAS:28523-86-6 {source="ChemIDplus"} xref: CAS:28523-86-6 {source="KEGG DRUG"} xref: Drug_Central:2439 {source="DrugCentral"} xref: DrugBank:DB01236 xref: KEGG:C07520 xref: KEGG:D00547 xref: Patent:DE1954268 xref: Patent:US3689571 xref: Wikipedia:Sevoflurane is_a: CHEBI:25698 ! ether is_a: CHEBI:37143 ! organofluorine compound relationship: has_functional_parent CHEBI:53505 ! 2-methoxypropane relationship: has_role CHEBI:35488 ! central nervous system depressant relationship: has_role CHEBI:38870 ! inhalation anaesthetic relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3F7O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFEYYRMXOJXZRJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.05480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "200.00721" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FCOC(C(F)(F)F)C(F)(F)F" xsd:string [Term] id: CHEBI:9150 name: simvastatin namespace: chebi_ontology alt_id: CHEBI:45577 def: "A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug." [] subset: 3_STAR synonym: "(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate" EXACT IUPAC_NAME [IUPAC] synonym: "2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one" RELATED [ChemIDplus] synonym: "MK-733" RELATED [KEGG_DRUG] synonym: "Simvastatin" EXACT [KEGG_DRUG] synonym: "simvastatin" RELATED INN [DrugBank] synonym: "Simvastatina" RELATED [ChemIDplus] synonym: "Simvastatine" RELATED [ChemIDplus] synonym: "Simvastatinum" RELATED [ChemIDplus] synonym: "Zocor" RELATED [ChemIDplus] xref: Beilstein:4768037 {source="Beilstein"} xref: CAS:79902-63-9 {source="ChemIDplus"} xref: CAS:79902-63-9 {source="KEGG DRUG"} xref: Drug_Central:2445 {source="DrugCentral"} xref: DrugBank:DB00641 xref: HMDB:HMDB0005007 xref: KEGG:D00434 xref: LINCS:LSM-2492 xref: Patent:EP33538 xref: Patent:US4444784 xref: PMID:11336576 {source="Europe PMC"} xref: PMID:12827636 {source="Europe PMC"} xref: PMID:14561068 {source="Europe PMC"} xref: PMID:14691614 {source="Europe PMC"} xref: PMID:14973129 {source="Europe PMC"} xref: PMID:16144183 {source="Europe PMC"} xref: PMID:17640385 {source="Europe PMC"} xref: PMID:18199328 {source="Europe PMC"} xref: PMID:18688862 {source="Europe PMC"} xref: PMID:18936176 {source="Europe PMC"} xref: PMID:22737247 {source="Europe PMC"} xref: Wikipedia:Simvastatin is_a: CHEBI:142348 ! hexahydronaphthalenes is_a: CHEBI:18946 ! delta-lactone is_a: CHEBI:35748 ! fatty acid ester is_a: CHEBI:87633 ! statin (semi-synthetic) relationship: has_functional_parent CHEBI:40303 ! lovastatin relationship: has_role CHEBI:173085 ! ferroptosis inducer relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:50266 ! prodrug relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H38O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYMZZMVNJRMUDD-HGQWONQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "418.56620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "418.27192" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12" xsd:string [Term] id: CHEBI:9168 name: sirolimus namespace: chebi_ontology alt_id: CHEBI:45276 alt_id: CHEBI:67812 def: "A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent." [] subset: 3_STAR synonym: "(-)-Rapamycin" RELATED [ChemIDplus] synonym: "(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone" RELATED [IUPAC] synonym: "(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone" EXACT IUPAC_NAME [IUPAC] synonym: "Antibiotic AY 22989" RELATED [DrugBank] synonym: "Rapamune" RELATED BRAND_NAME [DrugBank] synonym: "rapamycin" RELATED [ChEBI] synonym: "Sirolimus" EXACT [KEGG_COMPOUND] synonym: "sirolimus" RELATED INN [WHO_MedNet] synonym: "sirolimusum" RELATED INN [WHO_MedNet] xref: CAS:53123-88-9 {source="ChemIDplus"} xref: CAS:53123-88-9 {source="KEGG COMPOUND"} xref: Drug_Central:2446 {source="DrugCentral"} xref: DrugBank:DB00877 xref: HMDB:HMDB0015015 xref: KEGG:C07909 xref: KEGG:D00753 xref: KNApSAcK:C00018055 xref: LIPID_MAPS_instance:LMPK06000003 {source="LIPID MAPS"} xref: PDBeChem:RAP xref: PMID:19587680 {source="Europe PMC"} xref: PMID:22960739 {source="Europe PMC"} xref: PMID:22981852 {source="Europe PMC"} xref: PMID:22984623 {source="Europe PMC"} xref: PMID:24341993 {source="Europe PMC"} xref: PMID:24409289 {source="Europe PMC"} xref: Reaxys:5848501 {source="Reaxys"} xref: Wikipedia:Rapamycin is_a: CHEBI:145565 ! macrolide lactam is_a: CHEBI:25698 ! ether is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:35681 ! secondary alcohol is_a: CHEBI:3992 ! cyclic ketone is_a: CHEBI:59770 ! cyclic acetal is_a: CHEBI:87113 ! antibiotic antifungal drug relationship: has_role CHEBI:149553 ! anticoronaviral agent relationship: has_role CHEBI:176497 ! geroprotector relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35705 ! immunosuppressive agent relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:68481 ! mTOR inhibitor relationship: has_role CHEBI:76969 ! bacterial metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C51H79NO13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QFJCIRLUMZQUOT-HPLJOQBZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "914.17190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "913.55514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(CC[C@@H](O)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\\C=C(C)\\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\\C=C\\C=C\\C=C(C)\\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC" xsd:string [Term] id: CHEBI:9195 name: Soman namespace: chebi_ontology subset: 2_STAR synonym: "Soman" EXACT [KEGG_COMPOUND] xref: CAS:96-64-0 {source="KEGG COMPOUND"} xref: KEGG:C07494 is_a: CHEBI:37735 ! phosphonic ester property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H16FO2P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GRXKLBBBQUKJJZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.173" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.08719" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(OP(C)(F)=O)C(C)(C)C" xsd:string [Term] id: CHEBI:920 name: 2,4-dinitrotoluene namespace: chebi_ontology def: "A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene." [] subset: 3_STAR synonym: "1-methyl-2,4-dinitrobenzene" EXACT IUPAC_NAME [IUPAC] synonym: "2,4-dinitro-1-methylbenzene" RELATED [ChemIDplus] synonym: "2,4-dinitromethylbenzene" RELATED [ChemIDplus] synonym: "2,4-Dinitrotoluene" EXACT [KEGG_COMPOUND] synonym: "2,4-dinitrotoluene" EXACT [UniProt] synonym: "2,4-dinitrotoluol" RELATED [ChemIDplus] synonym: "2,4-DNT" RELATED [ChemIDplus] synonym: "2,4-DNT" RELATED [KEGG_COMPOUND] synonym: "DNT" RELATED [NIST_Chemistry_WebBook] xref: CAS:121-14-2 {source="NIST Chemistry WebBook"} xref: CAS:121-14-2 {source="ChemIDplus"} xref: CAS:121-14-2 {source="KEGG COMPOUND"} xref: KEGG:C11006 xref: PMID:24467368 {source="Europe PMC"} xref: PMID:24893713 {source="Europe PMC"} xref: Reaxys:1912834 {source="Reaxys"} xref: Wikipedia:2\,4-Dinitrotoluene is_a: CHEBI:23822 ! dinitrotoluene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMBFBMJGBANMMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.13350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.03276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:9241 name: spironolactone namespace: chebi_ontology alt_id: CHEBI:45692 def: "A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7." [] subset: 3_STAR synonym: "7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone" EXACT IUPAC_NAME [IUPAC] synonym: "espironolactona" RELATED INN [ChEBI] synonym: "Spironolactone" EXACT [KEGG_COMPOUND] synonym: "spironolactone" RELATED INN [ChEBI] synonym: "spironolactonum" RELATED INN [ChEBI] synonym: "spironolattone" RELATED [ChEBI] xref: Beilstein:57767 {source="Beilstein"} xref: CAS:52-01-7 {source="ChemIDplus"} xref: Drug_Central:2475 {source="DrugCentral"} xref: DrugBank:DB00421 xref: HMDB:HMDB0014565 xref: KEGG:C07310 xref: KEGG:D00443 xref: Patent:US3013012 xref: PDBeChem:SNL xref: PMID:11300427 {source="Europe PMC"} xref: Reaxys:57767 {source="Reaxys"} xref: Wikipedia:Spironolactone is_a: CHEBI:26766 ! steroid lactone is_a: CHEBI:37948 ! oxaspiro compound is_a: CHEBI:47909 ! 3-oxo-Delta(4) steroid is_a: CHEBI:51277 ! thioester relationship: has_role CHEBI:35498 ! diuretic relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50844 ! aldosterone antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H32O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LXMSZDCAJNLERA-ZHYRCANASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "416.57448" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "416.20213" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O" xsd:string [Term] id: CHEBI:9242 name: spiroxamine namespace: chebi_ontology alt_id: CHEBI:546779 def: "The spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes." [] subset: 3_STAR synonym: "(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine" RELATED [ChEMBL] synonym: "8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamine" RELATED [ChEBI] synonym: "Impulse" RELATED BRAND_NAME [ChEBI] synonym: "KWG4168" RELATED [KEGG_COMPOUND] synonym: "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "Prosper" RELATED BRAND_NAME [ChEBI] synonym: "Spiroxamine" EXACT [KEGG_COMPOUND] xref: AGR:IND43667533 {source="Europe PMC"} xref: CAS:118134-30-8 {source="KEGG COMPOUND"} xref: CAS:118134-30-8 {source="ChemIDplus"} xref: KEGG:C11124 xref: Patent:DE3735555 xref: Patent:US4851405 xref: Pesticides:spiroxamine {source="Alan Wood's Pesticides"} xref: PMID:16366700 {source="Europe PMC"} xref: PMID:16526469 {source="Europe PMC"} xref: PMID:17804411 {source="ChEMBL"} xref: PMID:19733892 {source="Europe PMC"} xref: PMID:20060629 {source="Europe PMC"} xref: PPDB:599 xref: Reaxys:11342560 {source="Reaxys"} is_a: CHEBI:39430 ! dioxolane is_a: CHEBI:50996 ! tertiary amino compound is_a: CHEBI:72600 ! spiroketal relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:83317 ! sterol biosynthesis inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H35NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUYXTUJWRLOUCW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "297.47600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "297.26678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1" xsd:string [Term] id: CHEBI:9288 name: streptozocin namespace: chebi_ontology def: "An N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals." [] subset: 3_STAR synonym: "2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose" RELATED [ChemIDplus] synonym: "2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose" RELATED [ChEBI] synonym: "2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "estreptozocina" RELATED INN [ChemIDplus] synonym: "N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff" RELATED [ChemIDplus] synonym: "N-D-Glucosyl-(2)-N'-nitrosomethylurea" RELATED [ChemIDplus] synonym: "streptozocin" EXACT [UniProt] synonym: "streptozocin" RELATED INN [KEGG_DRUG] synonym: "streptozocine" RELATED INN [DrugBank] synonym: "Streptozocinium" RELATED [DrugBank] synonym: "streptozocinum" RELATED INN [DrugBank] synonym: "Streptozotocin" RELATED [ChemIDplus] synonym: "Zanosar" RELATED [KEGG_COMPOUND] xref: Beilstein:2060675 {source="Beilstein"} xref: CAS:18883-66-4 {source="KEGG COMPOUND"} xref: CAS:18883-66-4 {source="ChemIDplus"} xref: DrugBank:DB00428 xref: HMDB:HMDB0014572 xref: KEGG:C07313 xref: KEGG:D05932 xref: Patent:FR1434920 xref: Patent:US2005271747 xref: Patent:US2005272738 xref: Patent:US2008085882 xref: Patent:US4156777 xref: PMID:12613763 {source="Europe PMC"} xref: PMID:23151907 {source="Europe PMC"} xref: PMID:23333576 {source="Europe PMC"} xref: PMID:23600389 {source="Europe PMC"} xref: PMID:23612842 {source="Europe PMC"} xref: PMID:23662406 {source="Europe PMC"} xref: PMID:2954873 {source="Europe PMC"} xref: Reaxys:2060675 {source="Reaxys"} xref: Wikipedia:Streptozocin is_a: CHEBI:21638 ! N-acylglucosamine is_a: CHEBI:76551 ! N-nitrosoureas relationship: has_role CHEBI:25212 ! metabolite relationship: has_role CHEBI:33281 ! antimicrobial agent relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:59517 ! DNA synthesis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H15N3O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSJLQEPLLKMAKR-GKHCUFPYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "265.22072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "265.09100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:9328 name: sulfadiazine namespace: chebi_ontology def: "A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position." [] subset: 3_STAR synonym: "2-sulfanilamidopyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "2-sulfanilylaminopyrimidine" RELATED [NIST_Chemistry_WebBook] synonym: "4-amino-N-(pyrimidin-2-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-N-2-pyrimidinylbenzenesulfonamide" RELATED [NIST_Chemistry_WebBook] synonym: "N(1)-2-pyrimidinylsulfanilamide" RELATED [NIST_Chemistry_WebBook] synonym: "N(1)-2-pyrimidylsulfanilamide" RELATED [NIST_Chemistry_WebBook] synonym: "sulfadiazin" RELATED [ChEBI] synonym: "sulfadiazina" RELATED INN [WHO_MedNet] synonym: "Sulfadiazine" EXACT [KEGG_COMPOUND] synonym: "sulfadiazine" RELATED INN [WHO_MedNet] synonym: "sulfadiazinum" RELATED INN [WHO_MedNet] synonym: "sulfapyrimidine" RELATED [ChemIDplus] synonym: "sulphadiazine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:235192 {source="Beilstein"} xref: CAS:68-35-9 {source="NIST Chemistry WebBook"} xref: CAS:68-35-9 {source="ChemIDplus"} xref: CAS:68-35-9 {source="KEGG COMPOUND"} xref: Drug_Central:2500 {source="DrugCentral"} xref: DrugBank:DB00359 xref: Gmelin:219136 {source="Gmelin"} xref: HMDB:HMDB0014503 xref: KEGG:C07658 xref: KEGG:D00587 xref: LINCS:LSM-5457 xref: Patent:GB557055 xref: Patent:US2407966 xref: Patent:US2410793 xref: PMID:11431418 {source="Europe PMC"} xref: PMID:12811231 {source="Europe PMC"} xref: PMID:13037579 {source="Europe PMC"} xref: PMID:15907564 {source="Europe PMC"} xref: PMID:18706672 {source="Europe PMC"} xref: PMID:20244050 {source="Europe PMC"} xref: PMID:23206954 {source="Europe PMC"} xref: PMID:23245764 {source="Europe PMC"} xref: PMID:23270807 {source="Europe PMC"} xref: PMID:23322489 {source="Europe PMC"} xref: PMID:23396336 {source="Europe PMC"} xref: PMID:23411088 {source="Europe PMC"} xref: PMID:23411170 {source="Europe PMC"} xref: PMID:23704574 {source="Europe PMC"} xref: PMID:23707894 {source="Europe PMC"} xref: PMID:7378112 {source="Europe PMC"} xref: PMID:8429812 {source="Europe PMC"} xref: Reaxys:235192 {source="Reaxys"} xref: VSDB:1740 xref: Wikipedia:Sulfadiazine is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:35818 ! coccidiostat relationship: has_role CHEBI:50502 ! EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: has_role CHEBI:74234 ! EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen relationship: is_conjugate_acid_of CHEBI:33127 ! sulfadiazinate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10N4O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SEEPANYCNGTZFQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "250.27700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "250.05245" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1" xsd:string [Term] id: CHEBI:9330 name: sulfamic acid namespace: chebi_ontology def: "The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms." [] subset: 3_STAR synonym: "[S(NH2)O2(OH)]" RELATED [IUPAC] synonym: "amidohydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "Amidoschwefelsaeure" RELATED [ChEBI] synonym: "Amidosulfuric acid" RELATED [KEGG_COMPOUND] synonym: "Amidosulfuric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Aminosulfonic acid" RELATED [KEGG_COMPOUND] synonym: "Imidosulfonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Sulfamic acid" EXACT [KEGG_COMPOUND] synonym: "sulfamic acid" EXACT [IUPAC] synonym: "Sulfamidic acid" RELATED [KEGG_COMPOUND] synonym: "Sulfamidsaeure" RELATED [ChEBI] synonym: "Sulfaminic acid" RELATED [NIST_Chemistry_WebBook] synonym: "sulfuramidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulphamic acid" RELATED [ChemIDplus] synonym: "sulphamidic acid" RELATED [NIST_Chemistry_WebBook] xref: CAS:5329-14-6 {source="KEGG COMPOUND"} xref: CAS:5329-14-6 {source="NIST Chemistry WebBook"} xref: CAS:5329-14-6 {source="ChemIDplus"} xref: Gmelin:25628 {source="Gmelin"} xref: Reaxys:3043314 {source="Reaxys"} xref: Wikipedia:Sulfamic_acid is_a: CHEBI:35719 ! sulfamic acids property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IIACRCGMVDHOTQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.09400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.98336" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NS(O)(=O)=O" xsd:string [Term] id: CHEBI:9332 name: sulfamethoxazole namespace: chebi_ontology alt_id: CHEBI:102247 def: "An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position." [] subset: 3_STAR synonym: "3-(p-Aminophenylsulfonamido)-5-methylisoxazole" RELATED [ChemIDplus] synonym: "3-Sulfanilamido-5-methylisoxazole" RELATED [ChemIDplus] synonym: "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide" RELATED [ChemIDplus] synonym: "Gantanol (TN)" RELATED [KEGG_DRUG] synonym: "SMX" RELATED [ChEBI] synonym: "Sulfamethoxazole" EXACT [KEGG_COMPOUND] synonym: "sulphamethoxazole" RELATED [ChEBI] xref: CAS:723-46-6 {source="KEGG COMPOUND"} xref: CAS:723-46-6 {source="ChemIDplus"} xref: CAS:723-46-6 {source="DrugBank"} xref: Drug_Central:2514 {source="DrugCentral"} xref: DrugBank:DB01015 xref: Gmelin:226453 {source="Gmelin"} xref: HMDB:HMDB0015150 xref: KEGG:C07315 xref: KEGG:D00447 xref: LINCS:LSM-5422 xref: PMID:10843725 {source="Europe PMC"} xref: PMID:10891117 {source="ChEMBL"} xref: PMID:10969989 {source="ChEMBL"} xref: PMID:11350866 {source="Europe PMC"} xref: PMID:11431418 {source="Europe PMC"} xref: PMID:12019187 {source="Europe PMC"} xref: PMID:15497867 {source="Europe PMC"} xref: PMID:15588915 {source="Europe PMC"} xref: PMID:15967282 {source="Europe PMC"} xref: PMID:15984773 {source="Europe PMC"} xref: PMID:17095123 {source="Europe PMC"} xref: PMID:17110110 {source="ChEMBL"} xref: PMID:17158933 {source="ChEMBL"} xref: PMID:17311370 {source="ChEMBL"} xref: PMID:17442935 {source="Europe PMC"} xref: PMID:17573190 {source="Europe PMC"} xref: PMID:18334600 {source="Europe PMC"} xref: PMID:18958736 {source="Europe PMC"} xref: PMID:19436870 {source="Europe PMC"} xref: PMID:20564608 {source="Europe PMC"} xref: PMID:22534821 {source="Europe PMC"} xref: PMID:226453 {source="Europe PMC"} xref: PMID:23611245 {source="Europe PMC"} xref: PMID:23649399 {source="Europe PMC"} xref: PMID:23742687 {source="Europe PMC"} xref: PMID:25851465 {source="Europe PMC"} xref: PMID:313909 {source="Europe PMC"} xref: PMID:3906132 {source="ChEMBL"} xref: PMID:6864729 {source="ChEMBL"} xref: PMID:7486915 {source="Europe PMC"} xref: PMID:7490723 {source="ChEMBL"} xref: PMID:7534104 {source="Europe PMC"} xref: PMID:7602118 {source="Europe PMC"} xref: PMID:7731020 {source="ChEMBL"} xref: PMID:7798534 {source="Europe PMC"} xref: PMID:8208693 {source="Europe PMC"} xref: PMID:8632413 {source="ChEMBL"} xref: Reaxys:226453 {source="Reaxys"} xref: Wikipedia:Sulfamethoxazole is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:55373 ! isoxazoles is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:33282 ! antibacterial agent relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50183 ! P450 inhibitor relationship: has_role CHEBI:50502 ! EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: has_role CHEBI:53000 ! epitope relationship: has_role CHEBI:74234 ! EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H11N3O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLKIGFTWXXRPMT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "253.279" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "253.05211" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C=CC(=CC1)N)S(NC=2C=C(ON2)C)(=O)=O" xsd:string [Term] id: CHEBI:9337 name: sulfathiazole namespace: chebi_ontology def: "A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position." [] subset: 3_STAR synonym: "2-(p-Aminobenzenesulfonamido)thiazole" RELATED [ChemIDplus] synonym: "2-(p-Aminobenzenesulphonamido)thiazole" RELATED [ChemIDplus] synonym: "2-(Sulfanilylamino)thiazole" RELATED [ChemIDplus] synonym: "2-Sulfanilamidothiazol" RELATED [ChemIDplus] synonym: "2-Sulfanilamidothiazole" RELATED [ChemIDplus] synonym: "2-Sulfonamidothiazole" RELATED [ChemIDplus] synonym: "4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "4-Amino-N-2-thiazolylbenzenesulfonamide" RELATED [ChemIDplus] synonym: "N(1)-2-Thiazolylsulfanilamide" RELATED [ChemIDplus] synonym: "Sulfanilamidothiazole" RELATED [ChemIDplus] synonym: "sulfathiazol" RELATED INN [ChemIDplus] synonym: "sulfathiazole" RELATED INN [KEGG_DRUG] synonym: "sulfathiazolum" RELATED INN [ChemIDplus] synonym: "Sulfatiazol" RELATED INN [ChemIDplus] synonym: "sulfthiazole" RELATED [ChEBI] synonym: "Sulphathiazole" RELATED [ChemIDplus] xref: Beilstein:226178 {source="Beilstein"} xref: CAS:72-14-0 {source="NIST Chemistry WebBook"} xref: CAS:72-14-0 {source="ChemIDplus"} xref: CAS:72-14-0 {source="KEGG COMPOUND"} xref: CAS:72-14-0 {source="KEGG DRUG"} xref: Drug_Central:2527 {source="DrugCentral"} xref: DrugBank:DB06147 xref: Gmelin:218965 {source="Gmelin"} xref: HMDB:HMDB0015619 xref: KEGG:C11169 xref: KEGG:D01047 xref: LINCS:LSM-5327 xref: Patent:GB517272 xref: Patent:US2362087 xref: Patent:US4665100 xref: PMID:11431418 {source="Europe PMC"} xref: PMID:7486915 {source="Europe PMC"} xref: Reaxys:226178 {source="Reaxys"} xref: Wikipedia:Sulfathiazole is_a: CHEBI:38418 ! 1,3-thiazoles is_a: CHEBI:48975 ! substituted aniline is_a: CHEBI:87228 ! sulfonamide antibiotic relationship: has_functional_parent CHEBI:45373 ! sulfanilamide relationship: has_role CHEBI:35441 ! antiinfective agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50502 ! EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant relationship: has_role CHEBI:88188 ! drug allergen property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H9N3O2S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JNMRHUJNCSQMMB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.319" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.01362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1(C=CC(=CC1)N)S(NC2=NC=CS2)(=O)=O" xsd:string [Term] id: CHEBI:9341 name: sulfinate namespace: chebi_ontology subset: 3_STAR synonym: "[SHO2](-)" RELATED [IUPAC] synonym: "hydridodioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "SHO2(-)" RELATED [IUPAC] synonym: "Sulfinate" EXACT [KEGG_COMPOUND] xref: Gmelin:239616 {source="Gmelin"} xref: KEGG:C01615 is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_base_of CHEBI:29213 ! sulfinic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O2S/c1-3-2/h3H,(H,1,2)/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUUPQKDIAURBJP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.07274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.97027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S([O-])=O" xsd:string [Term] id: CHEBI:9398 name: tamsulosin namespace: chebi_ontology def: "A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (R)-configuration. A specific alpha1 adrenoceptor antagonist used (generally as its hydrochloride salt, tamsulosin hydrochloride) in the treatment of prostatic hyperplasia, chronic prostatitis, urinary retention, and help with the passage of kidney stones." [] subset: 3_STAR synonym: "(-)-tamsulosin" RELATED [ChEBI] synonym: "(R)-(-)-tamsulosin" RELATED [ChEBI] synonym: "(R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide" RELATED [ChemIDplus] synonym: "5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide" EXACT IUPAC_NAME [IUPAC] synonym: "Tamsulosin" EXACT [KEGG_COMPOUND] synonym: "tamsulosin" RELATED INN [ChemIDplus] synonym: "tamsulosina" RELATED INN [ChemIDplus] synonym: "tamsulosine" RELATED INN [ChemIDplus] synonym: "tamsulosinum" RELATED INN [ChemIDplus] xref: Beilstein:6896059 {source="Beilstein"} xref: CAS:106133-20-4 {source="ChemIDplus"} xref: CAS:106133-20-4 {source="KEGG COMPOUND"} xref: Drug_Central:2562 {source="DrugCentral"} xref: DrugBank:DB00706 xref: KEGG:C07124 xref: KEGG:D08560 xref: Patent:EP34432 xref: Patent:US4703063 xref: PMID:2891044 {source="Europe PMC"} xref: PMID:29728928 {source="Europe PMC"} xref: PMID:29737501 {source="Europe PMC"} xref: PMID:29913020 {source="Europe PMC"} xref: PMID:29971698 {source="Europe PMC"} xref: PMID:29974124 {source="Europe PMC"} xref: PMID:30174141 {source="Europe PMC"} xref: PMID:30360332 {source="Europe PMC"} xref: Reaxys:6896059 {source="Reaxys"} xref: Wikipedia:Tamsulosin is_a: CHEBI:142546 ! 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:37890 ! alpha-adrenergic antagonist relationship: is_conjugate_base_of CHEBI:142544 ! tamsulosin(1+) relationship: is_enantiomer_of CHEBI:142548 ! ent-tamsulosin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28N2O5S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRHKJLXJIQTDTD-OAHLLOKOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "408.514" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "408.17189" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(OCCN[C@@H](CC2=CC=C(C(=C2)S(N)(=O)=O)OC)C)C(=CC1)OCC" xsd:string [Term] id: CHEBI:943 name: 2,6-dichlorobenzonitrile namespace: chebi_ontology alt_id: CHEBI:73174 def: "A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide." [] subset: 3_STAR synonym: "2,6-DBN" RELATED [ChemIDplus] synonym: "2,6-Dichlorobenzoic acid nitrile" RELATED [NIST_Chemistry_WebBook] synonym: "2,6-Dichlorobenzonitrile" EXACT [KEGG_COMPOUND] synonym: "2,6-dichlorobenzonitrile" EXACT IUPAC_NAME [IUPAC] synonym: "2,6-Dichlorophenyl cyanide" RELATED [ChemIDplus] synonym: "DBN" RELATED [ChemIDplus] synonym: "DCB" RELATED [ChEBI] synonym: "Dichlobanil" RELATED [KEGG_COMPOUND] synonym: "dichlobenil" RELATED [ChemIDplus] xref: Beilstein:1909167 {source="Beilstein"} xref: CAS:1194-65-6 {source="NIST Chemistry WebBook"} xref: CAS:1194-65-6 {source="ChemIDplus"} xref: CAS:1194-65-6 {source="KEGG COMPOUND"} xref: KEGG:C11040 xref: LINCS:LSM-19017 xref: Pesticides:dichlobenil {source="Alan Wood's Pesticides"} xref: PMID:16665454 {source="Europe PMC"} xref: PMID:17225099 {source="Europe PMC"} xref: PMID:20534772 {source="Europe PMC"} xref: PMID:21703663 {source="Europe PMC"} xref: PPDB:214 xref: Reaxys:1909167 {source="Reaxys"} xref: Wikipedia:2\,6-Dichlorobenzonitrile is_a: CHEBI:18379 ! nitrile is_a: CHEBI:23697 ! dichlorobenzene relationship: has_functional_parent CHEBI:27991 ! benzonitrile relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:63958 ! cellulose synthesis inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H3Cl2N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YOYAIZYFCNQIRF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.01086" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.96425" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1cccc(Cl)c1C#N" xsd:string [Term] id: CHEBI:9434 name: telmisartan namespace: chebi_ontology def: "A member of the class of benzimidazoles used widely in the treatment of hypertension." [] subset: 3_STAR synonym: "4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid" RELATED [ChemIDplus] synonym: "4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid" RELATED [ChemIDplus] synonym: "4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid" RELATED [IUPHAR] synonym: "4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid" RELATED [IUPAC] synonym: "BIBR 277" RELATED [DrugBank] synonym: "Micardis" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Telmisartan" EXACT [KEGG_COMPOUND] synonym: "telmisartan" RELATED INN [ChemIDplus] xref: Beilstein:6624054 {source="Beilstein"} xref: CAS:144701-48-4 {source="ChemIDplus"} xref: CAS:144701-48-4 {source="KEGG COMPOUND"} xref: Drug_Central:2583 {source="DrugCentral"} xref: DrugBank:DB00966 xref: HMDB:HMDB0015101 xref: KEGG:C07710 xref: KEGG:D00627 xref: LINCS:LSM-3657 xref: Patent:EP502314 xref: PMID:11558835 {source="Europe PMC"} xref: PMID:15498586 {source="Europe PMC"} xref: PMID:18008027 {source="Europe PMC"} xref: PMID:18360028 {source="Europe PMC"} xref: PMID:24048485 {source="Europe PMC"} xref: Reaxys:6624054 {source="Reaxys"} xref: Wikipedia:Telmisartan is_a: CHEBI:141493 ! carboxybiphenyl is_a: CHEBI:22715 ! benzimidazoles relationship: has_role CHEBI:35457 ! EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C33H30N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMMXLENWKUUMAY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "514.61690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "514.23688" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C" xsd:string [Term] id: CHEBI:9447 name: Terbacil namespace: chebi_ontology subset: 2_STAR synonym: "Terbacil" EXACT [KEGG_COMPOUND] xref: CAS:5902-51-2 {source="KEGG COMPOUND"} xref: KEGG:C10963 xref: PPDB:620 is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:39447 ! pyrimidines property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H13ClN2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBQCNZYJJMBDKY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "216.665" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "216.06656" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C" xsd:string [Term] id: CHEBI:9495 name: thiram namespace: chebi_ontology def: "An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment." [] subset: 3_STAR synonym: "[disulfanediylbis(carbonothioylnitrilo)]tetramethane" EXACT IUPAC_NAME [IUPAC] synonym: "[Me2NC(S)S]2" RELATED [ChEBI] synonym: "alpha,alpha'-dithiobis(dimethylthio)formamide" RELATED [ChemIDplus] synonym: "Arasan" RELATED BRAND_NAME [ChEBI] synonym: "bis((dimethylamino)carbonothioyl) disulfide" RELATED [ChemIDplus] synonym: "bis(dimethyl thiocarbamoyl)disulfide" RELATED [ChemIDplus] synonym: "Bis(dimethyl-thiocarbamoyl)-disulfid" RELATED [ChemIDplus] synonym: "bis(dimethylthiocarbamoyl) disulfide" RELATED [NIST_Chemistry_WebBook] synonym: "disulfure de tetramethylthiourame" RELATED [ChemIDplus] synonym: "N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide" RELATED [Alan_Wood's_Pesticides] synonym: "N,N'-(dithiodicarbonothioyl)bis(N-methylmethanamine)" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-tetramethylthiuram disulfide" RELATED [ChemIDplus] synonym: "Nomersan" RELATED BRAND_NAME [ChEBI] synonym: "Pomarsol" RELATED BRAND_NAME [ChEBI] synonym: "Rezifilm" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Tetramethyl-thiram disulfid" RELATED [ChemIDplus] synonym: "tetramethylenethiuram disulfide" RELATED [ChemIDplus] synonym: "Tetramethylthioperoxydicarbonic diamide" RELATED [KEGG_COMPOUND] synonym: "tetramethylthiuram disulfide" RELATED [ChemIDplus] synonym: "tetramethylthiurane disulfide" RELATED [ChemIDplus] synonym: "tetrathiuram disulfide" RELATED [ChemIDplus] synonym: "Thiram" EXACT [KEGG_COMPOUND] synonym: "thiram" RELATED INN [ChemIDplus] synonym: "thirame" RELATED INN [ChemIDplus] synonym: "thiramum" RELATED INN [ChemIDplus] synonym: "thiuram" RELATED [ChEBI] synonym: "tiramo" RELATED INN [WHO_MedNet] synonym: "TMTD" RELATED [NIST_Chemistry_WebBook] xref: CAS:137-26-8 {source="KEGG COMPOUND"} xref: CAS:137-26-8 {source="NIST Chemistry WebBook"} xref: CAS:137-26-8 {source="ChemIDplus"} xref: Drug_Central:3601 {source="DrugCentral"} xref: KEGG:C11160 xref: KEGG:D06114 xref: Pesticides:thiram {source="Alan Wood's Pesticides"} xref: PMID:14587840 {source="Europe PMC"} xref: PMID:1842585 {source="Europe PMC"} xref: PMID:20940038 {source="Europe PMC"} xref: PMID:3055654 {source="Europe PMC"} xref: PMID:3176026 {source="Europe PMC"} xref: PPDB:642 xref: Reaxys:1725821 {source="Reaxys"} xref: Wikipedia:Thiram is_a: CHEBI:35489 ! organic disulfide relationship: has_functional_parent CHEBI:83061 ! dimethyldithiocarbamic acid relationship: has_part CHEBI:84293 ! dimethyldithiocarbamate relationship: has_role CHEBI:36047 ! antibacterial drug relationship: has_role CHEBI:48218 ! antiseptic drug relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12N2S4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KUAZQDVKQLNFPE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "240.43300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.98833" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)C(=S)SSC(=S)N(C)C" xsd:string [Term] id: CHEBI:9516 name: thapsigargin namespace: chebi_ontology alt_id: CHEBI:363811 alt_id: CHEBI:45970 def: "An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations." [] subset: 3_STAR synonym: "(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate" EXACT IUPAC_NAME [IUPAC] synonym: "octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester" RELATED [ChEBI] synonym: "Tg" RELATED [ChEBI] synonym: "Thapsigargin" EXACT [KEGG_COMPOUND] synonym: "thapsigargine" RELATED [ChEBI] xref: Beilstein:4649293 {source="Beilstein"} xref: CAS:67526-95-8 {source="ChemIDplus"} xref: KEGG:C09561 xref: KNApSAcK:C00003375 xref: LIPID_MAPS_instance:LMPR0103410001 {source="LIPID MAPS"} xref: PDBeChem:TG1 xref: PMID:10477042 {source="Europe PMC"} xref: PMID:12410314 {source="Europe PMC"} xref: PMID:16874404 {source="Europe PMC"} xref: PMID:17825049 {source="Europe PMC"} xref: PMID:20357004 {source="Europe PMC"} xref: PMID:24598360 {source="Europe PMC"} xref: PMID:9014219 {source="Europe PMC"} xref: Reaxys:4649293 {source="Reaxys"} xref: Wikipedia:Thapsigargin is_a: CHEBI:26979 ! organic heterotricyclic compound is_a: CHEBI:37667 ! sesquiterpene lactone is_a: CHEBI:50477 ! butyrate ester relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:60186 ! EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H50O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IXFPJGBNCFXKPI-FSIHEZPISA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "650.75360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "650.33023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC(=O)C(\\C)=C/C)[C@@H](OC(=O)CCCCCCC)[C@@]2([H])C(=C1C)[C@]1([H])OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCC" xsd:string [Term] id: CHEBI:957 name: 2,6-dinitrotoluene namespace: chebi_ontology def: "A dinitrotoluene carrying nitro substituents at positions 2 and 6." [] subset: 3_STAR synonym: "1-methyl-2,6-dinitrobenzene" RELATED [NIST_Chemistry_WebBook] synonym: "2,6-dinitromethylbenzene" RELATED [ChemIDplus] synonym: "2,6-Dinitrotoluene" EXACT [KEGG_COMPOUND] synonym: "2,6-dinitrotoluene" EXACT [UniProt] synonym: "2,6-DNT" RELATED [KEGG_COMPOUND] synonym: "2-methyl-1,3-dinitrobenzene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2052046 {source="ChemIDplus"} xref: CAS:606-20-2 {source="NIST Chemistry WebBook"} xref: CAS:606-20-2 {source="KEGG COMPOUND"} xref: CAS:606-20-2 {source="ChemIDplus"} xref: KEGG:C11008 xref: MetaCyc:CPD-9133 xref: PMID:22155124 {source="Europe PMC"} xref: Reaxys:2052046 {source="Reaxys"} is_a: CHEBI:23822 ! dinitrotoluene relationship: has_role CHEBI:50902 ! genotoxin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XTRDKALNCIHHNI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.13350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.03276" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O" xsd:string [Term] id: CHEBI:9588 name: ticlopidine namespace: chebi_ontology def: "A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group." [] subset: 3_STAR synonym: "5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine" EXACT IUPAC_NAME [IUPAC] synonym: "ticlopidina" RELATED INN [ChemIDplus] synonym: "ticlopidine" RELATED INN [ChemIDplus] synonym: "ticlopidine" RELATED INN [WHO_MedNet] synonym: "ticlopidinum" RELATED INN [ChemIDplus] xref: CAS:55142-85-3 {source="ChemIDplus"} xref: Drug_Central:2657 {source="DrugCentral"} xref: DrugBank:DB00208 xref: KEGG:C07140 xref: KEGG:D08594 xref: LINCS:LSM-1986 xref: Patent:DE2404308 xref: Patent:US4051141 xref: Patent:US4127580 xref: PMID:19180126 {source="Europe PMC"} xref: Reaxys:1216802 {source="Reaxys"} xref: Wikipedia:Ticlopidine is_a: CHEBI:37942 ! thienopyridine is_a: CHEBI:83403 ! monochlorobenzenes relationship: has_role CHEBI:48676 ! fibrin modulating drug relationship: has_role CHEBI:50249 ! anticoagulant relationship: has_role CHEBI:50427 ! platelet aggregation inhibitor relationship: has_role CHEBI:68563 ! P2Y12 receptor antagonist property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H14ClNS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PHWBOXQYWZNQIN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.78600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.05355" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Clc1ccccc1CN1CCc2sccc2C1" xsd:string [Term] id: CHEBI:9648 name: tramadol namespace: chebi_ontology def: "A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia." [] subset: 3_STAR synonym: "(+-)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol" RELATED [ChEBI] synonym: "CG-315E" RELATED [ChEBI] synonym: "E-265" RELATED [ChEBI] synonym: "rac-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol" EXACT IUPAC_NAME [IUPAC] synonym: "tramadol" RELATED INN [WHO_MedNet] synonym: "tramadolum" RELATED INN [DrugBank] synonym: "U-26225A" RELATED [ChEBI] xref: CAS:27203-92-5 {source="ChemIDplus"} xref: CAS:27203-92-5 {source="KEGG COMPOUND"} xref: DrugBank:DB00193 xref: HMDB:HMDB0014339 xref: KEGG:C07153 xref: KEGG:D08623 xref: Patent:GB997399 xref: Patent:US3652589 xref: PMID:22674657 {source="Europe PMC"} xref: PMID:22943675 {source="Europe PMC"} xref: PMID:22964800 {source="Europe PMC"} xref: PMID:23031839 {source="Europe PMC"} xref: PMID:23061925 {source="Europe PMC"} xref: PMID:23095734 {source="Europe PMC"} xref: PMID:23098678 {source="Europe PMC"} xref: PMID:23099620 {source="Europe PMC"} xref: PMID:23102445 {source="Europe PMC"} xref: PMID:23145962 {source="Europe PMC"} xref: PMID:23292128 {source="Europe PMC"} xref: PMID:23328338 {source="Europe PMC"} xref: PMID:23433451 {source="Europe PMC"} xref: PMID:23543914 {source="Europe PMC"} xref: PMID:23668411 {source="Europe PMC"} xref: PMID:23755929 {source="Europe PMC"} xref: PMID:23756535 {source="Europe PMC"} xref: PMID:23773348 {source="Europe PMC"} xref: PMID:23822079 {source="Europe PMC"} xref: PMID:23825758 {source="Europe PMC"} xref: PMID:23840975 {source="Europe PMC"} xref: PMID:23843224 {source="Europe PMC"} xref: PMID:23872384 {source="Europe PMC"} xref: PMID:23907474 {source="Europe PMC"} xref: PMID:23962470 {source="Europe PMC"} xref: PMID:24014188 {source="Europe PMC"} xref: PMID:25219922 {source="Europe PMC"} xref: Reaxys:2943832 {source="Reaxys"} xref: Wikipedia:Tramadol is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:75725 ! (R,R)-tramadol relationship: has_part CHEBI:75731 ! (S,S)-tramadol relationship: has_role CHEBI:35482 ! opioid analgesic relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:48279 ! serotonergic antagonist relationship: has_role CHEBI:48876 ! muscarinic antagonist relationship: has_role CHEBI:48878 ! nicotinic antagonist relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:51177 ! antitussive relationship: has_role CHEBI:55322 ! mu-opioid receptor agonist relationship: has_role CHEBI:59282 ! kappa-opioid receptor agonist relationship: has_role CHEBI:60643 ! NMDA receptor antagonist relationship: has_role CHEBI:64054 ! delta-opioid receptor agonist relationship: has_role CHEBI:70774 ! capsaicin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant relationship: is_conjugate_base_of CHEBI:75736 ! tramadol(1+) property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H25NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "263.37520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "263.18853" xsd:string [Term] id: CHEBI:9665 name: triadimefon namespace: chebi_ontology def: "A racemate comprising equal amounts of (R)- and (S)-triadimefon. A fungicide used to control powdery mildew, rusts and other infections in crops." [] subset: 3_STAR synonym: "(+-)-triadimefon" RELATED [ChEBI] synonym: "(RS)-triadimefon" RELATED [ChEBI] synonym: "1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone" RELATED [ChemIDplus] synonym: "1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one" RELATED [ChemIDplus] synonym: "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone" RELATED [NIST_Chemistry_WebBook] synonym: "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone" RELATED [Alan_Wood's_Pesticides] synonym: "rac-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "rac-triadimefon" RELATED [ChEBI] synonym: "racemic triadimefon" RELATED [ChEBI] synonym: "triadimefone" RELATED [MetaCyc] xref: CAS:43121-43-3 {source="ChemIDplus"} xref: CAS:43121-43-3 {source="NIST Chemistry WebBook"} xref: CAS:43121-43-3 {source="KEGG COMPOUND"} xref: KEGG:C11156 xref: MetaCyc:CPD-4061 xref: Pesticides:triadimefon {source="Alan Wood's Pesticides"} xref: PMID:23419873 {source="Europe PMC"} xref: PMID:23876258 {source="Europe PMC"} xref: PMID:24342051 {source="Europe PMC"} xref: PMID:24531054 {source="Europe PMC"} xref: PMID:24846121 {source="Europe PMC"} xref: PMID:24962053 {source="Europe PMC"} xref: PMID:25011125 {source="Europe PMC"} xref: Reaxys:619231 {source="Reaxys"} xref: Wikipedia:Triadimefon is_a: CHEBI:60911 ! racemate is_a: CHEBI:87067 ! conazole fungicide is_a: CHEBI:87100 ! triazole fungicide relationship: has_part CHEBI:84003 ! (R)-triadimefon relationship: has_part CHEBI:84004 ! (S)-triadimefon relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H16ClN3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "293.74900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.09310" xsd:string [Term] id: CHEBI:9678 name: tribenuron methyl namespace: chebi_ontology alt_id: CHEBI:39705 def: "The methyl ester of tribenuron." [] subset: 3_STAR synonym: "methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate" RELATED [ChEBI] synonym: "METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE" RELATED [PDBeChem] synonym: "methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfmethmeton-methyl" RELATED [ChemIDplus] synonym: "Tribenuron methyl" EXACT [KEGG_COMPOUND] synonym: "Tribenuron methyl ester" RELATED [ChemIDplus] synonym: "Tribenuron-methyl" RELATED [KEGG_COMPOUND] xref: CAS:101200-48-0 {source="ChemIDplus"} xref: CAS:101200-48-0 {source="KEGG COMPOUND"} xref: KEGG:C10962 xref: PDBeChem:1TB xref: Pesticides:tribenuron {source="Alan Wood's Pesticides"} xref: PMID:20048324 {source="Europe PMC"} xref: PMID:21277578 {source="Europe PMC"} xref: PMID:21637929 {source="Europe PMC"} xref: PMID:21983197 {source="Europe PMC"} xref: PMID:22217454 {source="Europe PMC"} xref: PPDB:655 xref: Reaxys:7447730 {source="Reaxys"} is_a: CHEBI:25248 ! methyl ester is_a: CHEBI:38177 ! methoxy-1,3,5-triazine is_a: CHEBI:76983 ! N-sulfonylurea relationship: has_functional_parent CHEBI:83571 ! tribenuron relationship: has_role CHEBI:24527 ! herbicide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17N5O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VLCQZHSMCYCDJL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "395.39000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "395.08995" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1" xsd:string [Term] id: CHEBI:9682 name: trichlopyr namespace: chebi_ontology def: "A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide." [] subset: 3_STAR synonym: "[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Triclopyr" RELATED [KEGG_COMPOUND] xref: CAS:55335-06-3 {source="ChemIDplus"} xref: CAS:55335-06-3 {source="KEGG COMPOUND"} xref: KEGG:C11032 xref: Pesticides:triclopyr {source="Alan Wood's Pesticides"} xref: PMID:23688229 {source="Europe PMC"} xref: PMID:24623388 {source="Europe PMC"} xref: PMID:25309266 {source="Europe PMC"} xref: PPDB:659 xref: Reaxys:225301 {source="Reaxys"} xref: Wikipedia:Triclopyr is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:39173 ! chloropyridine relationship: has_role CHEBI:24527 ! herbicide relationship: has_role CHEBI:33286 ! agrochemical relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H4Cl3NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REEQLXCGVXDJSQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.47100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.92568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)COc1nc(Cl)c(Cl)cc1Cl" xsd:string [Term] id: CHEBI:9688 name: trichodermin namespace: chebi_ontology alt_id: CHEBI:552470 def: "A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor." [] subset: 3_STAR synonym: "(4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate" EXACT IUPAC_NAME [IUPAC] synonym: "12,13-Epoxytrichothec-9-en-4-ol acetate" RELATED [ChemIDplus] xref: Beilstein:6868411 {source="Beilstein"} xref: CAS:4682-50-2 {source="KEGG COMPOUND"} xref: CAS:4682-50-2 {source="ChemIDplus"} xref: KEGG:C09741 xref: KNApSAcK:C00003195 xref: Patent:NL302527 xref: PMID:4750433 {source="Europe PMC"} xref: PMID:6757231 {source="Europe PMC"} is_a: CHEBI:32955 ! epoxide is_a: CHEBI:38163 ! organic heterotetracyclic compound relationship: has_role CHEBI:35610 ! antineoplastic agent relationship: has_role CHEBI:35718 ! antifungal agent relationship: has_role CHEBI:48001 ! protein synthesis inhibitor property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H24O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNEGCRMUYSKRRR-NWHWRWDZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "292.37010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "292.16746" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12C[C@@H](OC(C)=O)[C@](C)([C@@]3(C)CCC(C)=C[C@@]3([H])O1)[C@@]21CO1" xsd:string [Term] id: CHEBI:9715 name: triforine namespace: chebi_ontology def: "A member of the class of N-alkylpiperazines in which the two amino groups of piperazine are replaced by 1-formamido-2,2,2-trichloroethyl groups. A fungicide active against a range of diseases including powdery mildew, scab and rust." [] subset: 3_STAR synonym: "1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine" RELATED [ChemIDplus] synonym: "1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine" RELATED [ChemIDplus] synonym: "Biformylchlorazin" RELATED [ChemIDplus] synonym: "Funginex" RELATED BRAND_NAME [ChemIDplus] synonym: "N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide" RELATED [ChemIDplus] synonym: "N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide" RELATED [ChemIDplus] synonym: "N,N'-[piperazine-1,4-diylbis(2,2,2-trichloroethane-1,1-diyl)]diformamide" EXACT IUPAC_NAME [IUPAC] xref: CAS:26644-46-2 {source="ChemIDplus"} xref: CAS:26644-46-2 {source="KEGG COMPOUND"} xref: KEGG:C10960 xref: Patent:EP0031454 xref: Patent:US3975527 xref: Pesticides:triforine {source="Alan Wood's Pesticides"} xref: PMID:1002932 {source="Europe PMC"} xref: PMID:1267484 {source="Europe PMC"} xref: PMID:15052559 {source="Europe PMC"} xref: PMID:24122157 {source="Europe PMC"} xref: PMID:2471555 {source="Europe PMC"} xref: PMID:597629 {source="Europe PMC"} xref: PMID:680740 {source="Europe PMC"} xref: PMID:7821004 {source="Europe PMC"} xref: PMID:890154 {source="Europe PMC"} xref: PPDB:669 xref: Reaxys:626358 {source="Reaxys"} is_a: CHEBI:24079 ! formamides is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:46845 ! N-alkylpiperazine is_a: CHEBI:60600 ! amide fungicide relationship: has_role CHEBI:50904 ! allergen relationship: has_role CHEBI:77884 ! EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor relationship: has_role CHEBI:86328 ! antifungal agrochemical property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14Cl6N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RROQIUMZODEXOR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.96200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "431.92479" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl" xsd:string [Term] id: CHEBI:9728 name: trimethaphan namespace: chebi_ontology def: "A complex heterocyclic sulfonium compound with an imidazolium core, used to treat hypertension." [] subset: 3_STAR synonym: "1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium" EXACT IUPAC_NAME [IUPAC] synonym: "Trimetaphan" RELATED [ChemIDplus] synonym: "Trimetaphanum" RELATED [ChemIDplus] synonym: "Trimethaphan" EXACT [KEGG_COMPOUND] xref: CAS:7187-66-8 {source="ChemIDplus"} xref: CAS:7187-66-8 {source="KEGG COMPOUND"} xref: Drug_Central:2752 {source="DrugCentral"} xref: DrugBank:DB01116 xref: KEGG:C07174 is_a: CHEBI:26830 ! sulfonium compound relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:48878 ! nicotinic antagonist relationship: has_role CHEBI:60807 ! anaesthesia adjuvant property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H25N2OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CHQOEHPMXSHGCL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "365.51200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "365.16821" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1" xsd:string [Term] id: CHEBI:9729 name: trimethaphan camsylate namespace: chebi_ontology def: "The (S)-camphorsulfonate salt of trimethaphan." [] subset: 3_STAR synonym: "(+)-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)-thiolium 2-oxo-10-bornanesulfonate (1:1)" RELATED [ChemIDplus] synonym: "1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-Dibenzyldecahydro-2-oxo-imidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate" RELATED [ChemIDplus] synonym: "1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 10-camphorsulfonate" RELATED [ChemIDplus] synonym: "camsilate de trimetaphan" RELATED INN [ChemIDplus] synonym: "cansilato de trimetafano" RELATED INN [ChemIDplus] synonym: "d-3,4-(1',3'-Dibenzyl-2'-ketoimidazolido)-1,2-trimethylenethiophanium d-camphorsulfonate" RELATED [ChemIDplus] synonym: "Trimetaphan camphorsulfonate" RELATED [ChemIDplus] synonym: "Trimetaphan camsilate" RELATED [ChemIDplus] synonym: "trimetaphan camsilate" RELATED INN [KEGG_DRUG] synonym: "Trimetaphan camsylate" RELATED [ChemIDplus] synonym: "trimetaphani camsilas" RELATED INN [ChemIDplus] synonym: "Trimethaphan 10-camphorsulfonate" RELATED [ChemIDplus] synonym: "Trimethaphan camphorsulfonate" RELATED [ChemIDplus] synonym: "trimethaphan camphorsulphonate" RELATED [ChEBI] xref: Beilstein:4114455 {source="Beilstein"} xref: CAS:68-91-7 {source="ChemIDplus"} xref: KEGG:D00612 xref: PMID:14160165 {source="Europe PMC"} xref: PMID:6196640 {source="Europe PMC"} xref: PMID:734220 {source="Europe PMC"} xref: PMID:938175 {source="Europe PMC"} xref: PMID:98729 {source="Europe PMC"} xref: Reaxys:4114455 {source="Reaxys"} is_a: CHEBI:55339 ! camphorsulfonate salt relationship: has_part CHEBI:55408 ! (S)-camphorsulfonate relationship: has_part CHEBI:9728 ! trimethaphan relationship: has_role CHEBI:35674 ! antihypertensive agent property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H25N2OS.C10H15O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C32H40N2O5S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1/t;7-,10-/m.1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HALWUDBBYKMYPW-STOWLHSFSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "596.80000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "596.23786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1" xsd:string [Term] id: CHEBI:9738 name: trimipramine namespace: chebi_ontology def: "A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant." [] subset: 3_STAR synonym: "10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propanamine" RELATED [NIST_Chemistry_WebBook] synonym: "3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine" EXACT IUPAC_NAME [IUPAC] synonym: "5-(gamma-dimethylamino-beta-methylpropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine" RELATED [NIST_Chemistry_WebBook] synonym: "5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5H-dibenz[b,f]azepine" RELATED [NIST_Chemistry_WebBook] synonym: "beta-methylimipramine" RELATED [NIST_Chemistry_WebBook] synonym: "RP-7162" RELATED [NIST_Chemistry_WebBook] synonym: "Sapilent" RELATED [ChemIDplus] synonym: "Trimeprimine" RELATED [ChemIDplus] synonym: "trimeproprimine" RELATED [NIST_Chemistry_WebBook] synonym: "Trimipramine" EXACT [ChemIDplus] xref: Beilstein:1321466 {source="ChemIDplus"} xref: CAS:739-71-9 {source="NIST Chemistry WebBook"} xref: CAS:739-71-9 {source="ChemIDplus"} xref: Drug_Central:2758 {source="DrugCentral"} xref: DrugBank:DB00726 xref: HMDB:HMDB0014864 xref: KEGG:D00394 xref: LINCS:LSM-1371 xref: Patent:CN103893187 xref: PMID:22642681 {source="Europe PMC"} xref: PMID:25178259 {source="Europe PMC"} xref: Reaxys:1321466 {source="Reaxys"} xref: Wikipedia:Trimipramine is_a: CHEBI:47804 ! dibenzoazepine is_a: CHEBI:50996 ! tertiary amino compound relationship: has_functional_parent CHEBI:47499 ! imipramine relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H26N2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZSCDBOWYZJWBIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "294.43392" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "294.20960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CN(C)C)CN1c2ccccc2CCc2ccccc12" xsd:string [Term] id: CHEBI:9927 name: valsartan namespace: chebi_ontology def: "A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity." [] subset: 3_STAR synonym: "(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine" RELATED [IUPHAR] synonym: "Diovan" RELATED [KEGG_DRUG] synonym: "N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine" RELATED [ChemIDplus] synonym: "N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine" EXACT IUPAC_NAME [IUPAC] synonym: "N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine" RELATED [IUPAC] synonym: "valsartan" RELATED INN [ChemIDplus] xref: Beilstein:7754038 {source="Beilstein"} xref: CAS:137862-53-4 {source="ChemIDplus"} xref: Drug_Central:2806 {source="DrugCentral"} xref: DrugBank:DB00177 xref: HMDB:HMDB0014323 xref: KEGG:D00400 xref: LINCS:LSM-2993 xref: Patent:EP443983 xref: Patent:US5399578 xref: Reaxys:7754038 {source="Reaxys"} xref: Wikipedia:Valsartan is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:29347 ! monocarboxylic acid amide is_a: CHEBI:48420 ! biphenylyltetrazole relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:61016 ! angiotensin receptor antagonist relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H29N5O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ACWBQPMHZXGDFX-QFIPXVFZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "435.51896" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "435.22704" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O" xsd:string [Term] id: CHEBI:9937 name: vasopressin namespace: chebi_ontology def: "A family of cyclic nonapeptide hormones found in most mammals. Synthesised in the hypothalamus and stored in the post-pituitary, vasopressins play a key role in homeostasis, particularly in regulating the body's water content. Together with the similar neuropeptide oxytocin, they are believed to influence social cognition and behaviour." [] subset: 3_STAR synonym: "ADH" RELATED [KEGG_COMPOUND] synonym: "Antidiuretic hormone" RELATED [KEGG_COMPOUND] synonym: "arginine vasopressin" RELATED [ChEBI] synonym: "argipressin" RELATED [ChEBI] synonym: "AVP" RELATED [ChEBI] synonym: "beta-Hypophamine" RELATED [ChemIDplus] synonym: "Inyectable de vasopresina" RELATED INN [ChemIDplus] synonym: "Solute injectable de vasopressine" RELATED INN [ChemIDplus] synonym: "Vasopressin" EXACT [KEGG_COMPOUND] synonym: "Vasopressini injectio" RELATED INN [ChemIDplus] synonym: "VP" RELATED [KEGG_COMPOUND] xref: CAS:11000-17-2 {source="ChemIDplus"} xref: KEGG:C00840 xref: KEGG:D00101 xref: PMID:18988842 {source="Europe PMC"} xref: PMID:20445498 {source="Europe PMC"} is_a: CHEBI:24533 ! heterodetic cyclic peptide is_a: CHEBI:25905 ! peptide hormone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C46H65N15O12S2.C46H65N13O12S2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "2140.458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "2138.86956" xsd:string [Term] id: CHEBI:9943 name: venlafaxine namespace: chebi_ontology def: "A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group." [] subset: 3_STAR synonym: "1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol" EXACT IUPAC_NAME [IUPAC] synonym: "Elafax" RELATED [ChemIDplus] synonym: "venlafaxina" RELATED INN [WHO_MedNet] synonym: "Venlafaxine" EXACT [KEGG_COMPOUND] synonym: "venlafaxine" RELATED INN [WHO_MedNet] synonym: "venlafaxine" RELATED INN [ChemIDplus] synonym: "venlafaxinum" RELATED INN [WHO_MedNet] xref: Beilstein:4234848 {source="Beilstein"} xref: CAS:93413-69-5 {source="ChemIDplus"} xref: CAS:93413-69-5 {source="KEGG COMPOUND"} xref: Drug_Central:2813 {source="DrugCentral"} xref: DrugBank:DB00285 xref: HMDB:HMDB0005016 xref: KEGG:C07187 xref: KEGG:D08670 xref: LINCS:LSM-1616 xref: PMID:11098420 {source="Europe PMC"} xref: PMID:12409680 {source="Europe PMC"} xref: PMID:18321472 {source="Europe PMC"} xref: Reaxys:4234848 {source="Reaxys"} xref: Wikipedia:Venlafaxine is_a: CHEBI:23480 ! cyclohexanols is_a: CHEBI:25235 ! monomethoxybenzene is_a: CHEBI:26878 ! tertiary alcohol is_a: CHEBI:50996 ! tertiary amino compound relationship: has_role CHEBI:35469 ! antidepressant relationship: has_role CHEBI:35480 ! analgesic relationship: has_role CHEBI:35640 ! adrenergic uptake inhibitor relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:50949 ! serotonin uptake inhibitor relationship: has_role CHEBI:51039 ! dopamine uptake inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H27NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PNVNVHUZROJLTJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "277.40182" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "277.20418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1" xsd:string [Term] id: CHEBI:9948 name: verapamil namespace: chebi_ontology def: "A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine." [] subset: 3_STAR synonym: "rac-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile" EXACT IUPAC_NAME [IUPAC] synonym: "Verapamil" EXACT [KEGG_COMPOUND] synonym: "verapamil" RELATED INN [WHO_MedNet] synonym: "verapamil" RELATED INN [ChemIDplus] synonym: "verapamilo" RELATED INN [ChemIDplus] synonym: "verapamilum" RELATED INN [ChemIDplus] xref: Beilstein:2825000 {source="Beilstein"} xref: CAS:52-53-9 {source="ChemIDplus"} xref: CAS:52-53-9 {source="NIST Chemistry WebBook"} xref: CAS:52-53-9 {source="KEGG COMPOUND"} xref: DrugBank:DB00661 xref: HMDB:HMDB0001850 xref: KEGG:C07188 xref: KEGG:D02356 xref: PMID:11142488 {source="Europe PMC"} xref: PMID:11389609 {source="Europe PMC"} xref: PMID:11454724 {source="Europe PMC"} xref: PMID:11975770 {source="Europe PMC"} xref: PMID:12454681 {source="Europe PMC"} xref: PMID:14681337 {source="Europe PMC"} xref: PMID:16545584 {source="Europe PMC"} xref: PMID:17525564 {source="Europe PMC"} xref: PMID:17724247 {source="Europe PMC"} xref: PMID:18093581 {source="Europe PMC"} xref: PMID:18337499 {source="Europe PMC"} xref: PMID:19125880 {source="Europe PMC"} xref: PMID:24532601 {source="Europe PMC"} xref: PMID:24577794 {source="Europe PMC"} xref: PMID:25297337 {source="Europe PMC"} xref: PMID:25331694 {source="Europe PMC"} xref: PMID:25650380 {source="Europe PMC"} xref: PMID:25968157 {source="Europe PMC"} xref: PMID:26046259 {source="Europe PMC"} xref: PMID:26504804 {source="Europe PMC"} xref: PMID:26553277 {source="Europe PMC"} xref: PMID:26567612 {source="Europe PMC"} xref: PMID:8861548 {source="Europe PMC"} xref: Reaxys:2825000 {source="Reaxys"} xref: Wikipedia:Verapamil is_a: CHEBI:60911 ! racemate relationship: has_part CHEBI:77734 ! dexverapamil relationship: has_part CHEBI:77736 ! (S)-verapamil relationship: has_role CHEBI:35620 ! vasodilator agent relationship: has_role CHEBI:35674 ! antihypertensive agent relationship: has_role CHEBI:35703 ! xenobiotic relationship: has_role CHEBI:38070 ! anti-arrhythmia drug relationship: has_role CHEBI:38215 ! calcium channel blocker relationship: has_role CHEBI:62872 ! EC 1.2.3.1 (aldehyde oxidase) inhibitor relationship: has_role CHEBI:77255 ! EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor relationship: has_role CHEBI:77745 ! EC 3.4.24.18 (meprin A) inhibitor relationship: has_role CHEBI:77747 ! EC 3.6.3.1 (phospholipid-translocating ATPase) inhibitor relationship: has_role CHEBI:77748 ! EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor relationship: has_role CHEBI:78298 ! environmental contaminant property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H38N2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.60160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.28316" xsd:string [Term] id: CHEBI:9986 name: vinclozolin namespace: chebi_ontology def: "A racemate comprising equimolar amounts of (R)- and (S)-vinclozolin. A fungicide used mainly on oilseed rape, vines, fruit and vegetables to control Botrytis, Sclerotinia and Monilia spp." [] subset: 3_STAR synonym: "(+-)-vinclozolin" RELATED [ChEBI] synonym: "(RS)-vinclozolin" RELATED [ChEBI] synonym: "3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione" RELATED [ChemIDplus] synonym: "3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione" RELATED [ChemIDplus] synonym: "N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione" RELATED [NIST_Chemistry_WebBook] synonym: "rac-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione" EXACT IUPAC_NAME [IUPAC] synonym: "rac-vinclozolin" RELATED [ChEBI] synonym: "racemic vinclozolin" RELATED [ChEBI] synonym: "Vinchlozoline" RELATED [ChemIDplus] synonym: "Vinclozoline" RELATED [ChemIDplus] xref: CAS:50471-44-8 {source="ChemIDplus"} xref: CAS:50471-44-8 {source="NIST Chemistry WebBook"} xref: CAS:50471-44-8 {source="KEGG COMPOUND"} xref: KEGG:C10981 xref: Pesticides:vinclozolin {source="Alan Wood's Pesticides"} xref: PMID:24072643 {source="Europe PMC"} xref: PMID:24333988 {source="Europe PMC"} xref: PMID:24388192 {source="Europe PMC"} xref: PMID:24497202 {source="Europe PMC"} xref: PMID:24636578 {source="Europe PMC"} xref: PMID:24995616 {source="Europe PMC"} xref: PMID:25019461 {source="Europe PMC"} xref: PMID:25051444 {source="Europe PMC"} xref: PMID:25111804 {source="Europe PMC"} xref: PMID:25161548 {source="Europe PMC"} xref: PMID:25190560 {source="Europe PMC"} xref: PMID:25324206 {source="Europe PMC"} xref: Reaxys:1080192 {source="Reaxys"} xref: Reaxys:8331312 {source="Reaxys"} xref: Wikipedia:Vinclozolin is_a: CHEBI:60911 ! racemate is_a: CHEBI:87197 ! dichlorophenyl dicarboximide fungicide relationship: has_part CHEBI:83733 ! (R)-vinclozolin relationship: has_part CHEBI:83735 ! (S)-vinclozolin relationship: has_role CHEBI:35497 ! androgen antagonist relationship: has_role CHEBI:86328 ! antifungal agrochemical [Term] id: CL:0000000 name: cell def: "A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane." [CARO:mah] comment: The definition of cell is intended to represent all cells, and thus a cell is defined as a material entity and not an anatomical structure, which implies that it is part of an organism (or the entirety of one). subset: ubprop:upper_level xref: CALOHA:TS-2035 xref: FBbt:00007002 xref: FMA:68646 xref: GO:0005623 xref: KUPO:0000002 xref: MESH:D002477 xref: VHOG:0001533 xref: WBbt:0004017 xref: XAO:0003012 is_a: CARO:0000003 ! anatomical structure relationship: has_part GO:0005634 {gci_filler="PATO:0001407", gci_relation="has_characteristic"} ! nucleus relationship: has_part GO:0005634 {gci_filler="PATO:0001908", gci_relation="has_characteristic"} ! nucleus relationship: only_in_taxon NCBITaxon:131567 ! cellular organisms property_value: IAO:0000412 http://purl.obolibrary.org/obo/cl.owl [Term] id: ECTO:0000001 name: exposure to radiation def: "A exposure event involving the interaction of an exposure receptor to radiation." [] synonym: "radiation exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001023 ! has exposure stimulus radiation relationship: RO:0002309 ENVO:01001023 ! has exposure stimulus radiation [Term] id: ECTO:0000002 name: exposure to electromagnetic radiation def: "A exposure event involving the interaction of an exposure receptor to electromagnetic radiation." [] synonym: "electromagnetic radiation exposure" EXACT [] is_a: ECTO:0000001 ! exposure to radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001026 ! has exposure stimulus electromagnetic radiation relationship: RO:0002309 ENVO:01001026 ! has exposure stimulus electromagnetic radiation [Term] id: ECTO:0000006 name: exposure to ultraviolet radiation def: "A exposure event involving the interaction of an exposure receptor to ultraviolet radiation." [] synonym: "ultraviolet radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001216 ! has exposure stimulus ultraviolet radiation relationship: RO:0002309 ENVO:21001216 ! has exposure stimulus ultraviolet radiation [Term] id: ECTO:0000007 name: exposure to visible light radiation def: "A exposure event involving the interaction of an exposure receptor to visible spectrum radiation." [] synonym: "visible spectrum radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001215 ! has exposure stimulus visible spectrum radiation relationship: RO:0002309 ENVO:21001215 ! has exposure stimulus visible spectrum radiation [Term] id: ECTO:0000015 name: exposure to environmental material def: "A exposure event involving the interaction of an exposure receptor to environmental material." [] synonym: "environmental material exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00010483 ! has exposure stimulus environmental material relationship: RO:0002309 ENVO:00010483 ! has exposure stimulus environmental material [Term] id: ECTO:0000135 name: exposure to organic compound def: "An exposure to organic molecular entity." [] synonym: "exposure to organic molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50860 ! has exposure stimulus organic molecular entity relationship: RO:0002309 CHEBI:50860 ! has exposure stimulus organic molecular entity [Term] id: ECTO:0000163 name: exposure to organic cyclic compound def: "An exposure to organic cyclic compound." [] synonym: "exposure to organic cyclic compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33832 ! has exposure stimulus organic cyclic compound relationship: RO:0002309 CHEBI:33832 ! has exposure stimulus organic cyclic compound [Term] id: ECTO:0000172 name: exposure to methotrexate def: "An exposure to methotrexate." [] synonym: "exposure to methotrexate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44185 ! has exposure stimulus methotrexate relationship: RO:0002309 CHEBI:44185 ! has exposure stimulus methotrexate [Term] id: ECTO:0000173 name: exposure to corticosteroid def: "An exposure to corticosteroid." [] synonym: "exposure to corticosteroid" EXACT [] is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50858 ! has exposure stimulus corticosteroid relationship: RO:0002309 CHEBI:50858 ! has exposure stimulus corticosteroid [Term] id: ECTO:0000200 name: exposure to lipid def: "An exposure to lipid." [] synonym: "exposure to lipid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18059 ! has exposure stimulus lipid relationship: RO:0002309 CHEBI:18059 ! has exposure stimulus lipid [Term] id: ECTO:0000207 name: exposure to carbon monoxide def: "An exposure to carbon monoxide." [] synonym: "exposure to carbon monoxide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17245 ! has exposure stimulus carbon monoxide relationship: RO:0002309 CHEBI:17245 ! has exposure stimulus carbon monoxide [Term] id: ECTO:0000231 name: exposure to chemical def: "An exposure to chemical entity." [] synonym: "exposure to chemical entity" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24431 ! has exposure stimulus chemical entity relationship: RO:0002309 CHEBI:24431 ! has exposure stimulus chemical entity [Term] id: ECTO:0000258 name: exposure to steroid hormone def: "An exposure to steroid hormone." [] synonym: "exposure to steroid hormone" EXACT [] is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26764 ! has exposure stimulus steroid hormone relationship: RO:0002309 CHEBI:26764 ! has exposure stimulus steroid hormone [Term] id: ECTO:0000259 name: exposure to glucocorticoid def: "An exposure to glucocorticoid." [] synonym: "exposure to glucocorticoid" EXACT [] is_a: ECTO:0000173 ! exposure to corticosteroid is_a: ECTO:0000258 ! exposure to steroid hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24261 ! has exposure stimulus glucocorticoid relationship: RO:0002309 CHEBI:24261 ! has exposure stimulus glucocorticoid [Term] id: ECTO:0000371 name: exposure to oxygen molecular entity def: "An exposure to oxygen molecular entity." [] synonym: "exposure to oxygen molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25806 ! has exposure stimulus oxygen molecular entity relationship: RO:0002309 CHEBI:25806 ! has exposure stimulus oxygen molecular entity [Term] id: ECTO:0000439 name: exposure to formaldehyde def: "An exposure to formaldehyde." [] synonym: "exposure to formaldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16842 ! has exposure stimulus formaldehyde relationship: RO:0002309 CHEBI:16842 ! has exposure stimulus formaldehyde [Term] id: ECTO:0000481 name: exposure to transition element def: "An exposure to transition element molecular entity." [] synonym: "exposure to transition element molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33497 ! has exposure stimulus transition element molecular entity relationship: RO:0002309 CHEBI:33497 ! has exposure stimulus transition element molecular entity [Term] id: ECTO:0000485 name: exposure to chemical with biological effect def: "An exposure to biological role." [] synonym: "exposure to biological role" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24432 ! has exposure stimulus biological role relationship: RO:0002309 CHEBI:24432 ! has exposure stimulus biological role [Term] id: ECTO:0000486 name: exposure to chemical with application def: "An exposure to application." [] synonym: "exposure to application" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33232 ! has exposure stimulus application relationship: RO:0002309 CHEBI:33232 ! has exposure stimulus application [Term] id: ECTO:0000487 name: exposure to chemical with chemical role def: "An exposure to chemical role." [] synonym: "exposure to chemical role" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51086 ! has exposure stimulus chemical role relationship: RO:0002309 CHEBI:51086 ! has exposure stimulus chemical role [Term] id: ECTO:0000496 name: exposure to alkylating agent def: "An exposure to alkylating agent." [] synonym: "exposure to alkylating agent" EXACT [] is_a: ECTO:0000523 ! exposure to mutagen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22333 ! has exposure stimulus alkylating agent relationship: RO:0002309 CHEBI:22333 ! has exposure stimulus alkylating agent [Term] id: ECTO:0000509 name: exposure to drug def: "An exposure to drug." [] synonym: "exposure to drug" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23888 ! has exposure stimulus drug relationship: RO:0002309 CHEBI:23888 ! has exposure stimulus drug [Term] id: ECTO:0000515 name: exposure to herbicide def: "An exposure to herbicide." [] synonym: "exposure to herbicide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24527 ! has exposure stimulus herbicide relationship: RO:0002309 CHEBI:24527 ! has exposure stimulus herbicide [Term] id: ECTO:0000516 name: exposure to hormone def: "An exposure to hormone." [] synonym: "exposure to hormone" EXACT [] is_a: ECTO:0000543 ! exposure to molecular messenger is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24621 ! has exposure stimulus hormone relationship: RO:0002309 CHEBI:24621 ! has exposure stimulus hormone [Term] id: ECTO:0000522 name: exposure to mitochondrial respiratory-chain inhibitor def: "An exposure to mitochondrial respiratory-chain inhibitor." [] synonym: "exposure to mitochondrial respiratory-chain inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25355 ! has exposure stimulus mitochondrial respiratory-chain inhibitor relationship: RO:0002309 CHEBI:25355 ! has exposure stimulus mitochondrial respiratory-chain inhibitor [Term] id: ECTO:0000523 name: exposure to mutagen def: "An exposure to mutagen." [] synonym: "exposure to mutagen" EXACT [] is_a: ECTO:0000724 ! exposure to genotoxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25435 ! has exposure stimulus mutagen relationship: RO:0002309 CHEBI:25435 ! has exposure stimulus mutagen [Term] id: ECTO:0000524 name: exposure to mycotoxin def: "An exposure to mycotoxin." [] synonym: "exposure to mycotoxin" EXACT [] is_a: ECTO:0000537 ! exposure to toxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25442 ! has exposure stimulus mycotoxin relationship: RO:0002309 CHEBI:25442 ! has exposure stimulus mycotoxin [Term] id: ECTO:0000526 name: exposure to neurotransmitter def: "An exposure to neurotransmitter." [] synonym: "exposure to neurotransmitter" EXACT [] is_a: ECTO:0000543 ! exposure to molecular messenger intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25512 ! has exposure stimulus neurotransmitter relationship: RO:0002309 CHEBI:25512 ! has exposure stimulus neurotransmitter [Term] id: ECTO:0000530 name: exposure to pesticide def: "An exposure to pesticide." [] synonym: "exposure to pesticide" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25944 ! has exposure stimulus pesticide relationship: RO:0002309 CHEBI:25944 ! has exposure stimulus pesticide [Term] id: ECTO:0000537 name: exposure to toxin def: "An exposure to toxin." [] synonym: "exposure to toxin" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27026 ! has exposure stimulus toxin relationship: RO:0002309 CHEBI:27026 ! has exposure stimulus toxin [Term] id: ECTO:0000543 name: exposure to molecular messenger def: "An exposure to molecular messenger." [] synonym: "exposure to molecular messenger" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33280 ! has exposure stimulus molecular messenger relationship: RO:0002309 CHEBI:33280 ! has exposure stimulus molecular messenger [Term] id: ECTO:0000544 name: exposure to antimicrobial agent def: "An exposure to antimicrobial agent." [] synonym: "exposure to antimicrobial agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33281 ! has exposure stimulus antimicrobial agent relationship: RO:0002309 CHEBI:33281 ! has exposure stimulus antimicrobial agent [Term] id: ECTO:0000557 name: exposure to inhibitor def: "An exposure to inhibitor." [] synonym: "exposure to inhibitor" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35222 ! has exposure stimulus inhibitor relationship: RO:0002309 CHEBI:35222 ! has exposure stimulus inhibitor [Term] id: ECTO:0000590 name: exposure to vasodilator agent def: "An exposure to vasodilator agent." [] synonym: "exposure to vasodilator agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35620 ! has exposure stimulus vasodilator agent relationship: RO:0002309 CHEBI:35620 ! has exposure stimulus vasodilator agent [Term] id: ECTO:0000637 name: exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor def: "An exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor." [] synonym: "exposure to EC 1.9.3.1 (cytochrome c oxidase) inhibitor" EXACT [] is_a: ECTO:0000522 ! exposure to mitochondrial respiratory-chain inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38500 ! has exposure stimulus EC 1.9.3.1 (cytochrome c oxidase) inhibitor relationship: RO:0002309 CHEBI:38500 ! has exposure stimulus EC 1.9.3.1 (cytochrome c oxidase) inhibitor [Term] id: ECTO:0000650 name: exposure to Bronsted acid def: "An exposure to Bronsted acid." [] synonym: "exposure to Bronsted acid" EXACT [] is_a: ECTO:9002146 ! exposure to acids intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39141 ! has exposure stimulus Bronsted acid relationship: RO:0002309 CHEBI:39141 ! has exposure stimulus Bronsted acid [Term] id: ECTO:0000657 name: exposure to disinfectant def: "An exposure to disinfectant." [] synonym: "exposure to disinfectant" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48219 ! has exposure stimulus disinfectant relationship: RO:0002309 CHEBI:48219 ! has exposure stimulus disinfectant [Term] id: ECTO:0000672 name: exposure to agonist def: "An exposure to agonist." [] synonym: "exposure to agonist" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48705 ! has exposure stimulus agonist relationship: RO:0002309 CHEBI:48705 ! has exposure stimulus agonist [Term] id: ECTO:0000689 name: exposure to P450 inhibitor def: "An exposure to P450 inhibitor." [] synonym: "exposure to P450 inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50183 ! has exposure stimulus P450 inhibitor relationship: RO:0002309 CHEBI:50183 ! has exposure stimulus P450 inhibitor [Term] id: ECTO:0000699 name: exposure to probe def: "An exposure to probe." [] synonym: "exposure to probe" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50406 ! has exposure stimulus probe relationship: RO:0002309 CHEBI:50406 ! has exposure stimulus probe [Term] id: ECTO:0000724 name: exposure to genotoxin def: "An exposure to genotoxin." [] synonym: "exposure to genotoxin" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50902 ! has exposure stimulus genotoxin relationship: RO:0002309 CHEBI:50902 ! has exposure stimulus genotoxin [Term] id: ECTO:0000725 name: exposure to carcinogenic agent def: "An exposure to carcinogenic agent." [] synonym: "exposure to carcinogenic agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50903 ! has exposure stimulus carcinogenic agent relationship: RO:0002309 CHEBI:50903 ! has exposure stimulus carcinogenic agent [Term] id: ECTO:0000726 name: exposure to allergen def: "An exposure to allergen." [] synonym: "exposure to allergen" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50904 ! has exposure stimulus allergen relationship: RO:0002309 CHEBI:50904 ! has exposure stimulus allergen [Term] id: ECTO:0000730 name: exposure to neurotoxin def: "An exposure to neurotoxin." [] synonym: "exposure to neurotoxin" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50910 ! has exposure stimulus neurotoxin relationship: RO:0002309 CHEBI:50910 ! has exposure stimulus neurotoxin [Term] id: ECTO:0000738 name: exposure to ligand def: "An exposure to ligand." [] synonym: "exposure to ligand" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52214 ! has exposure stimulus ligand relationship: RO:0002309 CHEBI:52214 ! has exposure stimulus ligand [Term] id: ECTO:0000750 name: exposure to biomarker def: "An exposure to biomarker." [] synonym: "exposure to biomarker" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59163 ! has exposure stimulus biomarker relationship: RO:0002309 CHEBI:59163 ! has exposure stimulus biomarker [Term] id: ECTO:0000776 name: exposure to signalling molecule def: "An exposure to signalling molecule." [] synonym: "exposure to signalling molecule" EXACT [] is_a: ECTO:0000543 ! exposure to molecular messenger intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62488 ! has exposure stimulus signalling molecule relationship: RO:0002309 CHEBI:62488 ! has exposure stimulus signalling molecule [Term] id: ECTO:0000922 name: exposure to EC 3.5.1.4 (amidase) inhibitor def: "An exposure to EC 3.5.1.4 (amidase) inhibitor." [] synonym: "exposure to EC 3.5.1.4 (amidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77941 ! has exposure stimulus EC 3.5.1.4 (amidase) inhibitor relationship: RO:0002309 CHEBI:77941 ! has exposure stimulus EC 3.5.1.4 (amidase) inhibitor [Term] id: ECTO:0000931 name: exposure to environmental contaminant def: "An exposure to environmental contaminant." [] synonym: "exposure to environmental contaminant" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78298 ! has exposure stimulus environmental contaminant relationship: RO:0002309 CHEBI:78298 ! has exposure stimulus environmental contaminant [Term] id: ECTO:0000979 name: exposure to temperature of environmental surroundings def: "A exposure event involving the interaction of an exposure receptor to temperature of environmental material." [] synonym: "temperature of environmental material exposure" EXACT [] is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:09200000 ! has exposure stimulus temperature of environmental material relationship: RO:0002309 ENVO:09200000 ! has exposure stimulus temperature of environmental material [Term] id: ECTO:0000980 name: exposure to temperature of air in surroundings def: "A exposure event involving the interaction of an exposure receptor to temperature of air." [] synonym: "temperature of air exposure" EXACT [] is_a: ECTO:0000979 ! exposure to temperature of environmental surroundings intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:09200001 ! has exposure stimulus temperature of air relationship: RO:0002309 ENVO:09200001 ! has exposure stimulus temperature of air [Term] id: ECTO:0001055 name: exposure to decreased air temperature def: "A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of air." [] synonym: "exposure to decreased amount in temperature of air" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:0001057 name: exposure to decreased temperature def: "A exposure event involving the interaction of an exposure receptor to decreased temperature." [] synonym: "decreased temperature exposure" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001306 ! has exposure stimulus decreased temperature relationship: RO:0002309 PATO:0001306 ! has exposure stimulus decreased temperature [Term] id: ECTO:0001082 name: exposure to alcohol consumption def: "An exposure event involving Alcohol Consumption" [] synonym: "Alcohol Consumption exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16273 ! has exposure stimulus Alcohol Consumption relationship: RO:0002309 NCIT:C16273 ! has exposure stimulus Alcohol Consumption [Term] id: ECTO:0001108 name: exposure to aflatoxin def: "An exposure to aflatoxin." [] synonym: "exposure to aflatoxin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22271 ! has exposure stimulus aflatoxin relationship: RO:0002309 CHEBI:22271 ! has exposure stimulus aflatoxin [Term] id: ECTO:0001152 name: exposure to organochlorine compound def: "An exposure to organochlorine compound." [] synonym: "exposure to organochlorine compound" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36683 ! has exposure stimulus organochlorine compound relationship: RO:0002309 CHEBI:36683 ! has exposure stimulus organochlorine compound [Term] id: ECTO:0001566 name: exposure to cadmium def: "An exposure to cadmium molecular entity." [] synonym: "exposure to cadmium molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22978 ! has exposure stimulus cadmium molecular entity relationship: RO:0002309 CHEBI:22978 ! has exposure stimulus cadmium molecular entity [Term] id: ECTO:0001571 name: exposure to mercury def: "An exposure to mercury molecular entity." [] synonym: "exposure to mercury molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25196 ! has exposure stimulus mercury molecular entity relationship: RO:0002309 CHEBI:25196 ! has exposure stimulus mercury molecular entity [Term] id: ECTO:0001591 name: exposure to occupation def: "An exposure event involving Occupation" [] synonym: "Occupation exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C25193 ! has exposure stimulus Occupation relationship: RO:0002309 NCIT:C25193 ! has exposure stimulus Occupation [Term] id: ECTO:0001659 name: exposure to chloroacetic acid def: "An exposure to chloroacetic acid." [] synonym: "exposure to chloroacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27869 ! has exposure stimulus chloroacetic acid relationship: RO:0002309 CHEBI:27869 ! has exposure stimulus chloroacetic acid [Term] id: ECTO:0002002 name: exposure to steroid def: "An exposure to steroid." [] synonym: "exposure to steroid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35341 ! has exposure stimulus steroid relationship: RO:0002309 CHEBI:35341 ! has exposure stimulus steroid [Term] id: ECTO:0010000 name: exposure to environmental quality def: "A exposure event involving the interaction of an exposure receptor to quality." [] synonym: "quality exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0000001 ! has exposure stimulus quality relationship: RO:0002309 PATO:0000001 ! has exposure stimulus quality [Term] id: ECTO:0010001 name: exposure to qualitative environmental quality def: "A exposure event involving the interaction of an exposure receptor to qualitative." [] synonym: "qualitative exposure" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0000068 ! has exposure stimulus qualitative relationship: RO:0002309 PATO:0000068 ! has exposure stimulus qualitative [Term] id: ECTO:0010002 name: exposure to environmental process quality def: "A exposure event involving the interaction of an exposure receptor to process quality." [] synonym: "process quality exposure" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001236 ! has exposure stimulus process quality relationship: RO:0002309 PATO:0001236 ! has exposure stimulus process quality [Term] id: ECTO:0010003 name: exposure to environmental physical object quality def: "A exposure event involving the interaction of an exposure receptor to physical object quality." [] synonym: "physical object quality exposure" EXACT [] is_a: ECTO:0010000 ! exposure to environmental quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001241 ! has exposure stimulus physical object quality relationship: RO:0002309 PATO:0001241 ! has exposure stimulus physical object quality [Term] id: ECTO:0020000 name: exposure to automotive occupations def: "An exposure event involving Automotive Occupations" [] synonym: "Automotive Occupations exposure" EXACT [] is_a: ECTO:0001591 ! exposure to occupation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C103933 ! has exposure stimulus Automotive Occupations relationship: RO:0002309 NCIT:C103933 ! has exposure stimulus Automotive Occupations [Term] id: ECTO:0030000 name: obsolete exposure to a diet is_obsolete: true [Term] id: ECTO:0030001 name: obsolete exposure to high vegetable diet is_obsolete: true [Term] id: ECTO:0070000 name: exposure to probiotic or bacteria supplement via ingestion def: "An exposure to probiotic or bacteria supplement via ingestion." [] synonym: "probiotic or bacteria supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03401308 ! has exposure stimulus probiotic or bacteria supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03401308 ! has exposure stimulus probiotic or bacteria supplement [Term] id: ECTO:0070001 name: exposure to skim milk via ingestion def: "An exposure to skim milk (pasteurized, vitamin A and D fortified) via ingestion." [] synonym: "skim milk (pasteurized, vitamin A and D fortified) exposure via ingestion" EXACT [] is_a: ECTO:0070204 ! exposure to cow milk (liquid) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311235 ! has exposure stimulus skim milk (pasteurized, vitamin A and D fortified) relationship: RO:0002309 FOODON:03311235 ! has exposure stimulus skim milk (pasteurized, vitamin A and D fortified) [Term] id: ECTO:0070002 name: exposure to lowfat milk via ingestion def: "An exposure to lowfat cow milk (1% fat) via ingestion." [] synonym: "lowfat cow milk (1% fat) exposure via ingestion" EXACT [] is_a: ECTO:0070204 ! exposure to cow milk (liquid) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002815 ! has exposure stimulus lowfat cow milk (1% fat) relationship: RO:0002309 FOODON:00002815 ! has exposure stimulus lowfat cow milk (1% fat) [Term] id: ECTO:0070003 name: exposure to whole milk via ingestion def: "An exposure to cow whole milk 3.5% fat via ingestion." [] synonym: "cow whole milk 3.5% fat exposure via ingestion" EXACT [] is_a: ECTO:0070204 ! exposure to cow milk (liquid) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310780 ! has exposure stimulus cow whole milk 3.5% fat relationship: RO:0002309 FOODON:03310780 ! has exposure stimulus cow whole milk 3.5% fat [Term] id: ECTO:0070004 name: exposure to almond milk via ingestion def: "An exposure to almond milk via ingestion." [] synonym: "almond milk exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003157 ! has exposure stimulus almond milk relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003157 ! has exposure stimulus almond milk [Term] id: ECTO:0070005 name: exposure to soybean milk via ingestion def: "An exposure to soybean milk via ingestion." [] synonym: "soybean milk exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305289 ! has exposure stimulus soybean milk relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03305289 ! has exposure stimulus soybean milk [Term] id: ECTO:0070006 name: exposure to milk beverage analog via ingestion def: "An exposure to milk beverage analog via ingestion." [] synonym: "milk beverage analog exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002034 ! has exposure stimulus milk beverage analog relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002034 ! has exposure stimulus milk beverage analog [Term] id: ECTO:0070007 name: exposure to heavy cream via ingestion def: "An exposure to heavy cream via ingestion." [] synonym: "heavy cream exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310795 ! has exposure stimulus heavy cream relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310795 ! has exposure stimulus heavy cream [Term] id: ECTO:0070008 name: exposure to imitation half and half via ingestion def: "An exposure to imitation half and half via ingestion." [] synonym: "imitation half and half exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03304468 ! has exposure stimulus imitation half and half relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03304468 ! has exposure stimulus imitation half and half [Term] id: ECTO:0070009 name: exposure to frozen yogurt via ingestion def: "An exposure to frozen yogurt via ingestion." [] synonym: "frozen yogurt exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03307445 ! has exposure stimulus frozen yogurt relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03307445 ! has exposure stimulus frozen yogurt [Term] id: ECTO:0070010 name: exposure to ice cream via ingestion def: "An exposure to ice cream food product via ingestion." [] synonym: "ice cream food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001045 ! has exposure stimulus ice cream food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001045 ! has exposure stimulus ice cream food product [Term] id: ECTO:0070011 name: exposure to butter via ingestion def: "An exposure to butter via ingestion." [] synonym: "butter exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310351 ! has exposure stimulus butter relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310351 ! has exposure stimulus butter [Term] id: ECTO:0070012 name: exposure to margarine via ingestion def: "An exposure to margarine via ingestion." [] synonym: "margarine exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301672 ! has exposure stimulus margarine relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301672 ! has exposure stimulus margarine [Term] id: ECTO:0070013 name: exposure to butter spread via ingestion def: "An exposure to butter blend spread via ingestion." [] synonym: "butter blend spread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303711 ! has exposure stimulus butter blend spread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303711 ! has exposure stimulus butter blend spread [Term] id: ECTO:0070014 name: exposure to non fat yogurt via ingestion def: "An exposure to yogurt (nonfat) via ingestion." [] synonym: "yogurt (nonfat) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305085 ! has exposure stimulus yogurt (nonfat) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03305085 ! has exposure stimulus yogurt (nonfat) [Term] id: ECTO:0070015 name: exposure to lowfat yogurt via ingestion def: "An exposure to yogurt (lowfat) via ingestion." [] synonym: "yogurt (lowfat) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03307444 ! has exposure stimulus yogurt (lowfat) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03307444 ! has exposure stimulus yogurt (lowfat) [Term] id: ECTO:0070016 name: exposure to regular yogurt via ingestion def: "An exposure to yogurt (plain) via ingestion." [] synonym: "yogurt (plain) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301502 ! has exposure stimulus yogurt (plain) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301502 ! has exposure stimulus yogurt (plain) [Term] id: ECTO:0070017 name: exposure to cottage cheese via ingestion def: "An exposure to cottage cheese (lowfat) via ingestion." [] synonym: "cottage cheese (lowfat) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303720 ! has exposure stimulus cottage cheese (lowfat) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303720 ! has exposure stimulus cottage cheese (lowfat) [Term] id: ECTO:0070018 name: exposure to cream cheese via ingestion def: "An exposure to cream cheese via ingestion." [] synonym: "cream cheese exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301889 ! has exposure stimulus cream cheese relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301889 ! has exposure stimulus cream cheese [Term] id: ECTO:0070020 name: exposure to lowfat cheese via ingestion def: "An exposure to cheese (lowfat) via ingestion." [] synonym: "cheese (lowfat) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303902 ! has exposure stimulus cheese (lowfat) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303902 ! has exposure stimulus cheese (lowfat) [Term] id: ECTO:0070021 name: exposure to cheese (natural) via ingestion def: "An exposure to cheese (natural) via ingestion." [] synonym: "cheese (natural) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303504 ! has exposure stimulus cheese (natural) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303504 ! has exposure stimulus cheese (natural) [Term] id: ECTO:0070022 name: exposure to apple via ingestion def: "An exposure to apple (whole) via ingestion." [] synonym: "apple (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002473 ! has exposure stimulus apple (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002473 ! has exposure stimulus apple (whole) [Term] id: ECTO:0070023 name: exposure to avocado via ingestion def: "An exposure to avocado (whole, raw) via ingestion." [] synonym: "avocado (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070182 ! exposure to stone fruit via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305236 ! has exposure stimulus avocado (whole, raw) relationship: RO:0002309 FOODON:03305236 ! has exposure stimulus avocado (whole, raw) [Term] id: ECTO:0070024 name: exposure to banana via ingestion def: "An exposure to banana (whole) via ingestion." [] synonym: "banana (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00004183 ! has exposure stimulus banana (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00004183 ! has exposure stimulus banana (whole) [Term] id: ECTO:0070025 name: exposure to blueberries via ingestion def: "An exposure to blueberry (whole, raw) via ingestion." [] synonym: "blueberry (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302045 ! has exposure stimulus blueberry (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302045 ! has exposure stimulus blueberry (whole, raw) [Term] id: ECTO:0070026 name: exposure to cantaloupe via ingestion def: "An exposure to cantaloupe (whole, raw) via ingestion." [] synonym: "cantaloupe (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302805 ! has exposure stimulus cantaloupe (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302805 ! has exposure stimulus cantaloupe (whole, raw) [Term] id: ECTO:0070027 name: exposure to grapes via ingestion def: "An exposure to grape (whole, raw) via ingestion." [] synonym: "grape (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301123 ! has exposure stimulus grape (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301123 ! has exposure stimulus grape (whole, raw) [Term] id: ECTO:0070028 name: exposure to grapefruit via ingestion def: "An exposure to grapefruit (whole, raw) via ingestion." [] synonym: "grapefruit (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301702 ! has exposure stimulus grapefruit (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301702 ! has exposure stimulus grapefruit (whole, raw) [Term] id: ECTO:0070029 name: exposure to navel orange via ingestion def: "An exposure to navel orange (whole, raw) via ingestion." [] synonym: "navel orange (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002511 ! has exposure stimulus navel orange (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002511 ! has exposure stimulus navel orange (whole, raw) [Term] id: ECTO:0070030 name: exposure to peach via ingestion def: "An exposure to peach (whole, raw) via ingestion." [] synonym: "peach (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070182 ! exposure to stone fruit via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301719 ! has exposure stimulus peach (whole, raw) relationship: RO:0002309 FOODON:03301719 ! has exposure stimulus peach (whole, raw) [Term] id: ECTO:0070031 name: exposure to plum via ingestion def: "An exposure to plum (whole, raw) via ingestion." [] synonym: "plum (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070182 ! exposure to stone fruit via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301580 ! has exposure stimulus plum (whole, raw) relationship: RO:0002309 FOODON:03301580 ! has exposure stimulus plum (whole, raw) [Term] id: ECTO:0070032 name: exposure to apricot via ingestion def: "An exposure to apricot (whole, raw) via ingestion." [] synonym: "apricot (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070182 ! exposure to stone fruit via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301701 ! has exposure stimulus apricot (whole, raw) relationship: RO:0002309 FOODON:03301701 ! has exposure stimulus apricot (whole, raw) [Term] id: ECTO:0070033 name: exposure to pear via ingestion def: "An exposure to pear (whole, raw) via ingestion." [] synonym: "pear (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301724 ! has exposure stimulus pear (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301724 ! has exposure stimulus pear (whole, raw) [Term] id: ECTO:0070034 name: exposure to raspberry via ingestion def: "An exposure to raspberry (whole, raw) via ingestion." [] synonym: "raspberry (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03307119 ! has exposure stimulus raspberry (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03307119 ! has exposure stimulus raspberry (whole, raw) [Term] id: ECTO:0070035 name: exposure to strawberry via ingestion def: "An exposure to strawberry (whole, raw) via ingestion." [] synonym: "strawberry (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301722 ! has exposure stimulus strawberry (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301722 ! has exposure stimulus strawberry (whole, raw) [Term] id: ECTO:0070036 name: exposure to tomato via ingestion def: "An exposure to tomato (whole) via ingestion." [] synonym: "tomato (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301453 ! has exposure stimulus tomato (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301453 ! has exposure stimulus tomato (whole) [Term] id: ECTO:0070037 name: exposure to tomato juice via ingestion def: "An exposure to tomato juice via ingestion." [] synonym: "tomato juice exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301454 ! has exposure stimulus tomato juice relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301454 ! has exposure stimulus tomato juice [Term] id: ECTO:0070038 name: exposure to tomato sauce via ingestion def: "An exposure to tomato sauce via ingestion." [] synonym: "tomato sauce exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301217 ! has exposure stimulus tomato sauce relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301217 ! has exposure stimulus tomato sauce [Term] id: ECTO:0070039 name: exposure to watermelon via ingestion def: "An exposure to watermelon (whole, raw) via ingestion." [] synonym: "watermelon (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301040 ! has exposure stimulus watermelon (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301040 ! has exposure stimulus watermelon (whole, raw) [Term] id: ECTO:0070040 name: exposure to bean via ingestion def: "An exposure to bean (whole) via ingestion." [] synonym: "bean (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002753 ! has exposure stimulus bean (whole) relationship: RO:0002309 FOODON:00002753 ! has exposure stimulus bean (whole) [Term] id: ECTO:0070041 name: exposure to lentil via ingestion def: "An exposure to lentil (whole) via ingestion." [] synonym: "lentil (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310641 ! has exposure stimulus lentil (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310641 ! has exposure stimulus lentil (whole) [Term] id: ECTO:0070042 name: exposure to bell pepper via ingestion def: "An exposure to bell pepper (whole) via ingestion." [] synonym: "bell pepper (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003546 ! has exposure stimulus bell pepper (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003546 ! has exposure stimulus bell pepper (whole) [Term] id: ECTO:0070043 name: exposure to broccoli via ingestion def: "An exposure to broccoli floret (whole, raw) via ingestion." [] synonym: "broccoli floret (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301713 ! has exposure stimulus broccoli floret (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301713 ! has exposure stimulus broccoli floret (whole, raw) [Term] id: ECTO:0070044 name: exposure to brussels sprout via ingestion def: "An exposure to brussels sprout (whole) via ingestion." [] synonym: "brussels sprout (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311885 ! has exposure stimulus brussels sprout (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311885 ! has exposure stimulus brussels sprout (whole) [Term] id: ECTO:0070045 name: exposure to cabbage via ingestion def: "An exposure to cabbage head via ingestion." [] synonym: "cabbage head exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003406 ! has exposure stimulus cabbage head relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003406 ! has exposure stimulus cabbage head [Term] id: ECTO:0070046 name: exposure to carrot via ingestion def: "An exposure to carrot root (whole) via ingestion." [] synonym: "carrot root (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003408 ! has exposure stimulus carrot root (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003408 ! has exposure stimulus carrot root (whole) [Term] id: ECTO:0070047 name: exposure to cauliflower via ingestion def: "An exposure to cauliflower floret (whole) via ingestion." [] synonym: "cauliflower floret (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003410 ! has exposure stimulus cauliflower floret (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003410 ! has exposure stimulus cauliflower floret (whole) [Term] id: ECTO:0070048 name: exposure to corn via ingestion def: "An exposure to corn kernel (whole) via ingestion." [] synonym: "corn kernel (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03317387 ! has exposure stimulus corn kernel (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03317387 ! has exposure stimulus corn kernel (whole) [Term] id: ECTO:0070049 name: exposure to eggplant via ingestion def: "An exposure to eggplant (whole) via ingestion." [] synonym: "eggplant (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003618 ! has exposure stimulus eggplant (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003618 ! has exposure stimulus eggplant (whole) [Term] id: ECTO:0070050 name: exposure to zucchini via ingestion def: "An exposure to zucchini squash (whole) via ingestion." [] synonym: "zucchini squash (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070051 ! exposure to squash via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310943 ! has exposure stimulus zucchini squash (whole) relationship: RO:0002309 FOODON:03310943 ! has exposure stimulus zucchini squash (whole) [Term] id: ECTO:0070051 name: exposure to squash via ingestion def: "An exposure to squash (whole) via ingestion." [] synonym: "squash (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003539 ! has exposure stimulus squash (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003539 ! has exposure stimulus squash (whole) [Term] id: ECTO:0070052 name: exposure to kale via ingestion def: "An exposure to kale leaf (whole, raw) via ingestion." [] synonym: "kale leaf (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070184 ! exposure to plant leaf vegetable food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03304859 ! has exposure stimulus kale leaf (whole, raw) relationship: RO:0002309 FOODON:03304859 ! has exposure stimulus kale leaf (whole, raw) [Term] id: ECTO:0070053 name: exposure to collard greens via ingestion def: "An exposure to collard leaf (whole, raw) via ingestion." [] synonym: "collard leaf (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03304860 ! has exposure stimulus collard leaf (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03304860 ! has exposure stimulus collard leaf (whole, raw) [Term] id: ECTO:0070054 name: exposure to mustard greens via ingestion def: "An exposure to mustard greens via ingestion." [] synonym: "mustard greens exposure via ingestion" EXACT [] is_a: ECTO:0070184 ! exposure to plant leaf vegetable food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002684 ! has exposure stimulus mustard greens relationship: RO:0002309 FOODON:00002684 ! has exposure stimulus mustard greens [Term] id: ECTO:0070055 name: exposure to swiss chard via ingestion def: "An exposure to swiss chard leaf (whole) via ingestion." [] synonym: "swiss chard leaf (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070184 ! exposure to plant leaf vegetable food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003631 ! has exposure stimulus swiss chard leaf (whole) relationship: RO:0002309 FOODON:00003631 ! has exposure stimulus swiss chard leaf (whole) [Term] id: ECTO:0070056 name: exposure to onion via ingestion def: "An exposure to onion (whole, raw) via ingestion." [] synonym: "onion (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301704 ! has exposure stimulus onion (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301704 ! has exposure stimulus onion (whole, raw) [Term] id: ECTO:0070057 name: exposure to peas via ingestion def: "An exposure to pea (whole) via ingestion." [] synonym: "pea (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301300 ! has exposure stimulus pea (whole) relationship: RO:0002309 FOODON:03301300 ! has exposure stimulus pea (whole) [Term] id: ECTO:0070058 name: exposure to lima bean via ingestion def: "An exposure to baby lima bean (whole) via ingestion." [] synonym: "baby lima bean (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070040 ! exposure to bean via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302061 ! has exposure stimulus baby lima bean (whole) relationship: RO:0002309 FOODON:03302061 ! has exposure stimulus baby lima bean (whole) [Term] id: ECTO:0070059 name: exposure to spinach leaf (whole) via ingestion def: "An exposure to spinach leaf (whole) via ingestion." [] synonym: "spinach leaf (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070184 ! exposure to plant leaf vegetable food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003495 ! has exposure stimulus spinach leaf (whole) relationship: RO:0002309 FOODON:00003495 ! has exposure stimulus spinach leaf (whole) [Term] id: ECTO:0070060 name: exposure to spinach leaf (whole, raw) via ingestion def: "An exposure to spinach leaf (whole, raw) via ingestion." [] synonym: "spinach leaf (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070059 ! exposure to spinach leaf (whole) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301716 ! has exposure stimulus spinach leaf (whole, raw) relationship: RO:0002309 FOODON:03301716 ! has exposure stimulus spinach leaf (whole, raw) [Term] id: ECTO:0070061 name: exposure to saccharin via ingestion def: "An exposure to saccharin via ingestion." [] synonym: "saccharin exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000597 ! exposure to saccharin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:32111 ! has exposure stimulus saccharin [Term] id: ECTO:0070062 name: exposure to green bean via ingestion def: "An exposure to green bean pod (whole) via ingestion." [] synonym: "green bean pod (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305806 ! has exposure stimulus green bean pod (whole) relationship: RO:0002309 FOODON:03305806 ! has exposure stimulus green bean pod (whole) [Term] id: ECTO:0070063 name: exposure to tofu via ingestion def: "An exposure to tofu food product via ingestion." [] synonym: "tofu food product exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309664 ! has exposure stimulus tofu food product relationship: RO:0002309 FOODON:03309664 ! has exposure stimulus tofu food product [Term] id: ECTO:0070064 name: exposure to vegetarian burger via ingestion def: "An exposure to vegetarian burger via ingestion." [] synonym: "vegetarian burger exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003177 ! has exposure stimulus vegetarian burger relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003177 ! has exposure stimulus vegetarian burger [Term] id: ECTO:0070065 name: exposure to miso via ingestion def: "An exposure to miso via ingestion." [] synonym: "miso exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003208 ! has exposure stimulus miso relationship: RO:0002309 FOODON:00003208 ! has exposure stimulus miso [Term] id: ECTO:0070066 name: exposure to soybean via ingestion def: "An exposure to soybean (whole) via ingestion." [] synonym: "soybean (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070040 ! exposure to bean via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301415 ! has exposure stimulus soybean (whole) relationship: RO:0002309 FOODON:03301415 ! has exposure stimulus soybean (whole) [Term] id: ECTO:0070067 name: exposure to winter squash via ingestion def: "An exposure to squash (whole, raw) via ingestion." [] synonym: "squash (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070051 ! exposure to squash via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301577 ! has exposure stimulus squash (whole, raw) relationship: RO:0002309 FOODON:03301577 ! has exposure stimulus squash (whole, raw) [Term] id: ECTO:0070068 name: exposure to yam via ingestion def: "An exposure to yam (whole) via ingestion." [] synonym: "yam (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003448 ! has exposure stimulus yam (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003448 ! has exposure stimulus yam (whole) [Term] id: ECTO:0070069 name: exposure to sweet potato via ingestion def: "An exposure to sweet potato (whole) via ingestion." [] synonym: "sweet potato (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003445 ! has exposure stimulus sweet potato (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003445 ! has exposure stimulus sweet potato (whole) [Term] id: ECTO:0070070 name: exposure to egg via ingestion def: "An exposure to hen egg (whole) via ingestion." [] synonym: "hen egg (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03316061 ! has exposure stimulus hen egg (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03316061 ! has exposure stimulus hen egg (whole) [Term] id: ECTO:0070071 name: exposure to hotdog via ingestion def: "An exposure to hot dog via ingestion." [] synonym: "hot dog exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001009 ! has exposure stimulus hot dog relationship: RO:0002309 FOODON:00001009 ! has exposure stimulus hot dog [Term] id: ECTO:0070072 name: exposure to pork sausage via ingestion def: "An exposure to pork sausage (oven-cooked) via ingestion." [] synonym: "pork sausage (oven-cooked) exposure via ingestion" EXACT [] is_a: ECTO:0070078 ! exposure to luncheon meat via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311131 ! has exposure stimulus pork sausage (oven-cooked) relationship: RO:0002309 FOODON:03311131 ! has exposure stimulus pork sausage (oven-cooked) [Term] id: ECTO:0070073 name: exposure to chicken frankfurter via ingestion def: "An exposure to chicken frankfurter via ingestion." [] synonym: "chicken frankfurter exposure via ingestion" EXACT [] is_a: ECTO:0070071 ! exposure to hotdog via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310576 ! has exposure stimulus chicken frankfurter relationship: RO:0002309 FOODON:03310576 ! has exposure stimulus chicken frankfurter [Term] id: ECTO:0070074 name: exposure to turkey sausage via ingestion def: "An exposure to turkey sausage via ingestion." [] synonym: "turkey sausage exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003297 ! has exposure stimulus turkey sausage relationship: RO:0002309 FOODON:00003297 ! has exposure stimulus turkey sausage [Term] id: ECTO:0070075 name: exposure to poultry via ingestion def: "An exposure to poultry (cooked) via ingestion." [] synonym: "poultry (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03317344 ! has exposure stimulus poultry (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03317344 ! has exposure stimulus poultry (cooked) [Term] id: ECTO:0070076 name: exposure to bacon (fried) via ingestion def: "An exposure to bacon (fried) via ingestion." [] synonym: "bacon (fried) exposure via ingestion" EXACT [] is_a: ECTO:0070185 ! exposure to bacon (whole cut or parts) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310564 ! has exposure stimulus bacon (fried) relationship: RO:0002309 FOODON:03310564 ! has exposure stimulus bacon (fried) [Term] id: ECTO:0070077 name: exposure to bacon (baked) via ingestion def: "An exposure to bacon (baked) via ingestion." [] synonym: "bacon (baked) exposure via ingestion" EXACT [] is_a: ECTO:0070185 ! exposure to bacon (whole cut or parts) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311588 ! has exposure stimulus bacon (baked) relationship: RO:0002309 FOODON:03311588 ! has exposure stimulus bacon (baked) [Term] id: ECTO:0070078 name: exposure to luncheon meat via ingestion def: "An exposure to luncheon meat via ingestion." [] synonym: "luncheon meat exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310675 ! has exposure stimulus luncheon meat relationship: RO:0002309 FOODON:03310675 ! has exposure stimulus luncheon meat [Term] id: ECTO:0070079 name: exposure to salami via ingestion def: "An exposure to salami via ingestion." [] synonym: "salami exposure via ingestion" EXACT [] is_a: ECTO:0070078 ! exposure to luncheon meat via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03312067 ! has exposure stimulus salami relationship: RO:0002309 FOODON:03312067 ! has exposure stimulus salami [Term] id: ECTO:0070080 name: exposure to bologna via ingestion def: "An exposure to bologna via ingestion." [] synonym: "bologna exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03306503 ! has exposure stimulus bologna relationship: RO:0002309 FOODON:03306503 ! has exposure stimulus bologna [Term] id: ECTO:0070081 name: exposure to beef sausage via ingestion def: "An exposure to beef sausage via ingestion." [] synonym: "beef sausage exposure via ingestion" EXACT [] is_a: ECTO:0070078 ! exposure to luncheon meat via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002958 ! has exposure stimulus beef sausage relationship: RO:0002309 FOODON:00002958 ! has exposure stimulus beef sausage [Term] id: ECTO:0070082 name: exposure to kielbasa via ingestion def: "An exposure to Kielbasa via ingestion." [] synonym: "Kielbasa exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002728 ! has exposure stimulus Kielbasa relationship: RO:0002309 FOODON:00002728 ! has exposure stimulus Kielbasa [Term] id: ECTO:0070083 name: exposure to meat (processed) via ingestion def: "An exposure to meat (processed) via ingestion." [] synonym: "meat (processed) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310826 ! has exposure stimulus meat (processed) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310826 ! has exposure stimulus meat (processed) [Term] id: ECTO:0070084 name: exposure to processed meat food product via ingestion def: "An exposure to processed meat food product via ingestion." [] synonym: "processed meat food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001010 ! has exposure stimulus processed meat food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001010 ! has exposure stimulus processed meat food product [Term] id: ECTO:0070085 name: exposure to ground beef via ingestion def: "An exposure to ground beef (cooked) via ingestion." [] synonym: "ground beef (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310753 ! has exposure stimulus ground beef (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310753 ! has exposure stimulus ground beef (cooked) [Term] id: ECTO:0070086 name: exposure to beef hamburger (dish) via ingestion def: "An exposure to beef hamburger (dish) via ingestion." [] synonym: "beef hamburger (dish) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002737 ! has exposure stimulus beef hamburger (dish) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002737 ! has exposure stimulus beef hamburger (dish) [Term] id: ECTO:0070087 name: exposure to beef (cooked) via ingestion def: "An exposure to beef (cooked) via ingestion." [] synonym: "beef (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309738 ! has exposure stimulus beef (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03309738 ! has exposure stimulus beef (cooked) [Term] id: ECTO:0070088 name: exposure to pork via ingestion def: "An exposure to pork (cooked) via ingestion." [] synonym: "pork (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311610 ! has exposure stimulus pork (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311610 ! has exposure stimulus pork (cooked) [Term] id: ECTO:0070089 name: exposure to lamb via ingestion def: "An exposure to lamb (roasted) via ingestion." [] synonym: "lamb (roasted) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311664 ! has exposure stimulus lamb (roasted) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311664 ! has exposure stimulus lamb (roasted) [Term] id: ECTO:0070090 name: exposure to ham (sliced, cooked) via ingestion def: "An exposure to ham (sliced, cooked) via ingestion." [] synonym: "ham (sliced, cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311694 ! has exposure stimulus ham (sliced, cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311694 ! has exposure stimulus ham (sliced, cooked) [Term] id: ECTO:0070091 name: exposure to canned tuna via ingestion def: "An exposure to tuna (white, solid pack, canned in water) via ingestion." [] synonym: "tuna (white, solid pack, canned in water) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309003 ! has exposure stimulus tuna (white, solid pack, canned in water) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03309003 ! has exposure stimulus tuna (white, solid pack, canned in water) [Term] id: ECTO:0070092 name: exposure to shrimp via ingestion def: "An exposure to shrimp via ingestion." [] synonym: "shrimp exposure via ingestion" EXACT [] is_a: ECTO:0070188 ! exposure to shellfish via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411237 ! has exposure stimulus shrimp relationship: RO:0002309 FOODON:03411237 ! has exposure stimulus shrimp [Term] id: ECTO:0070093 name: exposure to lobster via ingestion def: "An exposure to lobster (whole) via ingestion." [] synonym: "lobster (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002468 ! has exposure stimulus lobster (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002468 ! has exposure stimulus lobster (whole) [Term] id: ECTO:0070094 name: exposure to scallops via ingestion def: "An exposure to scallop via ingestion." [] synonym: "scallop exposure via ingestion" EXACT [] is_a: ECTO:0070188 ! exposure to shellfish via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411489 ! has exposure stimulus scallop relationship: RO:0002309 FOODON:03411489 ! has exposure stimulus scallop [Term] id: ECTO:0070095 name: exposure to tuna steak via ingestion def: "An exposure to tuna steak via ingestion." [] synonym: "tuna steak exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002987 ! has exposure stimulus tuna steak relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002987 ! has exposure stimulus tuna steak [Term] id: ECTO:0070096 name: exposure to mackerel via ingestion def: "An exposure to mackerel via ingestion." [] synonym: "mackerel exposure via ingestion" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411043 ! has exposure stimulus mackerel relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03411043 ! has exposure stimulus mackerel [Term] id: ECTO:0070097 name: exposure to salmon via ingestion def: "An exposure to salmon via ingestion." [] synonym: "salmon exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003473 ! has exposure stimulus salmon relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003473 ! has exposure stimulus salmon [Term] id: ECTO:0070098 name: exposure to sardine via ingestion def: "An exposure to sardine via ingestion." [] synonym: "sardine exposure via ingestion" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411558 ! has exposure stimulus sardine relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03411558 ! has exposure stimulus sardine [Term] id: ECTO:0070099 name: exposure to bluefish via ingestion def: "An exposure to bluefish food product via ingestion." [] synonym: "bluefish food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001659 ! has exposure stimulus bluefish food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001659 ! has exposure stimulus bluefish food product [Term] id: ECTO:0070100 name: exposure to swordfish via ingestion def: "An exposure to swordfish food product via ingestion." [] synonym: "swordfish food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002307 ! has exposure stimulus swordfish food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002307 ! has exposure stimulus swordfish food product [Term] id: ECTO:0070101 name: exposure to cod via ingestion def: "An exposure to cod via ingestion." [] synonym: "cod exposure via ingestion" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411423 ! has exposure stimulus cod relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03411423 ! has exposure stimulus cod [Term] id: ECTO:0070102 name: exposure to haddock (raw) via ingestion def: "An exposure to haddock (raw) via ingestion." [] synonym: "haddock (raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03308024 ! has exposure stimulus haddock (raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03308024 ! has exposure stimulus haddock (raw) [Term] id: ECTO:0070103 name: exposure to halibut via ingestion def: "An exposure to halibut via ingestion." [] synonym: "halibut exposure via ingestion" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411532 ! has exposure stimulus halibut relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03411532 ! has exposure stimulus halibut [Term] id: ECTO:0070104 name: exposure to cold cereal via ingestion def: "An exposure to cereal (dry) via ingestion." [] synonym: "cereal (dry) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03316213 ! has exposure stimulus cereal (dry) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03316213 ! has exposure stimulus cereal (dry) [Term] id: ECTO:0070105 name: exposure to cooked oatmeal via ingestion def: "An exposure to oatmeal (cooked) via ingestion." [] synonym: "oatmeal (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310806 ! has exposure stimulus oatmeal (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310806 ! has exposure stimulus oatmeal (cooked) [Term] id: ECTO:0070106 name: exposure to cooked oat bran via ingestion def: "An exposure to oat bran via ingestion." [] synonym: "oat bran exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003774 ! has exposure stimulus oat bran relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003774 ! has exposure stimulus oat bran [Term] id: ECTO:0070107 name: exposure to cooked breakfast cereal via ingestion def: "An exposure to breakfast cereal (cooked) via ingestion." [] synonym: "breakfast cereal (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311540 ! has exposure stimulus breakfast cereal (cooked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311540 ! has exposure stimulus breakfast cereal (cooked) [Term] id: ECTO:0070108 name: exposure to whole wheat crackers via ingestion def: "An exposure to whole wheat cracker via ingestion." [] synonym: "whole wheat cracker exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302651 ! has exposure stimulus whole wheat cracker relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302651 ! has exposure stimulus whole wheat cracker [Term] id: ECTO:0070109 name: exposure to crackers via ingestion def: "An exposure to cracker via ingestion." [] synonym: "cracker exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002711 ! has exposure stimulus cracker relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002711 ! has exposure stimulus cracker [Term] id: ECTO:0070110 name: exposure to white bread via ingestion def: "An exposure to white bread via ingestion." [] synonym: "white bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301055 ! has exposure stimulus white bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301055 ! has exposure stimulus white bread [Term] id: ECTO:0070111 name: exposure to pita bread via ingestion def: "An exposure to pita bread via ingestion." [] synonym: "pita bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003060 ! has exposure stimulus pita bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003060 ! has exposure stimulus pita bread [Term] id: ECTO:0070112 name: exposure to rye bread via ingestion def: "An exposure to rye bread (enriched) via ingestion." [] synonym: "rye bread (enriched) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305210 ! has exposure stimulus rye bread (enriched) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03305210 ! has exposure stimulus rye bread (enriched) [Term] id: ECTO:0070113 name: exposure to pumpernickel bread via ingestion def: "An exposure to pumpernickel bread via ingestion." [] synonym: "pumpernickel bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302357 ! has exposure stimulus pumpernickel bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302357 ! has exposure stimulus pumpernickel bread [Term] id: ECTO:0070114 name: exposure to whole wheat bread via ingestion def: "An exposure to whole wheat bread via ingestion." [] synonym: "whole wheat bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301119 ! has exposure stimulus whole wheat bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301119 ! has exposure stimulus whole wheat bread [Term] id: ECTO:0070115 name: exposure to multigrain bread via ingestion def: "An exposure to multigrain bread via ingestion." [] synonym: "multigrain bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302478 ! has exposure stimulus multigrain bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302478 ! has exposure stimulus multigrain bread [Term] id: ECTO:0070116 name: exposure to bagel via ingestion def: "An exposure to bagel via ingestion." [] synonym: "bagel exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309554 ! has exposure stimulus bagel relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03309554 ! has exposure stimulus bagel [Term] id: ECTO:0070117 name: exposure to english muffin via ingestion def: "An exposure to english muffin via ingestion." [] synonym: "english muffin exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305833 ! has exposure stimulus english muffin relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03305833 ! has exposure stimulus english muffin [Term] id: ECTO:0070118 name: exposure to bread roll via ingestion def: "An exposure to wheat roll or bun via ingestion." [] synonym: "wheat roll or bun exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301931 ! has exposure stimulus wheat roll or bun relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301931 ! has exposure stimulus wheat roll or bun [Term] id: ECTO:0070119 name: exposure to muffin via ingestion def: "An exposure to muffin via ingestion." [] synonym: "muffin exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309530 ! has exposure stimulus muffin relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03309530 ! has exposure stimulus muffin [Term] id: ECTO:0070120 name: exposure to biscuit via ingestion def: "An exposure to biscuit (quick bread) via ingestion." [] synonym: "biscuit (quick bread) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301884 ! has exposure stimulus biscuit (quick bread) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301884 ! has exposure stimulus biscuit (quick bread) [Term] id: ECTO:0070121 name: exposure to pancake via ingestion def: "An exposure to pancake via ingestion." [] synonym: "pancake exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315258 ! has exposure stimulus pancake relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315258 ! has exposure stimulus pancake [Term] id: ECTO:0070122 name: exposure to waffle via ingestion def: "An exposure to waffle via ingestion." [] synonym: "waffle exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315259 ! has exposure stimulus waffle relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315259 ! has exposure stimulus waffle [Term] id: ECTO:0070123 name: exposure to brown rice via ingestion def: "An exposure to brown rice via ingestion." [] synonym: "brown rice exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003436 ! has exposure stimulus brown rice relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003436 ! has exposure stimulus brown rice [Term] id: ECTO:0070124 name: exposure to white rice via ingestion def: "An exposure to white rice (whole) via ingestion." [] synonym: "white rice (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003787 ! has exposure stimulus white rice (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003787 ! has exposure stimulus white rice (whole) [Term] id: ECTO:0070125 name: exposure to pasta via ingestion def: "An exposure to pasta via ingestion." [] synonym: "pasta exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03306347 ! has exposure stimulus pasta relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03306347 ! has exposure stimulus pasta [Term] id: ECTO:0070126 name: exposure to spaghetti noodle via ingestion def: "An exposure to spaghetti macaroni (enriched) via ingestion." [] synonym: "spaghetti macaroni (enriched) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03304262 ! has exposure stimulus spaghetti macaroni (enriched) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03304262 ! has exposure stimulus spaghetti macaroni (enriched) [Term] id: ECTO:0070127 name: exposure to couscous via ingestion def: "An exposure to couscous (whole, dried) via ingestion." [] synonym: "couscous (whole, dried) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303207 ! has exposure stimulus couscous (whole, dried) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303207 ! has exposure stimulus couscous (whole, dried) [Term] id: ECTO:0070128 name: exposure to tortilla via ingestion def: "An exposure to tortilla via ingestion." [] synonym: "tortilla exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03307668 ! has exposure stimulus tortilla relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03307668 ! has exposure stimulus tortilla [Term] id: ECTO:0070129 name: exposure to french fries via ingestion def: "An exposure to potato (french-fried) via ingestion." [] synonym: "potato (french-fried) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301959 ! has exposure stimulus potato (french-fried) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301959 ! has exposure stimulus potato (french-fried) [Term] id: ECTO:0070130 name: exposure to potato via ingestion def: "An exposure to potato (whole) via ingestion." [] synonym: "potato (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315354 ! has exposure stimulus potato (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315354 ! has exposure stimulus potato (whole) [Term] id: ECTO:0070131 name: exposure to pizza via ingestion def: "An exposure to pizza food product via ingestion." [] synonym: "pizza food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310775 ! has exposure stimulus pizza food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310775 ! has exposure stimulus pizza food product [Term] id: ECTO:0070132 name: exposure to tea (decaffeinated) via ingestion def: "An exposure to tea (decaffeinated) via ingestion." [] synonym: "tea (decaffeinated) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03312068 ! has exposure stimulus tea (decaffeinated) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03312068 ! has exposure stimulus tea (decaffeinated) [Term] id: ECTO:0070133 name: exposure to tea (steeped) via ingestion def: "An exposure to tea (steeped) via ingestion." [] synonym: "tea (steeped) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310546 ! has exposure stimulus tea (steeped) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310546 ! has exposure stimulus tea (steeped) [Term] id: ECTO:0070134 name: exposure to coffee (liquid beverage) via ingestion def: "An exposure to coffee (liquid drink) via ingestion." [] synonym: "coffee (liquid drink) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301036 ! has exposure stimulus coffee (liquid drink) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301036 ! has exposure stimulus coffee (liquid drink) [Term] id: ECTO:0070135 name: exposure to water via ingestion def: "An exposure to spring water via ingestion." [] synonym: "spring water exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03307813 ! has exposure stimulus spring water relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03307813 ! has exposure stimulus spring water [Term] id: ECTO:0070136 name: exposure to sparkling water via ingestion def: "An exposure to soda water via ingestion." [] synonym: "soda water exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302269 ! has exposure stimulus soda water relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302269 ! has exposure stimulus soda water [Term] id: ECTO:0070137 name: exposure to milk chocolate via ingestion def: "An exposure to milk chocolate via ingestion." [] synonym: "milk chocolate exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302806 ! has exposure stimulus milk chocolate relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302806 ! has exposure stimulus milk chocolate [Term] id: ECTO:0070138 name: exposure to dark chocolate via ingestion def: "An exposure to dark chocolate via ingestion." [] synonym: "dark chocolate exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303588 ! has exposure stimulus dark chocolate relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303588 ! has exposure stimulus dark chocolate [Term] id: ECTO:0070139 name: exposure to candy via ingestion def: "An exposure to candy via ingestion." [] synonym: "candy exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301051 ! has exposure stimulus candy relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301051 ! has exposure stimulus candy [Term] id: ECTO:0070140 name: exposure to cookie via ingestion def: "An exposure to cookie via ingestion." [] synonym: "cookie exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301585 ! has exposure stimulus cookie relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301585 ! has exposure stimulus cookie [Term] id: ECTO:0070141 name: exposure to brownie via ingestion def: "An exposure to chocolate brownie via ingestion." [] synonym: "chocolate brownie exposure via ingestion" EXACT [] is_a: ECTO:0070144 ! exposure to cake via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002562 ! has exposure stimulus chocolate brownie relationship: RO:0002309 FOODON:00002562 ! has exposure stimulus chocolate brownie [Term] id: ECTO:0070142 name: exposure to doughnut via ingestion def: "An exposure to doughnut via ingestion." [] synonym: "doughnut exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301938 ! has exposure stimulus doughnut relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301938 ! has exposure stimulus doughnut [Term] id: ECTO:0070143 name: exposure to pastry via ingestion def: "An exposure to pastry via ingestion." [] synonym: "pastry exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315272 ! has exposure stimulus pastry relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315272 ! has exposure stimulus pastry [Term] id: ECTO:0070144 name: exposure to cake via ingestion def: "An exposure to cake food product via ingestion." [] synonym: "cake food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001278 ! has exposure stimulus cake food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001278 ! has exposure stimulus cake food product [Term] id: ECTO:0070145 name: exposure to pie via ingestion def: "An exposure to pie (baked) via ingestion." [] synonym: "pie (baked) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03317288 ! has exposure stimulus pie (baked) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03317288 ! has exposure stimulus pie (baked) [Term] id: ECTO:0070146 name: exposure to jam via ingestion def: "An exposure to jam via ingestion." [] synonym: "jam exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03309973 ! has exposure stimulus jam relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03309973 ! has exposure stimulus jam [Term] id: ECTO:0070147 name: exposure to jelly via ingestion def: "An exposure to fruit jelly food product via ingestion." [] synonym: "fruit jelly food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001888 ! has exposure stimulus fruit jelly food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001888 ! has exposure stimulus fruit jelly food product [Term] id: ECTO:0070148 name: exposure to preserve via ingestion def: "An exposure to fruit preserves via ingestion." [] synonym: "fruit preserves exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03305304 ! has exposure stimulus fruit preserves relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03305304 ! has exposure stimulus fruit preserves [Term] id: ECTO:0070149 name: exposure to honey via ingestion def: "An exposure to honey food product via ingestion." [] synonym: "honey food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001178 ! has exposure stimulus honey food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001178 ! has exposure stimulus honey food product [Term] id: ECTO:0070150 name: exposure to syrup via ingestion def: "An exposure to syrup via ingestion." [] synonym: "syrup exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303225 ! has exposure stimulus syrup relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303225 ! has exposure stimulus syrup [Term] id: ECTO:0070151 name: exposure to peanut butter via ingestion def: "An exposure to peanut butter via ingestion." [] synonym: "peanut butter exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03306867 ! has exposure stimulus peanut butter relationship: RO:0002309 FOODON:03306867 ! has exposure stimulus peanut butter [Term] id: ECTO:0070152 name: exposure to potato chips via ingestion def: "An exposure to potato chip via ingestion." [] synonym: "potato chip exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301833 ! has exposure stimulus potato chip relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301833 ! has exposure stimulus potato chip [Term] id: ECTO:0070153 name: exposure to pretzels via ingestion def: "An exposure to pretzel via ingestion." [] synonym: "pretzel exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303929 ! has exposure stimulus pretzel relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303929 ! has exposure stimulus pretzel [Term] id: ECTO:0070154 name: exposure to peanut via ingestion def: "An exposure to peanut (whole) via ingestion." [] synonym: "peanut (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070183 ! exposure to legume food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003206 ! has exposure stimulus peanut (whole) relationship: RO:0002309 FOODON:00003206 ! has exposure stimulus peanut (whole) [Term] id: ECTO:0070155 name: exposure to walnuts via ingestion def: "An exposure to walnut (whole, raw) via ingestion." [] synonym: "walnut (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315233 ! has exposure stimulus walnut (whole, raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315233 ! has exposure stimulus walnut (whole, raw) [Term] id: ECTO:0070156 name: exposure to nuts via ingestion def: "An exposure to nut (whole or parts) via ingestion." [] synonym: "nut (whole or parts) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03306632 ! has exposure stimulus nut (whole or parts) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03306632 ! has exposure stimulus nut (whole or parts) [Term] id: ECTO:0070157 name: exposure to olive oil (extra virgin) via ingestion def: "An exposure to olive oil (extra-virgin) via ingestion." [] synonym: "olive oil (extra-virgin) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002808 ! has exposure stimulus olive oil (extra-virgin) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002808 ! has exposure stimulus olive oil (extra-virgin) [Term] id: ECTO:0070158 name: exposure to mayonnaise via ingestion def: "An exposure to mayonnaise via ingestion." [] synonym: "mayonnaise exposure via ingestion" EXACT [] is_a: ECTO:0070159 ! exposure to salad dressing via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301440 ! has exposure stimulus mayonnaise relationship: RO:0002309 FOODON:03301440 ! has exposure stimulus mayonnaise [Term] id: ECTO:0070159 name: exposure to salad dressing via ingestion def: "An exposure to salad dressing via ingestion." [] synonym: "salad dressing exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001290 ! has exposure stimulus salad dressing relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001290 ! has exposure stimulus salad dressing [Term] id: ECTO:0070160 name: exposure to aspartame via ingestion def: "An exposure to aspartame via ingestion." [] synonym: "aspartame exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000578 ! exposure to aspartame intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:2877 ! has exposure stimulus aspartame [Term] id: ECTO:0070161 name: exposure to sugar (granulated) via ingestion def: "An exposure to sugar (granulated) via ingestion." [] synonym: "sugar (granulated) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301073 ! has exposure stimulus sugar (granulated) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301073 ! has exposure stimulus sugar (granulated) [Term] id: ECTO:0070162 name: exposure to black cohosh supplement via ingestion def: "An exposure to black cohosh supplement via ingestion." [] synonym: "black cohosh supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600000 ! has exposure stimulus black cohosh supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600000 ! has exposure stimulus black cohosh supplement [Term] id: ECTO:0070163 name: exposure to coenzyme Q10 supplement via ingestion def: "An exposure to coenzyme Q10 supplement via ingestion." [] synonym: "coenzyme Q10 supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600001 ! has exposure stimulus coenzyme Q10 supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600001 ! has exposure stimulus coenzyme Q10 supplement [Term] id: ECTO:0070164 name: exposure to fish oil supplement via ingestion def: "An exposure to fish oil supplement via ingestion." [] synonym: "fish oil supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600002 ! has exposure stimulus fish oil supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600002 ! has exposure stimulus fish oil supplement [Term] id: ECTO:0070165 name: exposure to flaxseed oil supplement via ingestion def: "An exposure to flaxseed oil supplement via ingestion." [] synonym: "flaxseed oil supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600003 ! has exposure stimulus flaxseed oil supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600003 ! has exposure stimulus flaxseed oil supplement [Term] id: ECTO:0070166 name: exposure to ginkgo biloba supplement via ingestion def: "An exposure to ginkgo biloba supplement via ingestion." [] synonym: "ginkgo biloba supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600004 ! has exposure stimulus ginkgo biloba supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600004 ! has exposure stimulus ginkgo biloba supplement [Term] id: ECTO:0070167 name: exposure to ginseng supplement via ingestion def: "An exposure to ginseng supplement via ingestion." [] synonym: "ginseng supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600005 ! has exposure stimulus ginseng supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600005 ! has exposure stimulus ginseng supplement [Term] id: ECTO:0070168 name: exposure to glucosamine supplement via ingestion def: "An exposure to glucosamine supplement via ingestion." [] synonym: "glucosamine supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600006 ! has exposure stimulus glucosamine supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600006 ! has exposure stimulus glucosamine supplement [Term] id: ECTO:0070169 name: exposure to melatonin supplement via ingestion def: "An exposure to melatonin supplement via ingestion." [] synonym: "melatonin supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600007 ! has exposure stimulus melatonin supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600007 ! has exposure stimulus melatonin supplement [Term] id: ECTO:0070170 name: exposure to milk thistle supplement via ingestion def: "An exposure to milk thistle supplement via ingestion." [] synonym: "milk thistle supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600008 ! has exposure stimulus milk thistle supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600008 ! has exposure stimulus milk thistle supplement [Term] id: ECTO:0070171 name: exposure to omega-3- fatty acid supplement via ingestion def: "An exposure to omega-3- fatty acid supplement via ingestion." [] synonym: "omega-3- fatty acid supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600009 ! has exposure stimulus omega-3- fatty acid supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600009 ! has exposure stimulus omega-3- fatty acid supplement [Term] id: ECTO:0070172 name: exposure to red yeast rice supplement via ingestion def: "An exposure to red yeast rice supplement via ingestion." [] synonym: "red yeast rice supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600010 ! has exposure stimulus red yeast rice supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600010 ! has exposure stimulus red yeast rice supplement [Term] id: ECTO:0070173 name: exposure to resveratrol supplement via ingestion def: "An exposure to resveratrol supplement via ingestion." [] synonym: "resveratrol supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600011 ! has exposure stimulus resveratrol supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600011 ! has exposure stimulus resveratrol supplement [Term] id: ECTO:0070174 name: exposure to St. John's wort supplement via ingestion def: "An exposure to St. John's wort supplement via ingestion." [] synonym: "St. John's wort supplement exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03600012 ! has exposure stimulus St. John's wort supplement relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03600012 ! has exposure stimulus St. John's wort supplement [Term] id: ECTO:0070175 name: exposure to butter (unsalted) via ingestion def: "An exposure to butter (unsalted) via ingestion." [] synonym: "butter (unsalted) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301777 ! has exposure stimulus butter (unsalted) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301777 ! has exposure stimulus butter (unsalted) [Term] id: ECTO:0070176 name: exposure to butter (salted) via ingestion def: "An exposure to butter (salted) via ingestion." [] synonym: "butter (salted) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302643 ! has exposure stimulus butter (salted) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302643 ! has exposure stimulus butter (salted) [Term] id: ECTO:0070177 name: exposure to peanut butter (smooth) via ingestion def: "An exposure to peanut butter (creamy) via ingestion." [] synonym: "peanut butter (creamy) exposure via ingestion" EXACT [] is_a: ECTO:0070151 ! exposure to peanut butter via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03306903 ! has exposure stimulus peanut butter (creamy) relationship: RO:0002309 FOODON:03306903 ! has exposure stimulus peanut butter (creamy) [Term] id: ECTO:0070178 name: exposure to Williams pear via ingestion def: "An exposure to Williams pear (whole) via ingestion." [] synonym: "Williams pear (whole) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003575 ! has exposure stimulus Williams pear (whole) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003575 ! has exposure stimulus Williams pear (whole) [Term] id: ECTO:0070179 name: exposure to red onion via ingestion def: "An exposure to red onion (whole, raw) via ingestion." [] synonym: "red onion (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070056 ! exposure to onion via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003515 ! has exposure stimulus red onion (whole, raw) relationship: RO:0002309 FOODON:00003515 ! has exposure stimulus red onion (whole, raw) [Term] id: ECTO:0070180 name: exposure to white onion via ingestion def: "An exposure to white onion (whole, raw) via ingestion." [] synonym: "white onion (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070056 ! exposure to onion via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003349 ! has exposure stimulus white onion (whole, raw) relationship: RO:0002309 FOODON:00003349 ! has exposure stimulus white onion (whole, raw) [Term] id: ECTO:0070181 name: exposure to yellow onion via ingestion def: "An exposure to yellow onion (whole, raw) via ingestion." [] synonym: "yellow onion (whole, raw) exposure via ingestion" EXACT [] is_a: ECTO:0070056 ! exposure to onion via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311276 ! has exposure stimulus yellow onion (whole, raw) relationship: RO:0002309 FOODON:03311276 ! has exposure stimulus yellow onion (whole, raw) [Term] id: ECTO:0070182 name: exposure to stone fruit via ingestion def: "An exposure to stone fruit food product via ingestion." [] synonym: "stone fruit food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002277 ! has exposure stimulus stone fruit food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002277 ! has exposure stimulus stone fruit food product [Term] id: ECTO:0070183 name: exposure to legume food product via ingestion def: "An exposure to legume food product via ingestion." [] synonym: "legume food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00001264 ! has exposure stimulus legume food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00001264 ! has exposure stimulus legume food product [Term] id: ECTO:0070184 name: exposure to plant leaf vegetable food product via ingestion def: "An exposure to plant leaf vegetable food product via ingestion." [] synonym: "plant leaf vegetable food product exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00002143 ! has exposure stimulus plant leaf vegetable food product relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00002143 ! has exposure stimulus plant leaf vegetable food product [Term] id: ECTO:0070185 name: exposure to bacon (whole cut or parts) via ingestion def: "An exposure to bacon (whole cut or parts) via ingestion." [] synonym: "bacon (whole cut or parts) exposure via ingestion" EXACT [] is_a: ECTO:0070084 ! exposure to processed meat food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03317331 ! has exposure stimulus bacon (whole cut or parts) relationship: RO:0002309 FOODON:03317331 ! has exposure stimulus bacon (whole cut or parts) [Term] id: ECTO:0070186 name: exposure to poultry (processed) via ingestion def: "An exposure to poultry (processed) via ingestion." [] synonym: "poultry (processed) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03310828 ! has exposure stimulus poultry (processed) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03310828 ! has exposure stimulus poultry (processed) [Term] id: ECTO:0070187 name: exposure to red meat (raw) via ingestion def: "An exposure to red meat (raw) via ingestion." [] synonym: "red meat (raw) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03301297 ! has exposure stimulus red meat (raw) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03301297 ! has exposure stimulus red meat (raw) [Term] id: ECTO:0070188 name: exposure to shellfish via ingestion def: "An exposure to shellfish via ingestion." [] synonym: "shellfish exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03411433 ! has exposure stimulus shellfish relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03411433 ! has exposure stimulus shellfish [Term] id: ECTO:0070189 name: exposure to whitefish via ingestion def: "An exposure to whitefish (fisheries term) via ingestion." [] synonym: "whitefish (fisheries term) exposure via ingestion" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003281 ! has exposure stimulus whitefish (fisheries term) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003281 ! has exposure stimulus whitefish (fisheries term) [Term] id: ECTO:0070190 name: exposure to spinach (cooked) via ingestion def: "An exposure to spinach (cooked) via ingestion." [] synonym: "spinach (cooked) exposure via ingestion" EXACT [] is_a: ECTO:0070184 ! exposure to plant leaf vegetable food product via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003908 ! has exposure stimulus spinach (cooked) relationship: RO:0002309 FOODON:00003908 ! has exposure stimulus spinach (cooked) [Term] id: ECTO:0070191 name: exposure to whole grain bread via ingestion def: "An exposure to whole grain bread via ingestion." [] synonym: "whole grain bread exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003923 ! has exposure stimulus whole grain bread relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003923 ! has exposure stimulus whole grain bread [Term] id: ECTO:0070192 name: exposure to whole oat bread via ingestion def: "An exposure to whole oat bread via ingestion." [] synonym: "whole oat bread exposure via ingestion" EXACT [] is_a: ECTO:0070191 ! exposure to whole grain bread via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003938 ! has exposure stimulus whole oat bread relationship: RO:0002309 FOODON:00003938 ! has exposure stimulus whole oat bread [Term] id: ECTO:0070193 name: exposure to soft drink (diet, caffeinated) via ingestion def: "An exposure to diet soft drink (caffeinated) via ingestion." [] synonym: "diet soft drink (caffeinated) exposure via ingestion" EXACT [] is_a: ECTO:0070194 ! exposure to soft drink (caffeinated) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003939 ! has exposure stimulus diet soft drink (caffeinated) relationship: RO:0002309 FOODON:00003939 ! has exposure stimulus diet soft drink (caffeinated) [Term] id: ECTO:0070194 name: exposure to soft drink (caffeinated) via ingestion def: "An exposure to soft drink (caffeinated) via ingestion." [] synonym: "soft drink (caffeinated) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003940 ! has exposure stimulus soft drink (caffeinated) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003940 ! has exposure stimulus soft drink (caffeinated) [Term] id: ECTO:0070195 name: exposure to tea (liquid, decaffeinated) via ingestion def: "An exposure to tea (liquid, decafeinated) via ingestion." [] synonym: "tea (liquid, decafeinated) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003941 ! has exposure stimulus tea (liquid, decafeinated) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003941 ! has exposure stimulus tea (liquid, decafeinated) [Term] id: ECTO:0070196 name: exposure to tea (liquid, caffeinated) via ingestion def: "An exposure to tea (liquid, caffeinated) via ingestion." [] synonym: "tea (liquid, caffeinated) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003942 ! has exposure stimulus tea (liquid, caffeinated) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003942 ! has exposure stimulus tea (liquid, caffeinated) [Term] id: ECTO:0070197 name: exposure to coffee (liquid, decaffeinated) via ingestion def: "An exposure to coffee (liquid, decafeinated) via ingestion." [] synonym: "coffee (liquid, decafeinated) exposure via ingestion" EXACT [] is_a: ECTO:0070134 ! exposure to coffee (liquid beverage) via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003943 ! has exposure stimulus coffee (liquid, decafeinated) relationship: RO:0002309 FOODON:00003943 ! has exposure stimulus coffee (liquid, decafeinated) [Term] id: ECTO:0070198 name: exposure to dairy-based coffee drink via ingestion def: "An exposure to dairy-based coffee drink via ingestion." [] synonym: "dairy-based coffee drink exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003944 ! has exposure stimulus dairy-based coffee drink relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003944 ! has exposure stimulus dairy-based coffee drink [Term] id: ECTO:0070199 name: exposure to cow milk cheese (nonfat) via ingestion def: "An exposure to cow milk cheese (nonfat) via ingestion." [] synonym: "cow milk cheese (nonfat) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003945 ! has exposure stimulus cow milk cheese (nonfat) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003945 ! has exposure stimulus cow milk cheese (nonfat) [Term] id: ECTO:0070200 name: exposure to winter squash (whole) via ingestion def: "An exposure to winter squash (whole) via ingestion." [] synonym: "winter squash (whole) exposure via ingestion" EXACT [] is_a: ECTO:0070051 ! exposure to squash via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003946 ! has exposure stimulus winter squash (whole) relationship: RO:0002309 FOODON:00003946 ! has exposure stimulus winter squash (whole) [Term] id: ECTO:0070201 name: exposure to sucralose-based sweetener via ingestion def: "An exposure to sucralose-based sweetener via ingestion." [] synonym: "sucralose-based sweetener exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003947 ! has exposure stimulus sucralose-based sweetener relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003947 ! has exposure stimulus sucralose-based sweetener [Term] id: ECTO:0070202 name: exposure to aspartame-based sweetener via ingestion def: "An exposure to aspartame-based sweetener via ingestion." [] synonym: "aspartame-based sweetener exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003948 ! has exposure stimulus aspartame-based sweetener relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003948 ! has exposure stimulus aspartame-based sweetener [Term] id: ECTO:0070203 name: exposure to saccharin-based sweetener via ingestion def: "An exposure to saccharin-based sweetener via ingestion." [] synonym: "saccharin-based sweetener exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003949 ! has exposure stimulus saccharin-based sweetener relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003949 ! has exposure stimulus saccharin-based sweetener [Term] id: ECTO:0070204 name: exposure to cow milk (liquid) via ingestion def: "An exposure to cow milk (liquid) via ingestion." [] synonym: "cow milk (liquid) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03302116 ! has exposure stimulus cow milk (liquid) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03302116 ! has exposure stimulus cow milk (liquid) [Term] id: ECTO:0070205 name: exposure to high mercury food material via ingestion def: "An exposure to high mercury food material via ingestion." [] synonym: "high mercury food material exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00004101 ! has exposure stimulus high mercury food material relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00004101 ! has exposure stimulus high mercury food material [Term] id: ECTO:0070206 name: exposure to rice milk via ingestion def: "An exposure to rice milk beverage via ingestion." [] synonym: "rice milk beverage exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03311386 ! has exposure stimulus rice milk beverage relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03311386 ! has exposure stimulus rice milk beverage [Term] id: ECTO:0070207 name: exposure to coconut milk via ingestion def: "An exposure to coconut milk via ingestion." [] synonym: "coconut milk exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03303084 ! has exposure stimulus coconut milk relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03303084 ! has exposure stimulus coconut milk [Term] id: ECTO:0070208 name: exposure to cashew milk via ingestion def: "An exposure to cashew milk via ingestion." [] synonym: "cashew milk exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:00003866 ! has exposure stimulus cashew milk relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:00003866 ! has exposure stimulus cashew milk [Term] id: ECTO:0070209 name: exposure to dark fish flesh via ingestion def: "An exposure to dark fish flesh via ingestion." [] synonym: "dark fish flesh exposure via ingestion" EXACT [] is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03530058 ! has exposure stimulus dark fish flesh relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03530058 ! has exposure stimulus dark fish flesh [Term] id: ECTO:0070210 name: exposure to multivitamin preparation via ingestion def: "An exposure to multivitamin preparation via ingestion." [] synonym: "multivitamin preparation exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03315171 ! has exposure stimulus multivitamin preparation relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03315171 ! has exposure stimulus multivitamin preparation [Term] id: ECTO:0080000 name: exposure to arsenic in water via ingestion def: "An exposure to arsenic atom mixed in liquid water via ingestion." [] synonym: "arsenic atom exposure in liquid water via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9001631 ! exposure to metalloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27563 ! has exposure stimulus arsenic atom intersection_of: RO:0016004 ENVO:00002006 ! has exposure medium liquid water relationship: RO:0002309 CHEBI:27563 ! has exposure stimulus arsenic atom relationship: RO:0016004 ENVO:00002006 ! has exposure medium liquid water [Term] id: ECTO:0080001 name: exposure to polycyclic hydrocarbon in air via inhalation def: "An exposure to polycyclic hydrocarbon mixed in air via inhalation." [] synonym: "polycyclic hydrocarbon exposure in air via inhalation" EXACT [] is_a: ECTO:9002148 ! exposure to polycyclic hydrocarbon intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 CHEBI:33666 ! has exposure stimulus polycyclic hydrocarbon intersection_of: RO:0016004 ENVO:00002005 ! has exposure medium air relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation relationship: RO:0016004 ENVO:00002005 ! has exposure medium air [Term] id: ECTO:0080002 name: exposure to chlorpyrifos in apple via ingestion def: "An exposure to chlorpyrifos mixed in apple (whole) via ingestion." [] synonym: "chlorpyrifos exposure in apple (whole) via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000633 ! exposure to chlorpyrifos intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:34631 ! has exposure stimulus chlorpyrifos intersection_of: RO:0016004 FOODON:00002473 ! has exposure medium apple (whole) relationship: RO:0016004 FOODON:00002473 ! has exposure medium apple (whole) [Term] id: ECTO:0080003 name: exposure to lead in water via ingestion def: "An exposure to lead molecular entity mixed in liquid water via ingestion." [] synonym: "lead molecular entity exposure in liquid water via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000945 ! exposure to lead intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:33585 ! has exposure stimulus lead molecular entity intersection_of: RO:0016004 ENVO:00002006 ! has exposure medium liquid water relationship: RO:0016004 ENVO:00002006 ! has exposure medium liquid water [Term] id: ECTO:0080004 name: exposure to hydrogen chloride in air via inhalation def: "An exposure to hydrogen chloride mixed in air via inhalation." [] synonym: "hydrogen chloride exposure in air via inhalation" EXACT [] is_a: ECTO:9000016 ! exposure to hydrogen chloride intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 CHEBI:17883 ! has exposure stimulus hydrogen chloride intersection_of: RO:0016004 ENVO:00002005 ! has exposure medium air relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation relationship: RO:0016004 ENVO:00002005 ! has exposure medium air [Term] id: ECTO:0080005 name: exposure to radon in air via inhalation def: "An exposure to radon molecular entity mixed in air via inhalation." [] synonym: "radon molecular entity exposure in air via inhalation" EXACT [] is_a: ECTO:9000097 ! exposure to radon intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 CHEBI:36911 ! has exposure stimulus radon molecular entity intersection_of: RO:0016004 ENVO:00002005 ! has exposure medium air relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation relationship: RO:0016004 ENVO:00002005 ! has exposure medium air [Term] id: ECTO:0080006 name: exposure to calcium in water via ingestion def: "An exposure to calcium molecular entity mixed in liquid water via ingestion." [] synonym: "calcium molecular entity exposure in liquid water via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:22985 ! has exposure stimulus calcium molecular entity intersection_of: RO:0016004 ENVO:00002006 ! has exposure medium liquid water relationship: RO:0002309 CHEBI:22985 ! has exposure stimulus calcium molecular entity relationship: RO:0016004 ENVO:00002006 ! has exposure medium liquid water [Term] id: ECTO:0080007 name: exposure to magnesium in water via ingestion def: "An exposure to magnesium molecular entity mixed in liquid water via ingestion." [] synonym: "magnesium molecular entity exposure in liquid water via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:25108 ! has exposure stimulus magnesium molecular entity intersection_of: RO:0016004 ENVO:00002006 ! has exposure medium liquid water relationship: RO:0002309 CHEBI:25108 ! has exposure stimulus magnesium molecular entity relationship: RO:0016004 ENVO:00002006 ! has exposure medium liquid water [Term] id: ECTO:0090001 name: exposure to glucose in food def: "An exposure to glucose mixed in food product." [] synonym: "glucose exposure in food product" EXACT [] is_a: ECTO:0090005 ! exposure to monosaccharide in food is_a: ECTO:9000165 ! exposure to glucose intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:17234 ! has exposure stimulus glucose [Term] id: ECTO:0090002 name: exposure to fructose in food def: "An exposure to fructose mixed in food product." [] synonym: "fructose exposure in food product" EXACT [] is_a: ECTO:0090005 ! exposure to monosaccharide in food is_a: ECTO:9000166 ! exposure to fructose intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:28757 ! has exposure stimulus fructose [Term] id: ECTO:0090003 name: exposure to sucrose in food def: "An exposure to sucrose mixed in food product." [] synonym: "sucrose exposure in food product" EXACT [] is_a: ECTO:9000163 ! exposure to sucrose intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:17992 ! has exposure stimulus sucrose relationship: RO:0002243 FOODON:00001002 ! has exposure transport path food product [Term] id: ECTO:0090004 name: exposure to protein in food def: "An exposure to protein mixed in food product." [] synonym: "protein exposure in food product" EXACT [] is_a: ECTO:9002133 ! exposure to protein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:36080 ! has exposure stimulus protein relationship: RO:0002243 FOODON:00001002 ! has exposure transport path food product [Term] id: ECTO:0090005 name: exposure to monosaccharide in food def: "An exposure to monosaccharide mixed in food product." [] synonym: "monosaccharide exposure in food product" EXACT [] is_a: ECTO:9000239 ! exposure to monosaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:35381 ! has exposure stimulus monosaccharide relationship: RO:0002243 FOODON:00001002 ! has exposure transport path food product [Term] id: ECTO:0090006 name: exposure to cholesterol in food def: "An exposure to cholesterol mixed in food product." [] synonym: "cholesterol exposure in food product" EXACT [] is_a: ECTO:0090010 ! exposure to lipid in food is_a: ECTO:9000310 ! exposure to cholesterol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:16113 ! has exposure stimulus cholesterol [Term] id: ECTO:0090007 name: exposure to triglyceride in food def: "An exposure to triglyceride mixed in food product." [] synonym: "triglyceride exposure in food product" EXACT [] is_a: ECTO:0090010 ! exposure to lipid in food is_a: ECTO:9000236 ! exposure to triglyceride intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:17855 ! has exposure stimulus triglyceride [Term] id: ECTO:0090008 name: exposure to low-density lipoprotein in food def: "An exposure to low-density lipoprotein mixed in food product." [] synonym: "low-density lipoprotein exposure in food product" EXACT [] is_a: ECTO:0090004 ! exposure to protein in food is_a: ECTO:9002134 ! exposure to low-density lipoprotein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:39026 ! has exposure stimulus low-density lipoprotein [Term] id: ECTO:0090009 name: exposure to high-density lipoprotein in food def: "An exposure to high-density lipoprotein mixed in food product." [] synonym: "high-density lipoprotein exposure in food product" EXACT [] is_a: ECTO:0090004 ! exposure to protein in food is_a: ECTO:9002135 ! exposure to high-density lipoprotein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:39025 ! has exposure stimulus high-density lipoprotein [Term] id: ECTO:0090010 name: exposure to lipid in food def: "An exposure to lipid mixed in food product." [] synonym: "lipid exposure in food product" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 FOODON:00001002 ! has exposure transport path food product intersection_of: RO:0002309 CHEBI:18059 ! has exposure stimulus lipid relationship: RO:0002243 FOODON:00001002 ! has exposure transport path food product [Term] id: ECTO:0090011 name: exposure to paraquat in air def: "An exposure to paraquat mixed in air." [] synonym: "paraquat exposure in air" EXACT [] is_a: ECTO:9000395 ! exposure to paraquat intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00002005 ! has exposure transport path air intersection_of: RO:0002309 CHEBI:34905 ! has exposure stimulus paraquat relationship: RO:0002243 ENVO:00002005 ! has exposure transport path air [Term] id: ECTO:0090012 name: exposure to paraquat in soil def: "An exposure to paraquat mixed in soil." [] synonym: "paraquat exposure in soil" EXACT [] is_a: ECTO:9000395 ! exposure to paraquat intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00001998 ! has exposure transport path soil intersection_of: RO:0002309 CHEBI:34905 ! has exposure stimulus paraquat relationship: RO:0002243 ENVO:00001998 ! has exposure transport path soil [Term] id: ECTO:0090013 name: exposure to paraquat in water def: "An exposure to paraquat mixed in liquid water." [] synonym: "paraquat exposure in liquid water" EXACT [] is_a: ECTO:9000395 ! exposure to paraquat intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water intersection_of: RO:0002309 CHEBI:34905 ! has exposure stimulus paraquat relationship: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water [Term] id: ECTO:0090014 name: exposure to DDT in air def: "An exposure to DDT mixed in air." [] synonym: "DDT exposure in air" EXACT [] is_a: ECTO:9000281 ! exposure to DDT intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00002005 ! has exposure transport path air intersection_of: RO:0002309 CHEBI:16130 ! has exposure stimulus DDT relationship: RO:0002243 ENVO:00002005 ! has exposure transport path air [Term] id: ECTO:0090015 name: exposure to DDT in soil def: "An exposure to DDT mixed in soil." [] synonym: "DDT exposure in soil" EXACT [] is_a: ECTO:9000281 ! exposure to DDT intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00001998 ! has exposure transport path soil intersection_of: RO:0002309 CHEBI:16130 ! has exposure stimulus DDT relationship: RO:0002243 ENVO:00001998 ! has exposure transport path soil [Term] id: ECTO:0090016 name: exposure to DDT in water def: "An exposure to DDT mixed in liquid water." [] synonym: "DDT exposure in liquid water" EXACT [] is_a: ECTO:9000281 ! exposure to DDT intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water intersection_of: RO:0002309 CHEBI:16130 ! has exposure stimulus DDT relationship: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water [Term] id: ECTO:0100000 name: exposure to nicotine addictive consumption def: "An exposure event involving nicotine consumption of an addictive substance" [] synonym: "nicotine consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100001 name: exposure to drinking alcohol def: "An exposure event involving ethanol consumption of an addictive substance" [] synonym: "ethanol consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100002 name: exposure to smoking nicotine def: "An exposure event involving nicotine smoking behavior" [] synonym: "nicotine smoking behavior exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100003 name: exposure to cigarette smoking def: "An exposure event involving nicotine cigarette smoking behavior" [] synonym: "nicotine cigarette smoking behavior exposure" EXACT [] is_a: ECTO:0100002 ! exposure to smoking nicotine [Term] id: ECTO:0100004 name: exposure to cigar smoking def: "An exposure event involving nicotine cigar smoking behavior" [] synonym: "nicotine cigar smoking behavior exposure" EXACT [] is_a: ECTO:0100002 ! exposure to smoking nicotine [Term] id: ECTO:0100005 name: exposure to cannabis def: "An exposure event involving Cannabis sativa consumption of an addictive substance" [] synonym: "Cannabis sativa consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100006 name: exposure to morphiane alkaloid def: "An exposure event involving morphinane alkaloid consumption of an addictive substance" [] synonym: "morphinane alkaloid consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100007 name: exposure to cocaine addictive consumption def: "An exposure event involving cocaine consumption of an addictive substance" [] synonym: "cocaine consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100008 name: exposure to methamphetamine addictive consumption def: "An exposure event involving methamphetamine consumption of an addictive substance" [] synonym: "methamphetamine consumption of an addictive substance exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100009 name: exposure to heroin addictive consumption def: "An exposure event involving heroin consumption of an addictive substance" [] synonym: "heroin consumption of an addictive substance exposure" EXACT [] is_a: ECTO:0100006 ! exposure to morphiane alkaloid [Term] id: ECTO:0100010 name: exposure to tobacco pipe smoking def: "An exposure event involving nicotine pipe smoking behavior" [] synonym: "nicotine pipe smoking behavior exposure" EXACT [] is_a: ECTO:0100002 ! exposure to smoking nicotine [Term] id: ECTO:0100011 name: exposure to tobacco chewing def: "An exposure event involving nicotine tobacco chewing behavior" [] synonym: "nicotine tobacco chewing behavior exposure" EXACT [] is_a: ECTO:0100013 ! exposure to tobacco [Term] id: ECTO:0100012 name: exposure to snuffing def: "An exposure event involving nicotine snuffing behavior" [] synonym: "nicotine snuffing behavior exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0100013 name: exposure to tobacco def: "An exposure event involving nicotine tobacco consumption" [] synonym: "nicotine tobacco consumption exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process [Term] id: ECTO:0200001 name: exposure to corticosteroid therapy via inhalation def: "An exposure to inhaled corticosteroid agent therapy via inhalation." [] synonym: "exposure to inhaled corticosteroid agent therapy via inhalation" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 MAXO:0000314 ! has exposure stimulus inhaled corticosteroid agent therapy relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation relationship: RO:0002309 MAXO:0000314 ! has exposure stimulus inhaled corticosteroid agent therapy [Term] id: ECTO:0200002 name: exposure to glycemic agent therapy via ingestion def: "An exposure to glycemic agent therapy via ingestion." [] synonym: "exposure to glycemic agent therapy via ingestion" EXACT [] is_a: ECTO:2000035 ! exposure to glycemic agents intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 MAXO:0000258 ! has exposure stimulus glycemic agent therapy relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion [Term] id: ECTO:0200003 name: exposure to anticoagulant therapy via ingestion def: "An exposure to anticoagulant agent therapy via ingestion." [] synonym: "exposure to anticoagulant agent therapy via ingestion" EXACT [] is_a: ECTO:2000027 ! exposure to anticoagulants intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 MAXO:0000178 ! has exposure stimulus anticoagulant agent therapy relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion [Term] id: ECTO:0200004 name: exposure to maternal pharmacotherapy def: "An exposure to pharmacotherapy via maternal." [] synonym: "exposure to pharmacotherapy via maternal" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 MAXO:0000058 ! has exposure stimulus pharmacotherapy relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300000 name: exposure to nicotine via maternal def: "An exposure event involving nicotine consumption of an addictive substance via maternal" [] synonym: "nicotine consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100000 ! exposure to nicotine addictive consumption relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300001 name: exposure to drinking alcohol via maternal def: "An exposure event involving ethanol consumption of an addictive substance via maternal" [] synonym: "ethanol consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100001 ! exposure to drinking alcohol relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300002 name: exposure to smoking nicotine via maternal def: "An exposure event involving nicotine smoking behavior via maternal" [] synonym: "nicotine smoking behavior exposure via maternal" EXACT [] is_a: ECTO:0100002 ! exposure to smoking nicotine relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300003 name: exposure to cigarette smoking via maternal def: "An exposure event involving nicotine cigarette smoking behavior via maternal" [] synonym: "nicotine cigarette smoking behavior exposure via maternal" EXACT [] is_a: ECTO:0100003 ! exposure to cigarette smoking is_a: ECTO:0300002 ! exposure to smoking nicotine via maternal [Term] id: ECTO:0300004 name: exposure to cigar smoking via maternal def: "An exposure event involving nicotine cigar smoking behavior via maternal" [] synonym: "nicotine cigar smoking behavior exposure via maternal" EXACT [] is_a: ECTO:0100004 ! exposure to cigar smoking is_a: ECTO:0300002 ! exposure to smoking nicotine via maternal [Term] id: ECTO:0300006 name: exposure to morphiane alkaloid via maternal def: "An exposure event involving morphinane alkaloid consumption of an addictive substance via maternal" [] synonym: "morphinane alkaloid consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100006 ! exposure to morphiane alkaloid relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300007 name: exposure to cocaine via maternal def: "An exposure event involving cocaine consumption of an addictive substance via maternal" [] synonym: "cocaine consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100007 ! exposure to cocaine addictive consumption relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300008 name: exposure to methamphetamine via maternal def: "An exposure event involving methamphetamine consumption of an addictive substance via maternal" [] synonym: "methamphetamine consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100008 ! exposure to methamphetamine addictive consumption relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300009 name: exposure to heroin via maternal def: "An exposure event involving heroin consumption of an addictive substance via maternal" [] synonym: "heroin consumption of an addictive substance exposure via maternal" EXACT [] is_a: ECTO:0100009 ! exposure to heroin addictive consumption is_a: ECTO:0300006 ! exposure to morphiane alkaloid via maternal [Term] id: ECTO:0300010 name: exposure to cannabinoid via maternal def: "An exposure event involving cannabinoid consumption of an addictive substance via maternal" [] synonym: "cannabinoid consumption of an addictive substance exposure via maternal" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0300011 name: exposure to opioid agent via maternal def: "An exposure event involving opioid agent consumption of an addictive substance via maternal" [] synonym: "opioid agent consumption of an addictive substance exposure via maternal" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0400000 name: exposure to environmental layer def: "A exposure event involving the interaction of an exposure receptor to layer." [] synonym: "layer exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000281 ! has exposure stimulus layer relationship: RO:0002309 ENVO:01000281 ! has exposure stimulus layer [Term] id: ECTO:0400001 name: exposure to increased salt in water def: "A exposure event involving the interaction of an exposure receptor to increased amount of salt in liquid water." [] synonym: "increased amount exposure to salt in liquid water" EXACT [] is_a: ECTO:4000002 ! exposure to increased salt relationship: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water [Term] id: ECTO:0400002 name: exposure to decreased salt in water def: "A exposure event involving the interaction of an exposure receptor to decreased amount of salt in liquid water." [] synonym: "decreased amount exposure to salt in liquid water" EXACT [] is_a: ECTO:4000003 ! exposure to decreased salt relationship: RO:0002243 ENVO:00002006 ! has exposure transport path liquid water [Term] id: ECTO:0400003 name: exposure to increased salt in soil def: "A exposure event involving the interaction of an exposure receptor to increased amount of salt in soil." [] synonym: "increased amount exposure to salt in soil" EXACT [] is_a: ECTO:4000002 ! exposure to increased salt relationship: RO:0002243 ENVO:00001998 ! has exposure transport path soil [Term] id: ECTO:0400004 name: exposure to decreased salt in soil def: "A exposure event involving the interaction of an exposure receptor to decreased amount of salt in soil." [] synonym: "decreased amount exposure to salt in soil" EXACT [] is_a: ECTO:4000003 ! exposure to decreased salt relationship: RO:0002243 ENVO:00001998 ! has exposure transport path soil [Term] id: ECTO:0400005 name: exposure to increased methane in air def: "A exposure event involving the interaction of an exposure receptor to increased amount of methane in air." [] synonym: "increased amount exposure to methane in air" EXACT [] is_a: ECTO:4000004 ! exposure to increased methane relationship: RO:0002243 ENVO:00002005 ! has exposure transport path air [Term] id: ECTO:0400006 name: exposure to decreased methane in air def: "A exposure event involving the interaction of an exposure receptor to decreased amount of methane in air." [] synonym: "decreased amount exposure to methane in air" EXACT [] is_a: ECTO:4000005 ! exposure to decreased methane relationship: RO:0002243 ENVO:00002005 ! has exposure transport path air [Term] id: ECTO:0400007 name: exposure to increased glucose in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of glucose in obsolete food product." [] synonym: "increased amount exposure to glucose in obsolete food product" EXACT [] is_a: ECTO:0400011 ! exposure to increased monosaccharide in food is_a: ECTO:4000006 ! exposure to increased glucose [Term] id: ECTO:0400008 name: exposure to increased fructose in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of fructose in obsolete food product." [] synonym: "increased amount exposure to fructose in obsolete food product" EXACT [] is_a: ECTO:0400011 ! exposure to increased monosaccharide in food is_a: ECTO:4000007 ! exposure to increased fructose [Term] id: ECTO:0400009 name: exposure to increased sucrose in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of sucrose in obsolete food product." [] synonym: "increased amount exposure to sucrose in obsolete food product" EXACT [] is_a: ECTO:4000008 ! exposure to increased sucrose relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400010 name: exposure to increased protein in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of protein in obsolete food product." [] synonym: "increased amount exposure to protein in obsolete food product" EXACT [] is_a: ECTO:4000009 ! exposure to increased protein relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400011 name: exposure to increased monosaccharide in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of monosaccharide in obsolete food product." [] synonym: "increased amount exposure to monosaccharide in obsolete food product" EXACT [] is_a: ECTO:4000010 ! exposure to increased monosaccharide relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400012 name: exposure to increased cholesterol in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of cholesterol in obsolete food product." [] synonym: "increased amount exposure to cholesterol in obsolete food product" EXACT [] is_a: ECTO:4000011 ! exposure to increased cholesterol relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400013 name: exposure to increased triglyceride in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of triglyceride in obsolete food product." [] synonym: "increased amount exposure to triglyceride in obsolete food product" EXACT [] is_a: ECTO:4000012 ! exposure to increased triglyceride relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400014 name: exposure to increased low-density lipoprotein in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of low-density lipoprotein in obsolete food product." [] synonym: "increased amount exposure to low-density lipoprotein in obsolete food product" EXACT [] is_a: ECTO:0400010 ! exposure to increased protein in food is_a: ECTO:4000013 ! exposure to increased low-density lipoprotein [Term] id: ECTO:0400015 name: exposure to increased high-density lipoprotein in food def: "A exposure event involving the interaction of an exposure receptor to increased amount of high-density lipoprotein in obsolete food product." [] synonym: "increased amount exposure to high-density lipoprotein in obsolete food product" EXACT [] is_a: ECTO:0400010 ! exposure to increased protein in food is_a: ECTO:4000014 ! exposure to increased high-density lipoprotein [Term] id: ECTO:0400016 name: exposure to decreased glucose in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of glucose in obsolete food product." [] synonym: "decreased amount exposure to glucose in obsolete food product" EXACT [] is_a: ECTO:0400020 ! exposure to decreased monosaccharide in food is_a: ECTO:4000015 ! exposure to decreased glucose [Term] id: ECTO:0400017 name: exposure to decreased fructose in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of fructose in obsolete food product." [] synonym: "decreased amount exposure to fructose in obsolete food product" EXACT [] is_a: ECTO:0400020 ! exposure to decreased monosaccharide in food is_a: ECTO:4000016 ! exposure to decreased fructose [Term] id: ECTO:0400018 name: exposure to decreased sucrose in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of sucrose in obsolete food product." [] synonym: "decreased amount exposure to sucrose in obsolete food product" EXACT [] is_a: ECTO:4000017 ! exposure to decreased sucrose relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400019 name: exposure to decreased protein in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of protein in obsolete food product." [] synonym: "decreased amount exposure to protein in obsolete food product" EXACT [] is_a: ECTO:4000018 ! exposure to decreased protein relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400020 name: exposure to decreased monosaccharide in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of monosaccharide in obsolete food product." [] synonym: "decreased amount exposure to monosaccharide in obsolete food product" EXACT [] is_a: ECTO:4000019 ! exposure to decreased monosaccharide relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400021 name: exposure to decreased cholesterol in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of cholesterol in obsolete food product." [] synonym: "decreased amount exposure to cholesterol in obsolete food product" EXACT [] is_a: ECTO:4000020 ! exposure to decreased cholesterol relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400022 name: exposure to decreased triglyceride in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of triglyceride in obsolete food product." [] synonym: "decreased amount exposure to triglyceride in obsolete food product" EXACT [] is_a: ECTO:4000021 ! exposure to decreased triglyceride relationship: RO:0002243 ENVO:00002002 ! has exposure transport path obsolete food product [Term] id: ECTO:0400023 name: exposure to decreased low-density lipoprotein in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of low-density lipoprotein in obsolete food product." [] synonym: "decreased amount exposure to low-density lipoprotein in obsolete food product" EXACT [] is_a: ECTO:0400019 ! exposure to decreased protein in food is_a: ECTO:4000022 ! exposure to decreased low-density lipoprotein [Term] id: ECTO:0400024 name: exposure to decreased high-density lipoprotein in food def: "A exposure event involving the interaction of an exposure receptor to decreased amount of high-density lipoprotein in obsolete food product." [] synonym: "decreased amount exposure to high-density lipoprotein in obsolete food product" EXACT [] is_a: ECTO:0400019 ! exposure to decreased protein in food is_a: ECTO:4000023 ! exposure to decreased high-density lipoprotein [Term] id: ECTO:0500000 name: exposure to environmental disposition def: "A exposure event involving the interaction of an exposure receptor to environmental disposition." [] synonym: "environmental disposition exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000452 ! has exposure stimulus environmental disposition relationship: RO:0002309 ENVO:01000452 ! has exposure stimulus environmental disposition [Term] id: ECTO:0500001 name: exposure to brake fluid def: "A exposure event involving the interaction of an exposure receptor to brake fluid." [] synonym: "brake fluid exposure" EXACT [] is_a: ECTO:0500002 ! exposure to hydraulic fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510001 ! has exposure stimulus brake fluid relationship: RO:0002309 ENVO:03510001 ! has exposure stimulus brake fluid [Term] id: ECTO:0500002 name: exposure to hydraulic fluid def: "A exposure event involving the interaction of an exposure receptor to hydraulic fluid." [] synonym: "hydraulic fluid exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510004 ! has exposure stimulus hydraulic fluid relationship: RO:0002309 ENVO:03510004 ! has exposure stimulus hydraulic fluid [Term] id: ECTO:0500003 name: exposure to automatic transmission fluid def: "A exposure event involving the interaction of an exposure receptor to automatic transmission fluid." [] synonym: "automatic transmission fluid exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510002 ! has exposure stimulus automatic transmission fluid relationship: RO:0002309 ENVO:03510002 ! has exposure stimulus automatic transmission fluid [Term] id: ECTO:0500004 name: exposure to motor oil def: "A exposure event involving the interaction of an exposure receptor to motor oil." [] synonym: "motor oil exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510005 ! has exposure stimulus motor oil relationship: RO:0002309 ENVO:03510005 ! has exposure stimulus motor oil [Term] id: ECTO:0500005 name: exposure to dye def: "A exposure event involving the interaction of an exposure receptor to dye." [] synonym: "dye exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510010 ! has exposure stimulus dye relationship: RO:0002309 ENVO:03510010 ! has exposure stimulus dye [Term] id: ECTO:0500006 name: exposure to leather dye def: "A exposure event involving the interaction of an exposure receptor to leather dye." [] synonym: "leather dye exposure" EXACT [] is_a: ECTO:0500005 ! exposure to dye intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510011 ! has exposure stimulus leather dye relationship: RO:0002309 ENVO:03510011 ! has exposure stimulus leather dye [Term] id: ECTO:0500007 name: exposure to paper dye def: "A exposure event involving the interaction of an exposure receptor to paper dye." [] synonym: "paper dye exposure" EXACT [] is_a: ECTO:0500005 ! exposure to dye intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510012 ! has exposure stimulus paper dye relationship: RO:0002309 ENVO:03510012 ! has exposure stimulus paper dye [Term] id: ECTO:0500008 name: exposure to textile dye def: "A exposure event involving the interaction of an exposure receptor to textile dye." [] synonym: "textile dye exposure" EXACT [] is_a: ECTO:0500005 ! exposure to dye intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510013 ! has exposure stimulus textile dye relationship: RO:0002309 ENVO:03510013 ! has exposure stimulus textile dye [Term] id: ECTO:0500009 name: exposure to India ink def: "A exposure event involving the interaction of an exposure receptor to India ink." [] synonym: "India ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510014 ! has exposure stimulus India ink relationship: RO:0002309 ENVO:03510014 ! has exposure stimulus India ink [Term] id: ECTO:0500010 name: exposure to fountain pen ink def: "A exposure event involving the interaction of an exposure receptor to fountain pen ink." [] synonym: "fountain pen ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510017 ! has exposure stimulus fountain pen ink relationship: RO:0002309 ENVO:03510017 ! has exposure stimulus fountain pen ink [Term] id: ECTO:0500011 name: exposure to cleaning agent def: "A exposure event involving the interaction of an exposure receptor to cleaning agent." [] synonym: "cleaning agent exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510019 ! has exposure stimulus cleaning agent relationship: RO:0002309 ENVO:03510019 ! has exposure stimulus cleaning agent [Term] id: ECTO:0500012 name: exposure to degreaser def: "A exposure event involving the interaction of an exposure receptor to degreaser." [] synonym: "degreaser exposure" EXACT [] is_a: ECTO:0500011 ! exposure to cleaning agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510020 ! has exposure stimulus degreaser relationship: RO:0002309 ENVO:03510020 ! has exposure stimulus degreaser [Term] id: ECTO:0500013 name: exposure to varnish def: "A exposure event involving the interaction of an exposure receptor to varnish." [] synonym: "varnish exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510021 ! has exposure stimulus varnish relationship: RO:0002309 ENVO:03510021 ! has exposure stimulus varnish [Term] id: ECTO:0500014 name: exposure to resin (gum) varnish def: "A exposure event involving the interaction of an exposure receptor to resin (gum) varnish." [] synonym: "resin (gum) varnish exposure" EXACT [] is_a: ECTO:0500013 ! exposure to varnish intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510022 ! has exposure stimulus resin (gum) varnish relationship: RO:0002309 ENVO:03510022 ! has exposure stimulus resin (gum) varnish [Term] id: ECTO:0500015 name: exposure to stain def: "A exposure event involving the interaction of an exposure receptor to stain." [] synonym: "stain exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510040 ! has exposure stimulus stain relationship: RO:0002309 ENVO:03510040 ! has exposure stimulus stain [Term] id: ECTO:0500016 name: exposure to wood stain def: "A exposure event involving the interaction of an exposure receptor to wood stain." [] synonym: "wood stain exposure" EXACT [] is_a: ECTO:0500015 ! exposure to stain intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510041 ! has exposure stimulus wood stain relationship: RO:0002309 ENVO:03510041 ! has exposure stimulus wood stain [Term] id: ECTO:0500017 name: exposure to lacquer def: "A exposure event involving the interaction of an exposure receptor to lacquer." [] synonym: "lacquer exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510024 ! has exposure stimulus lacquer relationship: RO:0002309 ENVO:03510024 ! has exposure stimulus lacquer [Term] id: ECTO:0500018 name: exposure to oil paint thinner def: "A exposure event involving the interaction of an exposure receptor to oil paint thinner." [] synonym: "oil paint thinner exposure" EXACT [] is_a: ECTO:0500024 ! exposure to paint thinner intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510028 ! has exposure stimulus oil paint thinner relationship: RO:0002309 ENVO:03510028 ! has exposure stimulus oil paint thinner [Term] id: ECTO:0500019 name: exposure to acrylic paint medium def: "A exposure event involving the interaction of an exposure receptor to acrylic paint medium." [] synonym: "acrylic paint medium exposure" EXACT [] is_a: ECTO:0500024 ! exposure to paint thinner intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510026 ! has exposure stimulus acrylic paint medium relationship: RO:0002309 ENVO:03510026 ! has exposure stimulus acrylic paint medium [Term] id: ECTO:0500020 name: exposure to enamel thinner def: "A exposure event involving the interaction of an exposure receptor to enamel thinner." [] synonym: "enamel thinner exposure" EXACT [] is_a: ECTO:0500024 ! exposure to paint thinner intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510027 ! has exposure stimulus enamel thinner relationship: RO:0002309 ENVO:03510027 ! has exposure stimulus enamel thinner [Term] id: ECTO:0500021 name: exposure to vitreous enamel def: "A exposure event involving the interaction of an exposure receptor to vitreous enamel." [] synonym: "vitreous enamel exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510030 ! has exposure stimulus vitreous enamel relationship: RO:0002309 ENVO:03510030 ! has exposure stimulus vitreous enamel [Term] id: ECTO:0500022 name: exposure to turpentine def: "A exposure event involving the interaction of an exposure receptor to turpentine." [] synonym: "turpentine exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510034 ! has exposure stimulus turpentine relationship: RO:0002309 ENVO:03510034 ! has exposure stimulus turpentine [Term] id: ECTO:0500023 name: exposure to naphtha def: "A exposure event involving the interaction of an exposure receptor to naphtha." [] synonym: "naphtha exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510035 ! has exposure stimulus naphtha relationship: RO:0002309 ENVO:03510035 ! has exposure stimulus naphtha [Term] id: ECTO:0500024 name: exposure to paint thinner def: "A exposure event involving the interaction of an exposure receptor to paint thinner." [] synonym: "paint thinner exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510025 ! has exposure stimulus paint thinner relationship: RO:0002309 ENVO:03510025 ! has exposure stimulus paint thinner [Term] id: ECTO:0500025 name: exposure to manufactured product def: "A exposure event involving the interaction of an exposure receptor to manufactured product." [] synonym: "manufactured product exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003074 ! has exposure stimulus manufactured product relationship: RO:0002309 ENVO:00003074 ! has exposure stimulus manufactured product [Term] id: ECTO:0600000 name: exposure to environmental system def: "A exposure event involving the interaction of an exposure receptor to environmental system." [] synonym: "environmental system exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000254 ! has exposure stimulus environmental system relationship: RO:0002309 ENVO:01000254 ! has exposure stimulus environmental system [Term] id: ECTO:0700001 name: exposure to ultrafine respirable suspended particulate matter via inhalation def: "A exposure event involving the interaction of an exposure receptor to ultrafine respirable suspended particulate matter via inhalation." [] synonym: "ultrafine respirable suspended particulate matter exposure via inhalation" EXACT [] is_a: ECTO:0700002 ! exposure to aerosol via inhalation is_a: ECTO:7000118 ! exposure to ultrafine respirable suspended particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 ENVO:01000416 ! has exposure stimulus ultrafine respirable suspended particulate matter [Term] id: ECTO:0700002 name: exposure to aerosol via inhalation def: "A exposure event involving the interaction of an exposure receptor to aerosol via inhalation." [] synonym: "aerosol exposure via inhalation" EXACT [] is_a: ECTO:7000114 ! exposure to aerosol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 ENVO:00010505 ! has exposure stimulus aerosol relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation [Term] id: ECTO:0700003 name: exposure to red meat via ingestion def: "A exposure event involving the interaction of an exposure receptor to red meat (eurofir) via ingestion." [] synonym: "red meat (eurofir) exposure via ingestion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 FOODON:03400794 ! has exposure stimulus red meat (eurofir) relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion relationship: RO:0002309 FOODON:03400794 ! has exposure stimulus red meat (eurofir) [Term] id: ECTO:0800001 name: exposure to environmental process route def: "A exposure event involving the interaction of an exposure receptor to environmental system process happening in route of the receptor." [] synonym: "environmental system process exposure in route" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000055 ! has exposure route route intersection_of: RO:0002309 ENVO:02500000 ! has exposure stimulus environmental system process relationship: RO:0002242 ExO:0000055 ! has exposure route route [Term] id: ECTO:0800002 name: exposure to air pollution via maternal def: "A exposure event involving the interaction of an exposure receptor to air pollution happening in maternal of the receptor." [] synonym: "air pollution exposure in maternal" EXACT [] is_a: ECTO:0800001 ! exposure to environmental process route is_a: ECTO:8000036 ! exposure to air pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 ENVO:02500037 ! has exposure stimulus air pollution relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0800003 name: exposure to famine via maternal def: "A exposure event involving the interaction of an exposure receptor to famine happening in maternal of the receptor." [] synonym: "famine exposure in maternal" EXACT [] is_a: ECTO:0800001 ! exposure to environmental process route intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 ENVO:03510003 ! has exposure stimulus famine relationship: RO:0002242 ExO:0000159 ! has exposure route maternal relationship: RO:0002309 ENVO:03510003 ! has exposure stimulus famine [Term] id: ECTO:0900001 name: exposure to oral steroids def: "An exposure to steroid via ingestion." [] synonym: "steroid exposure via ingestion" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:35341 ! has exposure stimulus steroid [Term] id: ECTO:0900002 name: exposure to aflatoxin via ingestion def: "An exposure to aflatoxin via ingestion." [] synonym: "aflatoxin exposure via ingestion" EXACT [] is_a: ECTO:0001108 ! exposure to aflatoxin is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:22271 ! has exposure stimulus aflatoxin [Term] id: ECTO:0900003 name: exposure to antimony via ingestion def: "An exposure to antimony molecular entity via ingestion." [] synonym: "antimony molecular entity exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000939 ! exposure to antimony intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:36919 ! has exposure stimulus antimony molecular entity [Term] id: ECTO:0900004 name: exposure to arsenic via ingestion def: "An exposure to arsenic molecular entity via ingestion." [] synonym: "arsenic molecular entity exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000032 ! exposure to arsenic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:22632 ! has exposure stimulus arsenic molecular entity [Term] id: ECTO:0900005 name: exposure to cadmium via ingestion def: "An exposure to cadmium molecular entity via ingestion." [] synonym: "cadmium molecular entity exposure via ingestion" EXACT [] is_a: ECTO:0001566 ! exposure to cadmium is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:22978 ! has exposure stimulus cadmium molecular entity [Term] id: ECTO:0900006 name: exposure to mercury via ingestion def: "An exposure to mercury molecular entity via ingestion." [] synonym: "mercury molecular entity exposure via ingestion" EXACT [] is_a: ECTO:0001571 ! exposure to mercury is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:25196 ! has exposure stimulus mercury molecular entity [Term] id: ECTO:0900007 name: exposure to bisphenol A via ingestion def: "An exposure to bisphenol A via ingestion." [] synonym: "bisphenol A exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000057 ! exposure to bisphenol A intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:33216 ! has exposure stimulus bisphenol A [Term] id: ECTO:0900008 name: exposure to monosodium glutamate via ingestion def: "An exposure to monosodium glutamate via ingestion." [] synonym: "monosodium glutamate exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000454 ! exposure to monosodium glutamate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:64220 ! has exposure stimulus monosodium glutamate [Term] id: ECTO:0900009 name: exposure to disodium 5'-guanylate via ingestion def: "An exposure to disodium 5'-guanylate via ingestion." [] synonym: "disodium 5'-guanylate exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9001540 ! exposure to disodium 5'-guanylate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:132932 ! has exposure stimulus disodium 5'-guanylate [Term] id: ECTO:0900010 name: exposure to food additive via ingestion def: "An exposure to food additive via ingestion." [] synonym: "food additive exposure via ingestion" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:64047 ! has exposure stimulus food additive relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion [Term] id: ECTO:0900011 name: exposure to sweetening agent via ingestion def: "An exposure to sweetening agent via ingestion." [] synonym: "sweetening agent exposure via ingestion" EXACT [] is_a: ECTO:0900014 ! exposure to flavoring agent via ingestion is_a: ECTO:9001852 ! exposure to sweetening agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:50505 ! has exposure stimulus sweetening agent [Term] id: ECTO:0900012 name: exposure to food preservative via ingestion def: "An exposure to food preservative via ingestion." [] synonym: "food preservative exposure via ingestion" EXACT [] is_a: ECTO:0900010 ! exposure to food additive via ingestion is_a: ECTO:9002130 ! exposure to food preservative intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:65255 ! has exposure stimulus food preservative [Term] id: ECTO:0900013 name: exposure to food coloring via ingestion def: "An exposure to food colouring via ingestion." [] synonym: "food colouring exposure via ingestion" EXACT [] is_a: ECTO:0900010 ! exposure to food additive via ingestion is_a: ECTO:9002044 ! exposure to food colouring intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:77182 ! has exposure stimulus food colouring [Term] id: ECTO:0900014 name: exposure to flavoring agent via ingestion def: "An exposure to flavouring agent via ingestion." [] synonym: "flavouring agent exposure via ingestion" EXACT [] is_a: ECTO:0900010 ! exposure to food additive via ingestion is_a: ECTO:9001738 ! exposure to flavouring agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:35617 ! has exposure stimulus flavouring agent [Term] id: ECTO:0900015 name: exposure to food emulsifier via ingestion def: "An exposure to food emulsifier via ingestion." [] synonym: "food emulsifier exposure via ingestion" EXACT [] is_a: ECTO:0900010 ! exposure to food additive via ingestion is_a: ECTO:9001930 ! exposure to food emulsifier intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:63047 ! has exposure stimulus food emulsifier [Term] id: ECTO:0900017 name: exposure to cadmium cation via ingestion def: "An exposure to cadmium cation via ingestion." [] synonym: "cadmium cation exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000286 ! exposure to cadmium cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:63063 ! has exposure stimulus cadmium cation [Term] id: ECTO:0900018 name: exposure to mercury cation via ingestion def: "An exposure to mercury cation via ingestion." [] synonym: "mercury cation exposure via ingestion" EXACT [] is_a: ECTO:0900006 ! exposure to mercury via ingestion is_a: ECTO:9000289 ! exposure to mercury cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:25197 ! has exposure stimulus mercury cation [Term] id: ECTO:0900019 name: exposure to heroin via injection def: "An exposure to heroin via injection." [] synonym: "heroin exposure via injection" EXACT [] is_a: ECTO:9001386 ! exposure to heroin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000060 ! has exposure route injection intersection_of: RO:0002309 CHEBI:27808 ! has exposure stimulus heroin relationship: RO:0002242 ExO:0000060 ! has exposure route injection [Term] id: ECTO:0900020 name: exposure to heroin via inhalation def: "An exposure to heroin via inhalation." [] synonym: "heroin exposure via inhalation" EXACT [] is_a: ECTO:9001386 ! exposure to heroin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 CHEBI:27808 ! has exposure stimulus heroin relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation [Term] id: ECTO:0900021 name: exposure to methamphetamine via injection def: "An exposure to methamphetamine via injection." [] synonym: "methamphetamine exposure via injection" EXACT [] is_a: ECTO:9000769 ! exposure to methamphetamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000060 ! has exposure route injection intersection_of: RO:0002309 CHEBI:6809 ! has exposure stimulus methamphetamine relationship: RO:0002242 ExO:0000060 ! has exposure route injection [Term] id: ECTO:0900022 name: exposure to methamphetamine via inhalation def: "An exposure to methamphetamine via inhalation." [] synonym: "methamphetamine exposure via inhalation" EXACT [] is_a: ECTO:9000769 ! exposure to methamphetamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000057 ! has exposure route inhalation intersection_of: RO:0002309 CHEBI:6809 ! has exposure stimulus methamphetamine relationship: RO:0002242 ExO:0000057 ! has exposure route inhalation [Term] id: ECTO:0900023 name: exposure to polycyclic hydrocarbon via maternal def: "An exposure to polycyclic hydrocarbon via maternal." [] synonym: "polycyclic hydrocarbon exposure via maternal" EXACT [] is_a: ECTO:9002148 ! exposure to polycyclic hydrocarbon intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 CHEBI:33666 ! has exposure stimulus polycyclic hydrocarbon relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0900024 name: exposure to vitamin A via ingestion def: "An exposure to vitamin A via ingestion." [] synonym: "vitamin A exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000125 ! exposure to vitamin A intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:12777 ! has exposure stimulus vitamin A [Term] id: ECTO:0900025 name: exposure to vitamin D via ingestion def: "An exposure to vitamin D via ingestion." [] synonym: "vitamin D exposure via ingestion" EXACT [] is_a: ECTO:0900001 ! exposure to oral steroids is_a: ECTO:9000133 ! exposure to vitamin D intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27300 ! has exposure stimulus vitamin D [Term] id: ECTO:0900026 name: exposure to vitamin E via ingestion def: "An exposure to vitamin E via ingestion." [] synonym: "vitamin E exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000224 ! exposure to vitamin E intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:33234 ! has exposure stimulus vitamin E [Term] id: ECTO:0900027 name: exposure to vitamin K via ingestion def: "An exposure to vitamin K via ingestion." [] synonym: "vitamin K exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000139 ! exposure to vitamin K intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:28384 ! has exposure stimulus vitamin K [Term] id: ECTO:0900028 name: exposure to vitamin C via ingestion def: "An exposure to http://purl.obolibrary.org/obo/CHEBI_21241 via ingestion." [] synonym: "http://purl.obolibrary.org/obo/CHEBI_21241 exposure via ingestion" EXACT [] is_a: ECTO:9000143 ! exposure to vitamin C intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:21241 ! has exposure stimulus relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion [Term] id: ECTO:0900029 name: exposure to vitamin B via ingestion def: "An exposure to B vitamin via ingestion." [] synonym: "B vitamin exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:75769 ! has exposure stimulus B vitamin [Term] id: ECTO:0900030 name: exposure to vitamin B6 via ingestion def: "An exposure to vitamin B6 via ingestion." [] synonym: "vitamin B6 exposure via ingestion" EXACT [] is_a: ECTO:0900029 ! exposure to vitamin B via ingestion is_a: ECTO:9000243 ! exposure to vitamin B6 intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27306 ! has exposure stimulus vitamin B6 [Term] id: ECTO:0900031 name: exposure to cobalamin via ingestion def: "An exposure to cobalamin via ingestion." [] synonym: "cobalamin exposure via ingestion" EXACT [] is_a: ECTO:0900029 ! exposure to vitamin B via ingestion is_a: ECTO:9000229 ! exposure to cobalamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:30411 ! has exposure stimulus cobalamin [Term] id: ECTO:0900032 name: exposure to niacin (b3) via ingestion def: "An exposure to nicotinic acid via ingestion." [] synonym: "nicotinic acid exposure via ingestion" EXACT [] is_a: ECTO:0900029 ! exposure to vitamin B via ingestion is_a: ECTO:9002151 ! exposure to niacin(b3) intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:15940 ! has exposure stimulus nicotinic acid [Term] id: ECTO:0900033 name: exposure to calcium via ingestion def: "An exposure to calcium atom via ingestion." [] synonym: "calcium atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:22984 ! has exposure stimulus calcium atom relationship: RO:0002309 CHEBI:22984 ! has exposure stimulus calcium atom [Term] id: ECTO:0900034 name: exposure to chromium via ingestion def: "An exposure to chromium atom via ingestion." [] synonym: "chromium atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:28073 ! has exposure stimulus chromium atom relationship: RO:0002309 CHEBI:28073 ! has exposure stimulus chromium atom [Term] id: ECTO:0900035 name: exposure to iron via ingestion def: "An exposure to iron atom via ingestion." [] synonym: "iron atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:18248 ! has exposure stimulus iron atom relationship: RO:0002309 CHEBI:18248 ! has exposure stimulus iron atom [Term] id: ECTO:0900036 name: exposure to folic acid via ingestion def: "An exposure to folic acid via ingestion." [] synonym: "folic acid exposure via ingestion" EXACT [] is_a: ECTO:0900029 ! exposure to vitamin B via ingestion is_a: ECTO:9000123 ! exposure to folic acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27470 ! has exposure stimulus folic acid [Term] id: ECTO:0900037 name: exposure to potassium via ingestion def: "An exposure to potassium atom via ingestion." [] synonym: "potassium atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:26216 ! has exposure stimulus potassium atom relationship: RO:0002309 CHEBI:26216 ! has exposure stimulus potassium atom [Term] id: ECTO:0900038 name: exposure to selenium via ingestion def: "An exposure to selenium atom via ingestion." [] synonym: "selenium atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27568 ! has exposure stimulus selenium atom relationship: RO:0002309 CHEBI:27568 ! has exposure stimulus selenium atom [Term] id: ECTO:0900039 name: exposure to zinc via ingestion def: "An exposure to zinc atom via ingestion." [] synonym: "zinc atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:27363 ! has exposure stimulus zinc atom relationship: RO:0002309 CHEBI:27363 ! has exposure stimulus zinc atom [Term] id: ECTO:0900040 name: exposure to magnesium via ingestion def: "An exposure to magnesium atom via ingestion." [] synonym: "magnesium atom exposure via ingestion" EXACT [] is_a: ECTO:0900042 ! exposure to chemical entity via ingestion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:25107 ! has exposure stimulus magnesium atom relationship: RO:0002309 CHEBI:25107 ! has exposure stimulus magnesium atom [Term] id: ECTO:0900041 name: exposure to deoxynivalenol via ingestion def: "An exposure to deoxynivalenol via ingestion." [] synonym: "deoxynivalenol exposure via ingestion" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0900042 ! exposure to chemical entity via ingestion is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:10022 ! has exposure stimulus deoxynivalenol relationship: RO:0002309 CHEBI:10022 ! has exposure stimulus deoxynivalenol [Term] id: ECTO:0900042 name: exposure to chemical entity via ingestion def: "An exposure to chemical entity via ingestion." [] synonym: "chemical entity exposure via ingestion" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000056 ! has exposure route ingestion intersection_of: RO:0002309 CHEBI:24431 ! has exposure stimulus chemical entity relationship: RO:0002242 ExO:0000056 ! has exposure route ingestion [Term] id: ECTO:0900043 name: exposure to drug via maternal def: "An exposure to drug via maternal." [] synonym: "drug exposure via maternal" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 CHEBI:23888 ! has exposure stimulus drug relationship: RO:0002242 ExO:0000159 ! has exposure route maternal [Term] id: ECTO:0900044 name: exposure to serotonin uptake inhibitor via maternal def: "An exposure to serotonin uptake inhibitor via maternal." [] synonym: "serotonin uptake inhibitor exposure via maternal" EXACT [] is_a: ECTO:0900043 ! exposure to drug via maternal is_a: ECTO:9001883 ! exposure to serotonin uptake inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 CHEBI:50949 ! has exposure stimulus serotonin uptake inhibitor [Term] id: ECTO:0900045 name: exposure to lead via maternal def: "An exposure to lead atom via maternal." [] synonym: "lead atom exposure via maternal" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002242 ExO:0000159 ! has exposure route maternal intersection_of: RO:0002309 CHEBI:25016 ! has exposure stimulus lead atom relationship: RO:0002242 ExO:0000159 ! has exposure route maternal relationship: RO:0002309 CHEBI:25016 ! has exposure stimulus lead atom [Term] id: ECTO:1000000 name: exposure to environmental condition def: "A exposure event involving the interaction of an exposure receptor to the condition of environmental condition." [] synonym: "environmental condition exposure" EXACT [] is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000203 ! has exposure stimulus environmental condition relationship: RO:0002309 ENVO:01000203 ! has exposure stimulus environmental condition [Term] id: ECTO:1000001 name: exposure to coal power plant def: "A exposure event involving the interaction of an exposure receptor to coal power plant." [] synonym: "coal power plant exposure" EXACT [] is_a: ECTO:1000002 ! exposure to fossil fuel power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000038 ! has exposure stimulus coal power plant relationship: RO:0002309 ENVO:2000038 ! has exposure stimulus coal power plant [Term] id: ECTO:1000002 name: exposure to fossil fuel power plant def: "A exposure event involving the interaction of an exposure receptor to fossil fuel power plant." [] synonym: "fossil fuel power plant exposure" EXACT [] is_a: ECTO:1000009 ! exposure to power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000037 ! has exposure stimulus fossil fuel power plant relationship: RO:0002309 ENVO:2000037 ! has exposure stimulus fossil fuel power plant [Term] id: ECTO:1000003 name: exposure to mine def: "A exposure event involving the interaction of an exposure receptor to mine." [] synonym: "mine exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00000076 ! has exposure stimulus mine relationship: RO:0002309 ENVO:00000076 ! has exposure stimulus mine [Term] id: ECTO:1000004 name: exposure to wooden building floor def: "A exposure event involving the interaction of an exposure receptor to wooden building floor." [] synonym: "wooden building floor exposure" EXACT [] is_a: ECTO:0400000 ! exposure to environmental layer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000488 ! has exposure stimulus wooden building floor relationship: RO:0002309 ENVO:01000488 ! has exposure stimulus wooden building floor [Term] id: ECTO:1000005 name: exposure to concrete building floor def: "A exposure event involving the interaction of an exposure receptor to concrete building floor." [] synonym: "concrete building floor exposure" EXACT [] is_a: ECTO:0400000 ! exposure to environmental layer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000489 ! has exposure stimulus concrete building floor relationship: RO:0002309 ENVO:01000489 ! has exposure stimulus concrete building floor [Term] id: ECTO:1000006 name: exposure to radiation shielding disposition def: "A exposure event involving the interaction of an exposure receptor to radiation shielding disposition." [] synonym: "radiation shielding disposition exposure" EXACT [] is_a: ECTO:0500000 ! exposure to environmental disposition intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001195 ! has exposure stimulus radiation shielding disposition relationship: RO:0002309 ENVO:01001195 ! has exposure stimulus radiation shielding disposition [Term] id: ECTO:1000007 name: exposure to high temperature environment def: "A exposure event involving the interaction of an exposure receptor to high temperature environment." [] synonym: "high temperature environment exposure" EXACT [] is_a: ECTO:0600000 ! exposure to environmental system intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000305 ! has exposure stimulus high temperature environment relationship: RO:0002309 ENVO:01000305 ! has exposure stimulus high temperature environment [Term] id: ECTO:1000008 name: exposure to gas power station def: "A exposure event involving the interaction of an exposure receptor to gas power station." [] synonym: "gas power station exposure" EXACT [] is_a: ECTO:1000002 ! exposure to fossil fuel power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000039 ! has exposure stimulus gas power station relationship: RO:0002309 ENVO:2000039 ! has exposure stimulus gas power station [Term] id: ECTO:1000009 name: exposure to power plant def: "A exposure event involving the interaction of an exposure receptor to power plant." [] synonym: "power plant exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002214 ! has exposure stimulus power plant relationship: RO:0002309 ENVO:00002214 ! has exposure stimulus power plant [Term] id: ECTO:1000010 name: exposure to geothermal power plant def: "A exposure event involving the interaction of an exposure receptor to geothermal power plant." [] synonym: "geothermal power plant exposure" EXACT [] is_a: ECTO:1000009 ! exposure to power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002215 ! has exposure stimulus geothermal power plant relationship: RO:0002309 ENVO:00002215 ! has exposure stimulus geothermal power plant [Term] id: ECTO:1000011 name: exposure to nuclear power plant def: "A exposure event involving the interaction of an exposure receptor to nuclear power plant." [] synonym: "nuclear power plant exposure" EXACT [] is_a: ECTO:1000009 ! exposure to power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002271 ! has exposure stimulus nuclear power plant relationship: RO:0002309 ENVO:00002271 ! has exposure stimulus nuclear power plant [Term] id: ECTO:1000012 name: exposure to solar power station def: "A exposure event involving the interaction of an exposure receptor to solar power station." [] synonym: "solar power station exposure" EXACT [] is_a: ECTO:1000009 ! exposure to power plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000041 ! has exposure stimulus solar power station relationship: RO:0002309 ENVO:2000041 ! has exposure stimulus solar power station [Term] id: ECTO:1000013 name: exposure to factory def: "A exposure event involving the interaction of an exposure receptor to factory." [] synonym: "factory exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000536 ! has exposure stimulus factory relationship: RO:0002309 ENVO:01000536 ! has exposure stimulus factory [Term] id: ECTO:1000014 name: exposure to waste treatment plant def: "A exposure event involving the interaction of an exposure receptor to waste treatment plant." [] synonym: "waste treatment plant exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002272 ! has exposure stimulus waste treatment plant relationship: RO:0002309 ENVO:00002272 ! has exposure stimulus waste treatment plant [Term] id: ECTO:1000015 name: exposure to wastewater treatment plant def: "A exposure event involving the interaction of an exposure receptor to wastewater treatment plant." [] synonym: "wastewater treatment plant exposure" EXACT [] is_a: ECTO:1000014 ! exposure to waste treatment plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002043 ! has exposure stimulus wastewater treatment plant relationship: RO:0002309 ENVO:00002043 ! has exposure stimulus wastewater treatment plant [Term] id: ECTO:1000016 name: exposure to agricultural wastewater treatment plant def: "A exposure event involving the interaction of an exposure receptor to agricultural wastewater treatment plant." [] synonym: "agricultural wastewater treatment plant exposure" EXACT [] is_a: ECTO:1000015 ! exposure to wastewater treatment plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000003 ! has exposure stimulus agricultural wastewater treatment plant relationship: RO:0002309 ENVO:2000003 ! has exposure stimulus agricultural wastewater treatment plant [Term] id: ECTO:1000017 name: exposure to industrial wastewater treatment plant def: "A exposure event involving the interaction of an exposure receptor to industrial wastewate treatment plant." [] synonym: "industrial wastewate treatment plant exposure" EXACT [] is_a: ECTO:1000015 ! exposure to wastewater treatment plant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:2000002 ! has exposure stimulus industrial wastewate treatment plant relationship: RO:0002309 ENVO:2000002 ! has exposure stimulus industrial wastewate treatment plant [Term] id: ECTO:1000018 name: exposure to extreme high temperature environment def: "A exposure event involving the interaction of an exposure receptor to extreme high temperature environment." [] synonym: "extreme high temperature environment exposure" EXACT [] is_a: ECTO:1000007 ! exposure to high temperature environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000318 ! has exposure stimulus extreme high temperature environment relationship: RO:0002309 ENVO:01000318 ! has exposure stimulus extreme high temperature environment [Term] id: ECTO:1000019 name: exposure to high pressure environment def: "A exposure event involving the interaction of an exposure receptor to high pressure environment." [] synonym: "high pressure environment exposure" EXACT [] is_a: ECTO:0600000 ! exposure to environmental system intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000304 ! has exposure stimulus high pressure environment relationship: RO:0002309 ENVO:01000304 ! has exposure stimulus high pressure environment [Term] id: ECTO:1000020 name: exposure to weather def: "A exposure event involving the interaction of an exposure receptor to the condition of weather." [] synonym: "weather exposure" EXACT [] is_a: ECTO:1000000 ! exposure to environmental condition intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001078 ! has exposure stimulus weather relationship: RO:0002309 ENVO:01001078 ! has exposure stimulus weather [Term] id: ECTO:1000021 name: exposure to construction def: "A exposure event involving the interaction of an exposure receptor to construction." [] synonym: "construction exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001813 ! has exposure stimulus construction relationship: RO:0002309 ENVO:01001813 ! has exposure stimulus construction [Term] id: ECTO:1000022 name: exposure to storm surge def: "A exposure event involving the interaction of an exposure receptor to storm surge." [] synonym: "storm surge exposure" EXACT [] is_a: ECTO:1000030 ! exposure to flood intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000714 ! has exposure stimulus storm surge relationship: RO:0002309 ENVO:01000714 ! has exposure stimulus storm surge [Term] id: ECTO:1000023 name: exposure to icestorm def: "A exposure event involving the interaction of an exposure receptor to icestorm." [] synonym: "icestorm exposure" EXACT [] is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000882 ! has exposure stimulus icestorm relationship: RO:0002309 ENVO:01000882 ! has exposure stimulus icestorm [Term] id: ECTO:1000024 name: exposure to tornado def: "A exposure event involving the interaction of an exposure receptor to tornado." [] synonym: "tornado exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001482 ! has exposure stimulus tornado relationship: RO:0002309 ENVO:01001482 ! has exposure stimulus tornado [Term] id: ECTO:1000025 name: exposure to waterspout def: "A exposure event involving the interaction of an exposure receptor to waterspout." [] synonym: "waterspout exposure" EXACT [] is_a: ECTO:1000024 ! exposure to tornado intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001487 ! has exposure stimulus waterspout relationship: RO:0002309 ENVO:01001487 ! has exposure stimulus waterspout [Term] id: ECTO:1000026 name: exposure to flash flood def: "A exposure event involving the interaction of an exposure receptor to flash flood." [] synonym: "flash flood exposure" EXACT [] is_a: ECTO:1000030 ! exposure to flood intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000713 ! has exposure stimulus flash flood relationship: RO:0002309 ENVO:01000713 ! has exposure stimulus flash flood [Term] id: ECTO:1000027 name: exposure to rain def: "A exposure event involving the interaction of an exposure receptor to rain." [] synonym: "rain exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001564 ! has exposure stimulus rain relationship: RO:0002309 ENVO:01001564 ! has exposure stimulus rain [Term] id: ECTO:1000028 name: exposure to freezing rainfall def: "A exposure event involving the interaction of an exposure receptor to freezing rainfall." [] synonym: "freezing rainfall exposure" EXACT [] is_a: ECTO:1000056 ! exposure to rainfall intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000896 ! has exposure stimulus freezing rainfall relationship: RO:0002309 ENVO:01000896 ! has exposure stimulus freezing rainfall [Term] id: ECTO:1000029 name: exposure to thunderstorm def: "A exposure event involving the interaction of an exposure receptor to thunderstorm." [] synonym: "thunderstorm exposure" EXACT [] is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000878 ! has exposure stimulus thunderstorm relationship: RO:0002309 ENVO:01000878 ! has exposure stimulus thunderstorm [Term] id: ECTO:1000030 name: exposure to flood def: "A exposure event involving the interaction of an exposure receptor to flood." [] synonym: "flood exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000710 ! has exposure stimulus flood relationship: RO:0002309 ENVO:01000710 ! has exposure stimulus flood [Term] id: ECTO:1000031 name: exposure to tropical storm def: "A exposure event involving the interaction of an exposure receptor to tropical storm." [] synonym: "tropical storm exposure" EXACT [] is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001296 ! has exposure stimulus tropical storm relationship: RO:0002309 ENVO:01001296 ! has exposure stimulus tropical storm [Term] id: ECTO:1000032 name: exposure to air conditioning unit def: "A exposure event involving the interaction of an exposure receptor to the condition of air conditioning unit." [] synonym: "air conditioning unit exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002874 ! has exposure stimulus air conditioning unit relationship: RO:0002309 ENVO:00002874 ! has exposure stimulus air conditioning unit [Term] id: ECTO:1000033 name: exposure to abattoir def: "A exposure event involving the interaction of an exposure receptor to abattoir." [] synonym: "abattoir exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000925 ! has exposure stimulus abattoir relationship: RO:0002309 ENVO:01000925 ! has exposure stimulus abattoir [Term] id: ECTO:1000034 name: exposure to farm def: "A exposure event involving the interaction of an exposure receptor to farm." [] synonym: "farm exposure" EXACT [] is_a: ECTO:0600000 ! exposure to environmental system intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00000078 ! has exposure stimulus farm relationship: RO:0002309 ENVO:00000078 ! has exposure stimulus farm [Term] id: ECTO:1000035 name: exposure to hospital def: "A exposure event involving the interaction of an exposure receptor to hospital." [] synonym: "hospital exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002173 ! has exposure stimulus hospital relationship: RO:0002309 ENVO:00002173 ! has exposure stimulus hospital [Term] id: ECTO:1000036 name: exposure to laboratory def: "A exposure event involving the interaction of an exposure receptor to laboratory facility." [] synonym: "laboratory facility exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001406 ! has exposure stimulus laboratory facility relationship: RO:0002309 ENVO:01001406 ! has exposure stimulus laboratory facility [Term] id: ECTO:1000037 name: exposure to office def: "A exposure event involving the interaction of an exposure receptor to office." [] synonym: "office exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001224 ! has exposure stimulus office relationship: RO:0002309 ENVO:01001224 ! has exposure stimulus office [Term] id: ECTO:1000040 name: exposure to restaurant def: "A exposure event involving the interaction of an exposure receptor to restaurant." [] synonym: "restaurant exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000934 ! has exposure stimulus restaurant relationship: RO:0002309 ENVO:01000934 ! has exposure stimulus restaurant [Term] id: ECTO:1000041 name: exposure to retail shop def: "A exposure event involving the interaction of an exposure receptor to shop." [] synonym: "shop exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002221 ! has exposure stimulus shop relationship: RO:0002309 ENVO:00002221 ! has exposure stimulus shop [Term] id: ECTO:1000042 name: exposure to day care building def: "A exposure event involving the interaction of an exposure receptor to day care building." [] synonym: "day care building exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000927 ! has exposure stimulus day care building relationship: RO:0002309 ENVO:01000927 ! has exposure stimulus day care building [Term] id: ECTO:1000056 name: exposure to rainfall def: "A exposure event involving the interaction of an exposure receptor to water-based rainfall." [] synonym: "water-based rainfall exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000830 ! has exposure stimulus water-based rainfall relationship: RO:0002309 ENVO:01000830 ! has exposure stimulus water-based rainfall [Term] id: ECTO:1000121 name: exposure to landspout def: "A exposure event involving the interaction of an exposure receptor to landspout." [] synonym: "landspout exposure" EXACT [] is_a: ECTO:1000024 ! exposure to tornado intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001486 ! has exposure stimulus landspout relationship: RO:0002309 ENVO:01001486 ! has exposure stimulus landspout [Term] id: ECTO:2000000 name: exposure to medical action def: "An exposure to medical action." [] synonym: "exposure to medical action" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000001 ! has exposure stimulus medical action relationship: RO:0002309 MAXO:0000001 ! has exposure stimulus medical action [Term] id: ECTO:2000001 name: exposure to medication for hypertension def: "An exposure to pulmonary antihypertensive agent therapy." [] synonym: "exposure to pulmonary antihypertensive agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000321 ! has exposure stimulus pulmonary antihypertensive agent therapy relationship: RO:0002309 MAXO:0000321 ! has exposure stimulus pulmonary antihypertensive agent therapy [Term] id: ECTO:2000002 name: exposure to dyslipidemic agent therapy def: "An exposure to dyslipidemic agent therapy." [] synonym: "exposure to dyslipidemic agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000189 ! has exposure stimulus dyslipidemic agent therapy relationship: RO:0002309 MAXO:0000189 ! has exposure stimulus dyslipidemic agent therapy [Term] id: ECTO:2000003 name: exposure to blood glucose regulator therapy def: "An exposure to blood glucose regulator therapy." [] synonym: "exposure to blood glucose regulator therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000175 ! has exposure stimulus blood glucose regulator therapy relationship: RO:0002309 MAXO:0000175 ! has exposure stimulus blood glucose regulator therapy [Term] id: ECTO:2000004 name: exposure to theraputic insulin treatment def: "An exposure to therapeutic insulin treatment." [] synonym: "exposure to therapeutic insulin treatment" EXACT [] is_a: ECTO:2000035 ! exposure to glycemic agents intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000259 ! has exposure stimulus therapeutic insulin treatment relationship: RO:0002309 MAXO:0000259 ! has exposure stimulus therapeutic insulin treatment [Term] id: ECTO:2000005 name: exposure to hormone replacement therapy def: "An exposure to sex hormone modifying agent therapy." [] synonym: "exposure to sex hormone modifying agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000282 ! has exposure stimulus sex hormone modifying agent therapy relationship: RO:0002309 MAXO:0000282 ! has exposure stimulus sex hormone modifying agent therapy [Term] id: ECTO:2000006 name: exposure to estrogen modification therapy def: "An exposure to estrogen modifying agent therapy." [] synonym: "exposure to estrogen modifying agent therapy" EXACT [] is_a: ECTO:2000005 ! exposure to hormone replacement therapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000287 ! has exposure stimulus estrogen modifying agent therapy relationship: RO:0002309 MAXO:0000287 ! has exposure stimulus estrogen modifying agent therapy [Term] id: ECTO:2000007 name: exposure to platelet aggregation inhibitors def: "An exposure to platelet aggregation inhibitor therapy." [] synonym: "exposure to platelet aggregation inhibitor therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000180 ! has exposure stimulus platelet aggregation inhibitor therapy relationship: RO:0002309 MAXO:0000180 ! has exposure stimulus platelet aggregation inhibitor therapy [Term] id: ECTO:2000008 name: exposure to antiarrythmic agents def: "An exposure to antiarrythmic agent therapy." [] synonym: "exposure to antiarrythmic agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000185 ! has exposure stimulus antiarrythmic agent therapy relationship: RO:0002309 MAXO:0000185 ! has exposure stimulus antiarrythmic agent therapy [Term] id: ECTO:2000009 name: exposure to antipsychotic medication def: "An exposure to antipsychotic agent therapy." [] synonym: "exposure to antipsychotic agent therapy" EXACT [] is_a: ECTO:2000031 ! exposure to theraputic tranquilizers intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000166 ! has exposure stimulus antipsychotic agent therapy relationship: RO:0002309 MAXO:0000166 ! has exposure stimulus antipsychotic agent therapy [Term] id: ECTO:2000010 name: exposure to calcium channel blocker treatment def: "An exposure to calcium channel blocking agent therapy." [] synonym: "exposure to calcium channel blocking agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000434 ! has exposure stimulus calcium channel blocking agent therapy relationship: RO:0002309 MAXO:0000434 ! has exposure stimulus calcium channel blocking agent therapy [Term] id: ECTO:2000011 name: exposure to NSAIDs def: "An exposure to NSAID therapy." [] synonym: "exposure to NSAID therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000221 ! has exposure stimulus NSAID therapy relationship: RO:0002309 MAXO:0000221 ! has exposure stimulus NSAID therapy [Term] id: ECTO:2000012 name: exposure to H2 blockers def: "An exposure to H2-receptor antagonist agent therapy." [] synonym: "exposure to H2-receptor antagonist agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000269 ! has exposure stimulus H2-receptor antagonist agent therapy relationship: RO:0002309 MAXO:0000269 ! has exposure stimulus H2-receptor antagonist agent therapy [Term] id: ECTO:2000013 name: exposure to theraputic diuretics def: "An exposure to diuretic agent therapy." [] synonym: "exposure to diuretic agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000165 ! has exposure stimulus diuretic agent therapy relationship: RO:0002309 MAXO:0000165 ! has exposure stimulus diuretic agent therapy [Term] id: ECTO:2000014 name: exposure to anticholinergic bronchodilators def: "An exposure to anticholinergic bronchodilator agent therapy." [] synonym: "exposure to anticholinergic bronchodilator agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000317 ! has exposure stimulus anticholinergic bronchodilator agent therapy relationship: RO:0002309 MAXO:0000317 ! has exposure stimulus anticholinergic bronchodilator agent therapy [Term] id: ECTO:2000015 name: exposure to corticosteroid therapy def: "An exposure to corticosteroid agent therapy." [] synonym: "exposure to corticosteroid agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000640 ! has exposure stimulus corticosteroid agent therapy relationship: RO:0002309 MAXO:0000640 ! has exposure stimulus corticosteroid agent therapy [Term] id: ECTO:2000016 name: exposure to MAO inhibitor def: "An exposure to monoamine oxidase inhibitor therapy." [] synonym: "exposure to monoamine oxidase inhibitor therapy" EXACT [] is_a: ECTO:2000017 ! exposure to antidepressants intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000213 ! has exposure stimulus monoamine oxidase inhibitor therapy relationship: RO:0002309 MAXO:0000213 ! has exposure stimulus monoamine oxidase inhibitor therapy [Term] id: ECTO:2000017 name: exposure to antidepressants def: "An exposure to antidepressant agent therapy." [] synonym: "exposure to antidepressant agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000160 ! has exposure stimulus antidepressant agent therapy relationship: RO:0002309 MAXO:0000160 ! has exposure stimulus antidepressant agent therapy [Term] id: ECTO:2000018 name: exposure to phosphodiesterase inhibitors def: "An exposure to phosphodiesterase inhibitor bronchodilator agent therapy." [] synonym: "exposure to phosphodiesterase inhibitor bronchodilator agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000318 ! has exposure stimulus phosphodiesterase inhibitor bronchodilator agent therapy relationship: RO:0002309 MAXO:0000318 ! has exposure stimulus phosphodiesterase inhibitor bronchodilator agent therapy [Term] id: ECTO:2000019 name: exposure to proton pump inhibitors def: "An exposure to proton pump inhibitor agent therapy." [] synonym: "exposure to proton pump inhibitor agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000272 ! has exposure stimulus proton pump inhibitor agent therapy relationship: RO:0002309 MAXO:0000272 ! has exposure stimulus proton pump inhibitor agent therapy [Term] id: ECTO:2000020 name: exposure to progestin treatment def: "An exposure to progestin modifying agent therapy." [] synonym: "exposure to progestin modifying agent therapy" EXACT [] is_a: ECTO:2000005 ! exposure to hormone replacement therapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000288 ! has exposure stimulus progestin modifying agent therapy relationship: RO:0002309 MAXO:0000288 ! has exposure stimulus progestin modifying agent therapy [Term] id: ECTO:2000021 name: exposure to drugs to treat Parkinsons def: "An exposure to antiparkinson agent therapy." [] synonym: "exposure to antiparkinson agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000157 ! has exposure stimulus antiparkinson agent therapy relationship: RO:0002309 MAXO:0000157 ! has exposure stimulus antiparkinson agent therapy [Term] id: ECTO:2000022 name: exposure to vasodilators def: "An exposure to vasodilator agent therapy." [] synonym: "exposure to vasodilator agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000191 ! has exposure stimulus vasodilator agent therapy relationship: RO:0002309 MAXO:0000191 ! has exposure stimulus vasodilator agent therapy [Term] id: ECTO:2000023 name: exposure to sympathomimetic bronchodilators def: "An exposure to sympathomimetic bronchodilator agent therapy." [] synonym: "exposure to sympathomimetic bronchodilator agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000319 ! has exposure stimulus sympathomimetic bronchodilator agent therapy relationship: RO:0002309 MAXO:0000319 ! has exposure stimulus sympathomimetic bronchodilator agent therapy [Term] id: ECTO:2000024 name: exposure to tricyclic antidepressants def: "An exposure to tricyclic antidepressant agent therapy." [] synonym: "exposure to tricyclic antidepressant agent therapy" EXACT [] is_a: ECTO:2000017 ! exposure to antidepressants intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000215 ! has exposure stimulus tricyclic antidepressant agent therapy relationship: RO:0002309 MAXO:0000215 ! has exposure stimulus tricyclic antidepressant agent therapy [Term] id: ECTO:2000025 name: exposure to thyroid-modifying hormonal therapy def: "An exposure to thyroid-modifying hormonal agent therapy." [] synonym: "exposure to thyroid-modifying hormonal agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000284 ! has exposure stimulus thyroid-modifying hormonal agent therapy relationship: RO:0002309 MAXO:0000284 ! has exposure stimulus thyroid-modifying hormonal agent therapy [Term] id: ECTO:2000027 name: exposure to anticoagulants def: "An exposure to anticoagulant agent therapy." [] synonym: "exposure to anticoagulant agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000178 ! has exposure stimulus anticoagulant agent therapy relationship: RO:0002309 MAXO:0000178 ! has exposure stimulus anticoagulant agent therapy [Term] id: ECTO:2000028 name: exposure to sartans def: "An exposure to RAAS inhibitor therapy." [] synonym: "exposure to RAAS inhibitor therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000190 ! has exposure stimulus RAAS inhibitor therapy relationship: RO:0002309 MAXO:0000190 ! has exposure stimulus RAAS inhibitor therapy [Term] id: ECTO:2000029 name: exposure to alpha-blockers def: "An exposure to alpha adrenergic antagonist therapy." [] synonym: "exposure to alpha adrenergic antagonist therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000184 ! has exposure stimulus alpha adrenergic antagonist therapy relationship: RO:0002309 MAXO:0000184 ! has exposure stimulus alpha adrenergic antagonist therapy [Term] id: ECTO:2000030 name: exposure to cholinesterase inhibitor def: "An exposure to cholinesteriase inhibitor therapy." [] synonym: "exposure to cholinesteriase inhibitor therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000210 ! has exposure stimulus cholinesteriase inhibitor therapy relationship: RO:0002309 MAXO:0000210 ! has exposure stimulus cholinesteriase inhibitor therapy [Term] id: ECTO:2000031 name: exposure to theraputic tranquilizers def: "An exposure to tranquilizing agent therapy." [] synonym: "exposure to tranquilizing agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0001023 ! has exposure stimulus tranquilizing agent therapy relationship: RO:0002309 MAXO:0001023 ! has exposure stimulus tranquilizing agent therapy [Term] id: ECTO:2000032 name: exposure to beta-blockers def: "An exposure to beta-adrenergic antagonist therapy." [] synonym: "exposure to beta-adrenergic antagonist therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000187 ! has exposure stimulus beta-adrenergic antagonist therapy relationship: RO:0002309 MAXO:0000187 ! has exposure stimulus beta-adrenergic antagonist therapy [Term] id: ECTO:2000034 name: exposure to antileukotriene agents def: "An exposure to antileukotriene agent therapy." [] synonym: "exposure to antileukotriene agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000315 ! has exposure stimulus antileukotriene agent therapy relationship: RO:0002309 MAXO:0000315 ! has exposure stimulus antileukotriene agent therapy [Term] id: ECTO:2000035 name: exposure to glycemic agents def: "An exposure to glycemic agent therapy." [] synonym: "exposure to glycemic agent therapy" EXACT [] is_a: ECTO:2000003 ! exposure to blood glucose regulator therapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000258 ! has exposure stimulus glycemic agent therapy relationship: RO:0002309 MAXO:0000258 ! has exposure stimulus glycemic agent therapy [Term] id: ECTO:2000036 name: exposure to antigout agent def: "An exposure to uricosuric agent therapy." [] synonym: "exposure to uricosuric agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000164 ! has exposure stimulus uricosuric agent therapy relationship: RO:0002309 MAXO:0000164 ! has exposure stimulus uricosuric agent therapy [Term] id: ECTO:2000037 name: exposure to diagnostic imaging def: "An exposure to Diagnostic Imaging." [] synonym: "exposure to Diagnostic Imaging" EXACT [] is_a: ECTO:6000024 ! exposure to clinical or research activity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16502 ! has exposure stimulus Diagnostic Imaging relationship: RO:0002309 NCIT:C16502 ! has exposure stimulus Diagnostic Imaging [Term] id: ECTO:2000038 name: exposure to ultrasound tomography def: "An exposure to Ultrasound Tomography." [] synonym: "exposure to Ultrasound Tomography" EXACT [] is_a: ECTO:2000037 ! exposure to diagnostic imaging intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C116448 ! has exposure stimulus Ultrasound Tomography relationship: RO:0002309 NCIT:C116448 ! has exposure stimulus Ultrasound Tomography [Term] id: ECTO:2000039 name: exposure to positron emission tomography def: "An exposure to Positron Emission Tomography." [] synonym: "exposure to Positron Emission Tomography" EXACT [] is_a: ECTO:6000024 ! exposure to clinical or research activity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17007 ! has exposure stimulus Positron Emission Tomography relationship: RO:0002309 NCIT:C17007 ! has exposure stimulus Positron Emission Tomography [Term] id: ECTO:2000040 name: exposure to radiography def: "An exposure to X-Ray Imaging." [] synonym: "exposure to X-Ray Imaging" EXACT [] is_a: ECTO:2000037 ! exposure to diagnostic imaging intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38101 ! has exposure stimulus X-Ray Imaging relationship: RO:0002309 NCIT:C38101 ! has exposure stimulus X-Ray Imaging [Term] id: ECTO:2000041 name: exposure to mammography def: "An exposure to Mammography." [] synonym: "exposure to Mammography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16818 ! has exposure stimulus Mammography relationship: RO:0002309 NCIT:C16818 ! has exposure stimulus Mammography [Term] id: ECTO:2000042 name: exposure to xeroradiography def: "An exposure to Xeroradiography." [] synonym: "exposure to Xeroradiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17263 ! has exposure stimulus Xeroradiography relationship: RO:0002309 NCIT:C17263 ! has exposure stimulus Xeroradiography [Term] id: ECTO:2000043 name: exposure to myelography def: "An exposure to Myelography." [] synonym: "exposure to Myelography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C20175 ! has exposure stimulus Myelography relationship: RO:0002309 NCIT:C20175 ! has exposure stimulus Myelography [Term] id: ECTO:2000044 name: exposure to bronchography def: "An exposure to Bronchography." [] synonym: "exposure to Bronchography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38040 ! has exposure stimulus Bronchography relationship: RO:0002309 NCIT:C38040 ! has exposure stimulus Bronchography [Term] id: ECTO:2000045 name: exposure to cystography def: "An exposure to Cystography." [] synonym: "exposure to Cystography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38049 ! has exposure stimulus Cystography relationship: RO:0002309 NCIT:C38049 ! has exposure stimulus Cystography [Term] id: ECTO:2000046 name: exposure to vaginography def: "An exposure to Vaginography." [] synonym: "exposure to Vaginography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38096 ! has exposure stimulus Vaginography relationship: RO:0002309 NCIT:C38096 ! has exposure stimulus Vaginography [Term] id: ECTO:2000047 name: exposure to abdominal radiography def: "An exposure to Abdominal Radiography." [] synonym: "exposure to Abdominal Radiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38102 ! has exposure stimulus Abdominal Radiography relationship: RO:0002309 NCIT:C38102 ! has exposure stimulus Abdominal Radiography [Term] id: ECTO:2000048 name: exposure to chest radiography def: "An exposure to Chest Radiography." [] synonym: "exposure to Chest Radiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C38103 ! has exposure stimulus Chest Radiography relationship: RO:0002309 NCIT:C38103 ! has exposure stimulus Chest Radiography [Term] id: ECTO:2000049 name: exposure to cholangiography def: "An exposure to Cholangiography." [] synonym: "exposure to Cholangiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C61508 ! has exposure stimulus Cholangiography relationship: RO:0002309 NCIT:C61508 ! has exposure stimulus Cholangiography [Term] id: ECTO:2000050 name: exposure to total body radiography def: "An exposure to Total Body Radiography." [] synonym: "exposure to Total Body Radiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C96640 ! has exposure stimulus Total Body Radiography relationship: RO:0002309 NCIT:C96640 ! has exposure stimulus Total Body Radiography [Term] id: ECTO:2000051 name: exposure to angiography def: "An exposure to Angiography." [] synonym: "exposure to Angiography" EXACT [] is_a: ECTO:2000040 ! exposure to radiography intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C20080 ! has exposure stimulus Angiography relationship: RO:0002309 NCIT:C20080 ! has exposure stimulus Angiography [Term] id: ECTO:2000052 name: exposure to radioactivity def: "An exposure to Radioactivity." [] synonym: "exposure to Radioactivity" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17054 ! has exposure stimulus Radioactivity relationship: RO:0002309 NCIT:C17054 ! has exposure stimulus Radioactivity [Term] id: ECTO:2000053 name: exposure to Human Papillomavirus Infection def: "An exposure to Human Papillomavirus Infection." [] synonym: "exposure to Human Papillomavirus Infection" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C27851 ! has exposure stimulus Human Papillomavirus Infection relationship: RO:0002309 NCIT:C27851 ! has exposure stimulus Human Papillomavirus Infection [Term] id: ECTO:2000054 name: exposure to surgery def: "An exposure to surgical procedure." [] synonym: "exposure to surgical procedure" EXACT [] is_a: ECTO:2000000 ! exposure to medical action intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000004 ! has exposure stimulus surgical procedure relationship: RO:0002309 MAXO:0000004 ! has exposure stimulus surgical procedure [Term] id: ECTO:2000055 name: exposure to kidney implantation def: "An exposure to kidney transplantation." [] synonym: "exposure to kidney transplantation" EXACT [] is_a: ECTO:2000056 ! exposure to transplant surgery intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0010043 ! has exposure stimulus kidney transplantation relationship: RO:0002309 MAXO:0010043 ! has exposure stimulus kidney transplantation [Term] id: ECTO:2000056 name: exposure to transplant surgery def: "An exposure to transplantation procedure." [] synonym: "exposure to transplantation procedure" EXACT [] is_a: ECTO:2000054 ! exposure to surgery intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000068 ! has exposure stimulus transplantation procedure relationship: RO:0002309 MAXO:0000068 ! has exposure stimulus transplantation procedure [Term] id: ECTO:2000057 name: exposure to pharmacotherapy def: "An exposure to pharmacotherapy." [] synonym: "exposure to pharmacotherapy" EXACT [] is_a: ECTO:2000000 ! exposure to medical action intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000058 ! has exposure stimulus pharmacotherapy relationship: RO:0002309 MAXO:0000058 ! has exposure stimulus pharmacotherapy [Term] id: ECTO:2000058 name: exposure to blood transfusion def: "An exposure to blood transfusion." [] synonym: "exposure to blood transfusion" EXACT [] is_a: ECTO:2000056 ! exposure to transplant surgery intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000756 ! has exposure stimulus blood transfusion relationship: RO:0002309 MAXO:0000756 ! has exposure stimulus blood transfusion [Term] id: ECTO:2000059 name: exposure to anesthetics def: "An exposure to anesthetic agent therapy." [] synonym: "exposure to anesthetic agent therapy" EXACT [] is_a: ECTO:2000057 ! exposure to pharmacotherapy intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0000170 ! has exposure stimulus anesthetic agent therapy relationship: RO:0002309 MAXO:0000170 ! has exposure stimulus anesthetic agent therapy [Term] id: ECTO:2000060 name: exposure to neck radiograph procedure def: "An exposure to neck radiograph procedure." [] synonym: "exposure to neck radiograph procedure" EXACT [] is_a: ECTO:2000000 ! exposure to medical action intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 MAXO:0010355 ! has exposure stimulus neck radiograph procedure relationship: RO:0002309 MAXO:0010355 ! has exposure stimulus neck radiograph procedure [Term] id: ECTO:3000000 name: exposure to organism def: "A history of exposure to root." [] synonym: "root exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:1 ! has exposure stimulus root relationship: RO:0002309 NCBITaxon:1 ! has exposure stimulus root [Term] id: ECTO:3000001 name: exposure to virus def: "A history of exposure to Viruses." [] synonym: "Viruses exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:10239 ! has exposure stimulus Viruses relationship: RO:0002309 NCBITaxon:10239 ! has exposure stimulus Viruses [Term] id: ECTO:3000002 name: exposure to Enterovirus def: "A history of exposure to Enterovirus." [] synonym: "Enterovirus exposure" EXACT [] is_a: ECTO:3000001 ! exposure to virus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:12059 ! has exposure stimulus Enterovirus relationship: RO:0002309 NCBITaxon:12059 ! has exposure stimulus Enterovirus [Term] id: ECTO:3000003 name: exposure to Helicobacter pylori def: "A history of exposure to Helicobacter pylori." [] synonym: "Helicobacter pylori exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:210 ! has exposure stimulus Helicobacter pylori relationship: RO:0002309 NCBITaxon:210 ! has exposure stimulus Helicobacter pylori [Term] id: ECTO:3000004 name: exposure to Papillomaviridae def: "A history of exposure to Papillomaviridae." [] synonym: "Papillomaviridae exposure" EXACT [] is_a: ECTO:3000001 ! exposure to virus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:151340 ! has exposure stimulus Papillomaviridae relationship: RO:0002309 NCBITaxon:151340 ! has exposure stimulus Papillomaviridae [Term] id: ECTO:3000005 name: exposure to humans def: "A history of exposure to Homo sapiens." [] synonym: "Homo sapiens exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:9606 ! has exposure stimulus Homo sapiens relationship: RO:0002309 NCBITaxon:9606 ! has exposure stimulus Homo sapiens [Term] id: ECTO:3000006 name: exposure to Toxoplasma gondii def: "A history of exposure to Toxoplasma gondii." [] synonym: "Toxoplasma gondii exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:5811 ! has exposure stimulus Toxoplasma gondii relationship: RO:0002309 NCBITaxon:5811 ! has exposure stimulus Toxoplasma gondii [Term] id: ECTO:3000007 name: exposure to Listeria def: "A history of exposure to Listeria." [] synonym: "Listeria exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:1637 ! has exposure stimulus Listeria relationship: RO:0002309 NCBITaxon:1637 ! has exposure stimulus Listeria [Term] id: ECTO:3000008 name: exposure to Salmonella def: "A history of exposure to Salmonella." [] synonym: "Salmonella exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:590 ! has exposure stimulus Salmonella relationship: RO:0002309 NCBITaxon:590 ! has exposure stimulus Salmonella [Term] id: ECTO:3000009 name: exposure to Escherichia coli def: "A history of exposure to Escherichia coli." [] synonym: "Escherichia coli exposure" EXACT [] is_a: ECTO:3000000 ! exposure to organism intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCBITaxon:562 ! has exposure stimulus Escherichia coli relationship: RO:0002309 NCBITaxon:562 ! has exposure stimulus Escherichia coli [Term] id: ECTO:3000010 name: exposure to human patient def: "A history of exposure to http://purl.obolibrary.org/obo/OPMI_0000417." [] synonym: "http://purl.obolibrary.org/obo/OPMI_0000417 exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 OPMI:0000417 ! has exposure stimulus relationship: RO:0002309 OPMI:0000417 ! has exposure stimulus [Term] id: ECTO:4000000 name: exposure to change def: "A exposure event involving the interaction of an exposure receptor to deviation (from_normal) of quality." [] synonym: "exposure to deviation (from_normal) in quality" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000001 name: exposure to increased temperature def: "A exposure event involving the interaction of an exposure receptor to increased temperature." [] synonym: "increased temperature exposure" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001305 ! has exposure stimulus increased temperature relationship: RO:0002309 PATO:0001305 ! has exposure stimulus increased temperature [Term] id: ECTO:4000002 name: exposure to increased salt def: "A exposure event involving the interaction of an exposure receptor to increased amount of salt." [] synonym: "exposure to increased amount in salt" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000003 name: exposure to decreased salt def: "A exposure event involving the interaction of an exposure receptor to decreased amount of salt." [] synonym: "exposure to decreased amount in salt" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000004 name: exposure to increased methane def: "A exposure event involving the interaction of an exposure receptor to increased amount of methane." [] synonym: "exposure to increased amount in methane" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000005 name: exposure to decreased methane def: "A exposure event involving the interaction of an exposure receptor to decreased amount of methane." [] synonym: "exposure to decreased amount in methane" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000006 name: exposure to increased glucose def: "A exposure event involving the interaction of an exposure receptor to increased amount of glucose." [] synonym: "exposure to increased amount in glucose" EXACT [] is_a: ECTO:4000010 ! exposure to increased monosaccharide [Term] id: ECTO:4000007 name: exposure to increased fructose def: "A exposure event involving the interaction of an exposure receptor to increased amount of fructose." [] synonym: "exposure to increased amount in fructose" EXACT [] is_a: ECTO:4000010 ! exposure to increased monosaccharide [Term] id: ECTO:4000008 name: exposure to increased sucrose def: "A exposure event involving the interaction of an exposure receptor to increased amount of sucrose." [] synonym: "exposure to increased amount in sucrose" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000009 name: exposure to increased protein def: "A exposure event involving the interaction of an exposure receptor to increased amount of protein." [] synonym: "exposure to increased amount in protein" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000010 name: exposure to increased monosaccharide def: "A exposure event involving the interaction of an exposure receptor to increased amount of monosaccharide." [] synonym: "exposure to increased amount in monosaccharide" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000011 name: exposure to increased cholesterol def: "A exposure event involving the interaction of an exposure receptor to increased amount of cholesterol." [] synonym: "exposure to increased amount in cholesterol" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000012 name: exposure to increased triglyceride def: "A exposure event involving the interaction of an exposure receptor to increased amount of triglyceride." [] synonym: "exposure to increased amount in triglyceride" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000013 name: exposure to increased low-density lipoprotein def: "A exposure event involving the interaction of an exposure receptor to increased amount of low-density lipoprotein." [] synonym: "exposure to increased amount in low-density lipoprotein" EXACT [] is_a: ECTO:4000009 ! exposure to increased protein [Term] id: ECTO:4000014 name: exposure to increased high-density lipoprotein def: "A exposure event involving the interaction of an exposure receptor to increased amount of high-density lipoprotein." [] synonym: "exposure to increased amount in high-density lipoprotein" EXACT [] is_a: ECTO:4000009 ! exposure to increased protein [Term] id: ECTO:4000015 name: exposure to decreased glucose def: "A exposure event involving the interaction of an exposure receptor to decreased amount of glucose." [] synonym: "exposure to decreased amount in glucose" EXACT [] is_a: ECTO:4000019 ! exposure to decreased monosaccharide [Term] id: ECTO:4000016 name: exposure to decreased fructose def: "A exposure event involving the interaction of an exposure receptor to decreased amount of fructose." [] synonym: "exposure to decreased amount in fructose" EXACT [] is_a: ECTO:4000019 ! exposure to decreased monosaccharide [Term] id: ECTO:4000017 name: exposure to decreased sucrose def: "A exposure event involving the interaction of an exposure receptor to decreased amount of sucrose." [] synonym: "exposure to decreased amount in sucrose" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000018 name: exposure to decreased protein def: "A exposure event involving the interaction of an exposure receptor to decreased amount of protein." [] synonym: "exposure to decreased amount in protein" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000019 name: exposure to decreased monosaccharide def: "A exposure event involving the interaction of an exposure receptor to decreased amount of monosaccharide." [] synonym: "exposure to decreased amount in monosaccharide" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000020 name: exposure to decreased cholesterol def: "A exposure event involving the interaction of an exposure receptor to decreased amount of cholesterol." [] synonym: "exposure to decreased amount in cholesterol" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000021 name: exposure to decreased triglyceride def: "A exposure event involving the interaction of an exposure receptor to decreased amount of triglyceride." [] synonym: "exposure to decreased amount in triglyceride" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality [Term] id: ECTO:4000022 name: exposure to decreased low-density lipoprotein def: "A exposure event involving the interaction of an exposure receptor to decreased amount of low-density lipoprotein." [] synonym: "exposure to decreased amount in low-density lipoprotein" EXACT [] is_a: ECTO:4000018 ! exposure to decreased protein [Term] id: ECTO:4000023 name: exposure to decreased high-density lipoprotein def: "A exposure event involving the interaction of an exposure receptor to decreased amount of high-density lipoprotein." [] synonym: "exposure to decreased amount in high-density lipoprotein" EXACT [] is_a: ECTO:4000018 ! exposure to decreased protein [Term] id: ECTO:4000024 name: exposure to increased air pressure def: "A exposure event involving the interaction of an exposure receptor to increased amount of pressure of air." [] synonym: "exposure to increased amount in pressure of air" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000025 name: exposure to increased pressure def: "A exposure event involving the interaction of an exposure receptor to increased pressure." [] synonym: "increased pressure exposure" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001576 ! has exposure stimulus increased pressure relationship: RO:0002309 PATO:0001576 ! has exposure stimulus increased pressure [Term] id: ECTO:4000026 name: exposure to decreased pressure def: "A exposure event involving the interaction of an exposure receptor to decreased pressure." [] synonym: "decreased pressure exposure" EXACT [] is_a: ECTO:0010001 ! exposure to qualitative environmental quality is_a: ECTO:0010003 ! exposure to environmental physical object quality intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 PATO:0001575 ! has exposure stimulus decreased pressure relationship: RO:0002309 PATO:0001575 ! has exposure stimulus decreased pressure [Term] id: ECTO:4000027 name: exposure to freezing water def: "A exposure event involving the interaction of an exposure receptor to frozen of liquid water." [] synonym: "exposure to frozen in liquid water" EXACT [] is_a: ECTO:0000979 ! exposure to temperature of environmental surroundings [Term] id: ECTO:4000028 name: exposure to freezing air def: "A exposure event involving the interaction of an exposure receptor to frozen of air." [] synonym: "exposure to frozen in air" EXACT [] is_a: ECTO:0000980 ! exposure to temperature of air in surroundings [Term] id: ECTO:4000029 name: exposure to increased soil temperature def: "A exposure event involving the interaction of an exposure receptor to increased amount of temperature of soil." [] synonym: "exposure to increased amount in temperature of soil" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000030 name: exposure to decreased soil temperature def: "A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of soil." [] synonym: "exposure to decreased amount in temperature of soil" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000031 name: exposure to increased water temperature def: "A exposure event involving the interaction of an exposure receptor to increased amount of temperature of water." [] synonym: "exposure to increased amount in temperature of water" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000032 name: exposure to decreased water temperature def: "A exposure event involving the interaction of an exposure receptor to decreased amount of temperature of water." [] synonym: "exposure to decreased amount in temperature of water" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000033 name: exposure to decreased water pressure def: "A exposure event involving the interaction of an exposure receptor to decreased amount of pressure of water." [] synonym: "exposure to decreased amount in pressure of water" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000034 name: exposure to increased air temperature def: "A exposure event involving the interaction of an exposure receptor to increased amount of temperature of air." [] synonym: "exposure to increased amount in temperature of air" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000035 name: exposure to increased water pressure def: "A exposure event involving the interaction of an exposure receptor to increased amount of pressure of water." [] synonym: "exposure to increased amount in pressure of water" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:4000036 name: exposure to decreased air pressure def: "A exposure event involving the interaction of an exposure receptor to decreased amount of pressure of air." [] synonym: "exposure to decreased amount in pressure of air" EXACT [] is_a: ECTO:4000000 ! exposure to change [Term] id: ECTO:5000000 name: exposure to geographic feature def: "A exposure event involving the interaction of an exposure receptor to geographic feature." [] synonym: "geographic feature exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00000000 ! has exposure stimulus geographic feature relationship: RO:0002309 ENVO:00000000 ! has exposure stimulus geographic feature [Term] id: ECTO:5000001 name: exposure to sidewalks def: "A exposure event involving the interaction of an exposure receptor to sidewalk." [] synonym: "sidewalk exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001279 ! has exposure stimulus sidewalk relationship: RO:0002309 ENVO:01001279 ! has exposure stimulus sidewalk [Term] id: ECTO:5000002 name: exposure to public swimming pool def: "A exposure event involving the interaction of an exposure receptor to public swimming pool." [] synonym: "public swimming pool exposure" EXACT [] is_a: ECTO:1000021 ! exposure to construction intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000967 ! has exposure stimulus public swimming pool relationship: RO:0002309 ENVO:01000967 ! has exposure stimulus public swimming pool [Term] id: ECTO:5000003 name: exposure to mine drainage def: "A exposure event involving the interaction of an exposure receptor to mine drainage." [] synonym: "mine drainage exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00001996 ! has exposure stimulus mine drainage relationship: RO:0002309 ENVO:00001996 ! has exposure stimulus mine drainage [Term] id: ECTO:5000004 name: exposure to acid mine drainage def: "A exposure event involving the interaction of an exposure receptor to acid mine drainage." [] synonym: "acid mine drainage exposure" EXACT [] is_a: ECTO:5000003 ! exposure to mine drainage intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00001997 ! has exposure stimulus acid mine drainage relationship: RO:0002309 ENVO:00001997 ! has exposure stimulus acid mine drainage [Term] id: ECTO:5000005 name: exposure to gold mine drainage def: "A exposure event involving the interaction of an exposure receptor to gold mine drainage." [] synonym: "gold mine drainage exposure" EXACT [] is_a: ECTO:5000003 ! exposure to mine drainage intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002112 ! has exposure stimulus gold mine drainage relationship: RO:0002309 ENVO:00002112 ! has exposure stimulus gold mine drainage [Term] id: ECTO:5000006 name: exposure to gold mine def: "A exposure event involving the interaction of an exposure receptor to gold mine." [] synonym: "gold mine exposure" EXACT [] is_a: ECTO:1000003 ! exposure to mine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002168 ! has exposure stimulus gold mine relationship: RO:0002309 ENVO:00002168 ! has exposure stimulus gold mine [Term] id: ECTO:5000007 name: exposure to coal mine def: "A exposure event involving the interaction of an exposure receptor to coal mine." [] synonym: "coal mine exposure" EXACT [] is_a: ECTO:1000003 ! exposure to mine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002169 ! has exposure stimulus coal mine relationship: RO:0002309 ENVO:00002169 ! has exposure stimulus coal mine [Term] id: ECTO:5000008 name: exposure to petting zoo def: "A exposure event involving the interaction of an exposure receptor to petting zoo." [] synonym: "petting zoo exposure" EXACT [] is_a: ECTO:5000000 ! exposure to geographic feature intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000923 ! has exposure stimulus petting zoo relationship: RO:0002309 ENVO:01000923 ! has exposure stimulus petting zoo [Term] id: ECTO:5000009 name: exposure to campground def: "A exposure event involving the interaction of an exposure receptor to campground." [] synonym: "campground exposure" EXACT [] is_a: ECTO:5000000 ! exposure to geographic feature intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000935 ! has exposure stimulus campground relationship: RO:0002309 ENVO:01000935 ! has exposure stimulus campground [Term] id: ECTO:6000000 name: exposure to behavior def: "An exposure event involving Activity" [] synonym: "Activity exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C43431 ! has exposure stimulus Activity relationship: RO:0002309 NCIT:C43431 ! has exposure stimulus Activity [Term] id: ECTO:6000001 name: exposure to violence def: "An exposure event involving Violence" [] synonym: "Violence exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C93214 ! has exposure stimulus Violence relationship: RO:0002309 NCIT:C93214 ! has exposure stimulus Violence [Term] id: ECTO:6000002 name: exposure to exercise def: "An exposure event involving Exercise" [] synonym: "Exercise exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16567 ! has exposure stimulus Exercise relationship: RO:0002309 NCIT:C16567 ! has exposure stimulus Exercise [Term] id: ECTO:6000003 name: exposure to walking def: "An exposure event involving Walking" [] synonym: "Walking exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C73554 ! has exposure stimulus Walking relationship: RO:0002309 NCIT:C73554 ! has exposure stimulus Walking [Term] id: ECTO:6000004 name: exposure to sedentary lifestyle def: "An exposure event involving Sedentary Lifestyle" [] synonym: "Sedentary Lifestyle exposure" EXACT [] is_a: ECTO:6000015 ! exposure to lifestyle intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C86589 ! has exposure stimulus Sedentary Lifestyle relationship: RO:0002309 NCIT:C86589 ! has exposure stimulus Sedentary Lifestyle [Term] id: ECTO:6000005 name: exposure to coping skills def: "An exposure event involving Coping Skills" [] synonym: "Coping Skills exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C19382 ! has exposure stimulus Coping Skills relationship: RO:0002309 NCIT:C19382 ! has exposure stimulus Coping Skills [Term] id: ECTO:6000006 name: exposure to sex behavior def: "An exposure event involving Sex Behavior" [] synonym: "Sex Behavior exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17127 ! has exposure stimulus Sex Behavior relationship: RO:0002309 NCIT:C17127 ! has exposure stimulus Sex Behavior [Term] id: ECTO:6000007 name: exposure to substance abuse def: "An exposure event involving Substance Abuse" [] synonym: "Substance Abuse exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C18272 ! has exposure stimulus Substance Abuse relationship: RO:0002309 NCIT:C18272 ! has exposure stimulus Substance Abuse [Term] id: ECTO:6000008 name: exposure to drug abuse def: "An exposure event involving Drug Abuse" [] synonym: "Drug Abuse exposure" EXACT [] is_a: ECTO:6000007 ! exposure to substance abuse intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16522 ! has exposure stimulus Drug Abuse relationship: RO:0002309 NCIT:C16522 ! has exposure stimulus Drug Abuse [Term] id: ECTO:6000009 name: exposure to alcohol abuse def: "An exposure event involving Alcohol Abuse" [] synonym: "Alcohol Abuse exposure" EXACT [] is_a: ECTO:6000007 ! exposure to substance abuse intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C20701 ! has exposure stimulus Alcohol Abuse relationship: RO:0002309 NCIT:C20701 ! has exposure stimulus Alcohol Abuse [Term] id: ECTO:6000010 name: exposure to social networking def: "An exposure event involving Social Networking" [] synonym: "Social Networking exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C19035 ! has exposure stimulus Social Networking relationship: RO:0002309 NCIT:C19035 ! has exposure stimulus Social Networking [Term] id: ECTO:6000011 name: exposure to risk reduction def: "An exposure event involving Risk Reduction" [] synonym: "Risk Reduction exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C19694 ! has exposure stimulus Risk Reduction relationship: RO:0002309 NCIT:C19694 ! has exposure stimulus Risk Reduction [Term] id: ECTO:6000012 name: exposure to flame-broiling def: "An exposure event involving Flame-Broiling" [] synonym: "Flame-Broiling exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C20026 ! has exposure stimulus Flame-Broiling relationship: RO:0002309 NCIT:C20026 ! has exposure stimulus Flame-Broiling [Term] id: ECTO:6000013 name: exposure to smoking def: "An exposure event involving Smoking" [] synonym: "Smoking exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C154329 ! has exposure stimulus Smoking relationship: RO:0002309 NCIT:C154329 ! has exposure stimulus Smoking [Term] id: ECTO:6000014 name: exposure to smoking cessation def: "An exposure event involving Smoking Cessation" [] synonym: "Smoking Cessation exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17427 ! has exposure stimulus Smoking Cessation relationship: RO:0002309 NCIT:C17427 ! has exposure stimulus Smoking Cessation [Term] id: ECTO:6000015 name: exposure to lifestyle def: "An exposure event involving Lifestyle" [] synonym: "Lifestyle exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16795 ! has exposure stimulus Lifestyle relationship: RO:0002309 NCIT:C16795 ! has exposure stimulus Lifestyle [Term] id: ECTO:6000016 name: exposure to personal behavior def: "An exposure event involving Personal Behavior" [] synonym: "Personal Behavior exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C19683 ! has exposure stimulus Personal Behavior relationship: RO:0002309 NCIT:C19683 ! has exposure stimulus Personal Behavior [Term] id: ECTO:6000017 name: obsolete exposure to dietary practices is_obsolete: true [Term] id: ECTO:6000018 name: obsolete exposure to red meat consumption is_obsolete: true replaced_by: ECTO:0700003 [Term] id: ECTO:6000019 name: obsolete exposure to high vegetable diet is_obsolete: true replaced_by: ECTO:0030001 [Term] id: ECTO:6000020 name: obsolete exposure to feeding regimen is_obsolete: true [Term] id: ECTO:6000021 name: exposure to eating behavior def: "An exposure event involving Dietary Practices" [] synonym: "Dietary Practices exposure" EXACT [] is_a: ECTO:6000016 ! exposure to personal behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C19706 ! has exposure stimulus Dietary Practices relationship: RO:0002309 NCIT:C19706 ! has exposure stimulus Dietary Practices [Term] id: ECTO:6000022 name: exposure to drinking behavior def: "An exposure event involving drinking behavior" [] synonym: "drinking behavior exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 GO:0042756 ! has exposure stimulus drinking behavior relationship: RO:0002309 GO:0042756 ! has exposure stimulus drinking behavior [Term] id: ECTO:6000023 name: exposure to food processing behavior def: "An exposure event involving Food Preparation" [] synonym: "Food Preparation exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17604 ! has exposure stimulus Food Preparation relationship: RO:0002309 NCIT:C17604 ! has exposure stimulus Food Preparation [Term] id: ECTO:6000024 name: exposure to clinical or research activity def: "An exposure event involving Clinical or Research Activity" [] synonym: "Clinical or Research Activity exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C16203 ! has exposure stimulus Clinical or Research Activity relationship: RO:0002309 NCIT:C16203 ! has exposure stimulus Clinical or Research Activity [Term] id: ECTO:6000025 name: exposure to unemployment def: "An exposure event involving Unemployed" [] synonym: "Unemployed exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C75563 ! has exposure stimulus Unemployed relationship: RO:0002309 NCIT:C75563 ! has exposure stimulus Unemployed [Term] id: ECTO:6000026 name: exposure to poverty def: "An exposure event involving Poverty" [] synonym: "Poverty exposure" EXACT [] is_a: ECTO:6000028 ! exposure to socioeconomic factors intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17009 ! has exposure stimulus Poverty relationship: RO:0002309 NCIT:C17009 ! has exposure stimulus Poverty [Term] id: ECTO:6000027 name: exposure to social circumstances def: "An exposure event involving Social Circumstances" [] synonym: "Social Circumstances exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C20188 ! has exposure stimulus Social Circumstances relationship: RO:0002309 NCIT:C20188 ! has exposure stimulus Social Circumstances [Term] id: ECTO:6000028 name: exposure to socioeconomic factors def: "An exposure event involving Socioeconomic Factors" [] synonym: "Socioeconomic Factors exposure" EXACT [] is_a: ECTO:6000027 ! exposure to social circumstances intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17468 ! has exposure stimulus Socioeconomic Factors relationship: RO:0002309 NCIT:C17468 ! has exposure stimulus Socioeconomic Factors [Term] id: ECTO:6000029 name: exposure to tobacco smoking def: "An exposure event involving Tobacco Smoking" [] synonym: "Tobacco Smoking exposure" EXACT [] is_a: ECTO:6000013 ! exposure to smoking intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C17934 ! has exposure stimulus Tobacco Smoking relationship: RO:0002309 NCIT:C17934 ! has exposure stimulus Tobacco Smoking [Term] id: ECTO:6000030 name: exposure to hunting def: "An exposure event involving hunting behavior" [] synonym: "hunting behavior exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NBO:0009003 ! has exposure stimulus hunting behavior relationship: RO:0002309 NBO:0009003 ! has exposure stimulus hunting behavior [Term] id: ECTO:6000031 name: exposure to strenuous exercise def: "An exposure event involving Strenuous Exercise" [] synonym: "Strenuous Exercise exposure" EXACT [] is_a: ECTO:6000002 ! exposure to exercise intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C39773 ! has exposure stimulus Strenuous Exercise relationship: RO:0002309 NCIT:C39773 ! has exposure stimulus Strenuous Exercise [Term] id: ECTO:6000032 name: exposure to weight bearing def: "An exposure event involving Weight Bearing" [] synonym: "Weight Bearing exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C178214 ! has exposure stimulus Weight Bearing relationship: RO:0002309 NCIT:C178214 ! has exposure stimulus Weight Bearing [Term] id: ECTO:6000033 name: exposure to travel def: "An exposure event involving Travel" [] synonym: "Travel exposure" EXACT [] is_a: ECTO:6000000 ! exposure to behavior intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 NCIT:C53462 ! has exposure stimulus Travel relationship: RO:0002309 NCIT:C53462 ! has exposure stimulus Travel [Term] id: ECTO:7000001 name: exposure to dust def: "A exposure event involving the interaction of an exposure receptor to dust." [] synonym: "dust exposure" EXACT [] is_a: ECTO:7000068 ! exposure to particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002008 ! has exposure stimulus dust relationship: RO:0002309 ENVO:00002008 ! has exposure stimulus dust [Term] id: ECTO:7000002 name: exposure to fumes def: "A exposure event involving the interaction of an exposure receptor to fume." [] synonym: "fume exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000112 ! has exposure stimulus fume relationship: RO:0002309 ENVO:02000112 ! has exposure stimulus fume [Term] id: ECTO:7000003 name: exposure to smog def: "A exposure event involving the interaction of an exposure receptor to smog." [] synonym: "smog exposure" EXACT [] is_a: ECTO:7000114 ! exposure to aerosol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000842 ! has exposure stimulus smog relationship: RO:0002309 ENVO:01000842 ! has exposure stimulus smog [Term] id: ECTO:7000004 name: exposure to coal def: "A exposure event involving the interaction of an exposure receptor to coal." [] synonym: "coal exposure" EXACT [] is_a: ECTO:7000018 ! exposure to rock intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000091 ! has exposure stimulus coal relationship: RO:0002309 ENVO:02000091 ! has exposure stimulus coal [Term] id: ECTO:7000005 name: exposure to coal dust def: "A exposure event involving the interaction of an exposure receptor to coal dust." [] synonym: "coal dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000099 ! has exposure stimulus coal dust relationship: RO:0002309 ENVO:02000099 ! has exposure stimulus coal dust [Term] id: ECTO:7000006 name: exposure to coal mine waste material def: "A exposure event involving the interaction of an exposure receptor to coal mine waste material." [] synonym: "coal mine waste material exposure" EXACT [] is_a: ECTO:7000094 ! exposure to industrial waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002206 ! has exposure stimulus coal mine waste material relationship: RO:0002309 ENVO:00002206 ! has exposure stimulus coal mine waste material [Term] id: ECTO:7000007 name: exposure to self-heating coal mine waste material def: "A exposure event involving the interaction of an exposure receptor to self-heating coal mine waste material." [] synonym: "self-heating coal mine waste material exposure" EXACT [] is_a: ECTO:7000006 ! exposure to coal mine waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002207 ! has exposure stimulus self-heating coal mine waste material relationship: RO:0002309 ENVO:00002207 ! has exposure stimulus self-heating coal mine waste material [Term] id: ECTO:7000008 name: exposure to clay def: "A exposure event involving the interaction of an exposure receptor to clay." [] synonym: "clay exposure" EXACT [] is_a: ECTO:7000068 ! exposure to particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002982 ! has exposure stimulus clay relationship: RO:0002309 ENVO:00002982 ! has exposure stimulus clay [Term] id: ECTO:7000009 name: exposure to clay dust def: "A exposure event involving the interaction of an exposure receptor to clay dust." [] synonym: "clay dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000105 ! has exposure stimulus clay dust relationship: RO:0002309 ENVO:02000105 ! has exposure stimulus clay dust [Term] id: ECTO:7000010 name: exposure to brick def: "A exposure event involving the interaction of an exposure receptor to brick." [] synonym: "brick exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000475 ! has exposure stimulus brick relationship: RO:0002309 ENVO:01000475 ! has exposure stimulus brick [Term] id: ECTO:7000011 name: exposure to brick material def: "A exposure event involving the interaction of an exposure receptor to brick material." [] synonym: "brick material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000474 ! has exposure stimulus brick material relationship: RO:0002309 ENVO:01000474 ! has exposure stimulus brick material [Term] id: ECTO:7000012 name: exposure to soil def: "A exposure event involving the interaction of an exposure receptor to soil." [] synonym: "soil exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00001998 ! has exposure stimulus soil relationship: RO:0002309 ENVO:00001998 ! has exposure stimulus soil [Term] id: ECTO:7000013 name: exposure to asphalt def: "A exposure event involving the interaction of an exposure receptor to asphalt." [] synonym: "asphalt exposure" EXACT [] is_a: ECTO:7000105 ! exposure to petroleum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000460 ! has exposure stimulus asphalt relationship: RO:0002309 ENVO:01000460 ! has exposure stimulus asphalt [Term] id: ECTO:7000014 name: exposure to refined asphalt def: "A exposure event involving the interaction of an exposure receptor to refined asphalt." [] synonym: "refined asphalt exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000461 ! has exposure stimulus refined asphalt relationship: RO:0002309 ENVO:01000461 ! has exposure stimulus refined asphalt [Term] id: ECTO:7000015 name: exposure to asphalt concrete def: "A exposure event involving the interaction of an exposure receptor to asphalt concrete." [] synonym: "asphalt concrete exposure" EXACT [] is_a: ECTO:7000037 ! exposure to concrete intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000459 ! has exposure stimulus asphalt concrete relationship: RO:0002309 ENVO:01000459 ! has exposure stimulus asphalt concrete [Term] id: ECTO:7000016 name: exposure to glass def: "A exposure event involving the interaction of an exposure receptor to glass." [] synonym: "glass exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000480 ! has exposure stimulus glass relationship: RO:0002309 ENVO:01000480 ! has exposure stimulus glass [Term] id: ECTO:7000017 name: exposure to fibrous glass dust def: "A exposure event involving the interaction of an exposure receptor to fibrous glass dust." [] synonym: "fibrous glass dust exposure" EXACT [] is_a: ECTO:7000022 ! exposure to fibrous dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000102 ! has exposure stimulus fibrous glass dust relationship: RO:0002309 ENVO:02000102 ! has exposure stimulus fibrous glass dust [Term] id: ECTO:7000018 name: exposure to rock def: "A exposure event involving the interaction of an exposure receptor to rock." [] synonym: "rock exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00001995 ! has exposure stimulus rock relationship: RO:0002309 ENVO:00001995 ! has exposure stimulus rock [Term] id: ECTO:7000019 name: exposure to ore def: "A exposure event involving the interaction of an exposure receptor to ore." [] synonym: "ore exposure" EXACT [] is_a: ECTO:7000018 ! exposure to rock intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000094 ! has exposure stimulus ore relationship: RO:0002309 ENVO:02000094 ! has exposure stimulus ore [Term] id: ECTO:7000020 name: exposure to sand def: "A exposure event involving the interaction of an exposure receptor to sand." [] synonym: "sand exposure" EXACT [] is_a: ECTO:7000068 ! exposure to particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000017 ! has exposure stimulus sand relationship: RO:0002309 ENVO:01000017 ! has exposure stimulus sand [Term] id: ECTO:7000021 name: exposure to metallic dust def: "A exposure event involving the interaction of an exposure receptor to metallic dust." [] synonym: "metallic dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000103 ! has exposure stimulus metallic dust relationship: RO:0002309 ENVO:02000103 ! has exposure stimulus metallic dust [Term] id: ECTO:7000022 name: exposure to fibrous dust def: "A exposure event involving the interaction of an exposure receptor to fibrous dust." [] synonym: "fibrous dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000101 ! has exposure stimulus fibrous dust relationship: RO:0002309 ENVO:02000101 ! has exposure stimulus fibrous dust [Term] id: ECTO:7000023 name: exposure to mineral dust def: "A exposure event involving the interaction of an exposure receptor to mineral dust." [] synonym: "mineral dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust is_a: ECTO:7000073 ! exposure to mineral material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000100 ! has exposure stimulus mineral dust relationship: RO:0002309 ENVO:02000100 ! has exposure stimulus mineral dust [Term] id: ECTO:7000024 name: exposure to grain dust def: "A exposure event involving the interaction of an exposure receptor to grain dust." [] synonym: "grain dust exposure" EXACT [] is_a: ECTO:7000033 ! exposure to dust from plant parts intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000107 ! has exposure stimulus grain dust relationship: RO:0002309 ENVO:02000107 ! has exposure stimulus grain dust [Term] id: ECTO:7000025 name: exposure to asbestos dust def: "A exposure event involving the interaction of an exposure receptor to asbestos dust." [] synonym: "asbestos dust exposure" EXACT [] is_a: ECTO:7000022 ! exposure to fibrous dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000106 ! has exposure stimulus asbestos dust relationship: RO:0002309 ENVO:02000106 ! has exposure stimulus asbestos dust [Term] id: ECTO:7000026 name: exposure to cement dust def: "A exposure event involving the interaction of an exposure receptor to cement dust." [] synonym: "cement dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000104 ! has exposure stimulus cement dust relationship: RO:0002309 ENVO:02000104 ! has exposure stimulus cement dust [Term] id: ECTO:7000027 name: exposure to slate dust def: "A exposure event involving the interaction of an exposure receptor to slate dust." [] synonym: "slate dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001286 ! has exposure stimulus slate dust relationship: RO:0002309 ENVO:01001286 ! has exposure stimulus slate dust [Term] id: ECTO:7000028 name: exposure to talc dust def: "A exposure event involving the interaction of an exposure receptor to talc dust." [] synonym: "talc dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001285 ! has exposure stimulus talc dust relationship: RO:0002309 ENVO:01001285 ! has exposure stimulus talc dust [Term] id: ECTO:7000029 name: exposure to kaolin dust def: "A exposure event involving the interaction of an exposure receptor to kaolin dust." [] synonym: "kaolin dust exposure" EXACT [] is_a: ECTO:7000023 ! exposure to mineral dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001288 ! has exposure stimulus kaolin dust relationship: RO:0002309 ENVO:01001288 ! has exposure stimulus kaolin dust [Term] id: ECTO:7000030 name: exposure to silica dust def: "A exposure event involving the interaction of an exposure receptor to silica dust." [] synonym: "silica dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001282 ! has exposure stimulus silica dust relationship: RO:0002309 ENVO:01001282 ! has exposure stimulus silica dust [Term] id: ECTO:7000031 name: exposure to barium dust def: "A exposure event involving the interaction of an exposure receptor to barium dust." [] synonym: "barium dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001284 ! has exposure stimulus barium dust relationship: RO:0002309 ENVO:01001284 ! has exposure stimulus barium dust [Term] id: ECTO:7000032 name: exposure to aluminum dust def: "A exposure event involving the interaction of an exposure receptor to aluminium dust." [] synonym: "aluminium dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust is_a: ECTO:7000073 ! exposure to mineral material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001283 ! has exposure stimulus aluminium dust relationship: RO:0002309 ENVO:01001283 ! has exposure stimulus aluminium dust [Term] id: ECTO:7000033 name: exposure to dust from plant parts def: "A exposure event involving the interaction of an exposure receptor to dust from plant parts." [] synonym: "dust from plant parts exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000109 ! has exposure stimulus dust from plant parts relationship: RO:0002309 ENVO:02000109 ! has exposure stimulus dust from plant parts [Term] id: ECTO:7000034 name: exposure to wood def: "A exposure event involving the interaction of an exposure receptor to wood." [] synonym: "wood exposure" EXACT [] is_a: ECTO:7000069 ! exposure to organic material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002040 ! has exposure stimulus wood relationship: RO:0002309 ENVO:00002040 ! has exposure stimulus wood [Term] id: ECTO:7000035 name: exposure to treated wood def: "A exposure event involving the interaction of an exposure receptor to treated wood." [] synonym: "treated wood exposure" EXACT [] is_a: ECTO:7000034 ! exposure to wood intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002135 ! has exposure stimulus treated wood relationship: RO:0002309 ENVO:00002135 ! has exposure stimulus treated wood [Term] id: ECTO:7000036 name: exposure to charcoal def: "A exposure event involving the interaction of an exposure receptor to charcoal." [] synonym: "charcoal exposure" EXACT [] is_a: ECTO:7000069 ! exposure to organic material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000560 ! has exposure stimulus charcoal relationship: RO:0002309 ENVO:01000560 ! has exposure stimulus charcoal [Term] id: ECTO:7000037 name: exposure to concrete def: "A exposure event involving the interaction of an exposure receptor to concrete." [] synonym: "concrete exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000458 ! has exposure stimulus concrete relationship: RO:0002309 ENVO:01000458 ! has exposure stimulus concrete [Term] id: ECTO:7000038 name: exposure to plaster def: "A exposure event involving the interaction of an exposure receptor to plaster." [] synonym: "plaster exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000476 ! has exposure stimulus plaster relationship: RO:0002309 ENVO:01000476 ! has exposure stimulus plaster [Term] id: ECTO:7000039 name: exposure to cement plaster def: "A exposure event involving the interaction of an exposure receptor to cement plaster." [] synonym: "cement plaster exposure" EXACT [] is_a: ECTO:7000038 ! exposure to plaster intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000478 ! has exposure stimulus cement plaster relationship: RO:0002309 ENVO:01000478 ! has exposure stimulus cement plaster [Term] id: ECTO:7000040 name: exposure to lime plaster def: "A exposure event involving the interaction of an exposure receptor to lime plaster." [] synonym: "lime plaster exposure" EXACT [] is_a: ECTO:7000038 ! exposure to plaster intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000479 ! has exposure stimulus lime plaster relationship: RO:0002309 ENVO:01000479 ! has exposure stimulus lime plaster [Term] id: ECTO:7000042 name: exposure to particle radiation def: "A exposure event involving the interaction of an exposure receptor to particle radiation." [] synonym: "particle radiation exposure" EXACT [] is_a: ECTO:0000001 ! exposure to radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001024 ! has exposure stimulus particle radiation relationship: RO:0002309 ENVO:01001024 ! has exposure stimulus particle radiation [Term] id: ECTO:7000045 name: exposure to stellar radiation def: "A exposure event involving the interaction of an exposure receptor to stellar radiation." [] synonym: "stellar radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001211 ! has exposure stimulus stellar radiation relationship: RO:0002309 ENVO:01001211 ! has exposure stimulus stellar radiation [Term] id: ECTO:7000047 name: exposure to ionizing radiation def: "A exposure event involving the interaction of an exposure receptor to ionizing radiation." [] synonym: "ionizing radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001219 ! has exposure stimulus ionizing radiation relationship: RO:0002309 ENVO:21001219 ! has exposure stimulus ionizing radiation [Term] id: ECTO:7000050 name: exposure to particle beam radiation def: "A exposure event involving the interaction of an exposure receptor to particle beam radiation." [] synonym: "particle beam radiation exposure" EXACT [] is_a: ECTO:7000042 ! exposure to particle radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001025 ! has exposure stimulus particle beam radiation relationship: RO:0002309 ENVO:01001025 ! has exposure stimulus particle beam radiation [Term] id: ECTO:7000053 name: obsolete exposure to X-ray radiation is_obsolete: true replaced_by: ECTO:8000046 [Term] id: ECTO:7000055 name: exposure to liquefied natural gas def: "A exposure event involving the interaction of an exposure receptor to liquefied natural gas." [] synonym: "liquefied natural gas exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000557 ! has exposure stimulus liquefied natural gas relationship: RO:0002309 ENVO:01000557 ! has exposure stimulus liquefied natural gas [Term] id: ECTO:7000056 name: exposure to natural gas def: "A exposure event involving the interaction of an exposure receptor to natural gas." [] synonym: "natural gas exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000552 ! has exposure stimulus natural gas relationship: RO:0002309 ENVO:01000552 ! has exposure stimulus natural gas [Term] id: ECTO:7000057 name: exposure to liquefied petroleum gas def: "A exposure event involving the interaction of an exposure receptor to liquefied petroleum gas." [] synonym: "liquefied petroleum gas exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000553 ! has exposure stimulus liquefied petroleum gas relationship: RO:0002309 ENVO:01000553 ! has exposure stimulus liquefied petroleum gas [Term] id: ECTO:7000058 name: exposure to gaseous environmental material def: "A exposure event involving the interaction of an exposure receptor to gaseous environmental material." [] synonym: "gaseous environmental material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000797 ! has exposure stimulus gaseous environmental material relationship: RO:0002309 ENVO:01000797 ! has exposure stimulus gaseous environmental material [Term] id: ECTO:7000059 name: exposure to smoke def: "A exposure event involving the interaction of an exposure receptor to smoke." [] synonym: "smoke exposure" EXACT [] is_a: ECTO:7000114 ! exposure to aerosol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000838 ! has exposure stimulus smoke relationship: RO:0002309 ENVO:01000838 ! has exposure stimulus smoke [Term] id: ECTO:7000060 name: exposure to haze def: "A exposure event involving the interaction of an exposure receptor to haze." [] synonym: "haze exposure" EXACT [] is_a: ECTO:7000114 ! exposure to aerosol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001402 ! has exposure stimulus haze relationship: RO:0002309 ENVO:01001402 ! has exposure stimulus haze [Term] id: ECTO:7000061 name: exposure to microplastic particle def: "A exposure event involving the interaction of an exposure receptor to microplastic particle." [] synonym: "microplastic particle exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000944 ! has exposure stimulus microplastic particle relationship: RO:0002309 ENVO:01000944 ! has exposure stimulus microplastic particle [Term] id: ECTO:7000062 name: exposure to secondary microplastic particle def: "A exposure event involving the interaction of an exposure receptor to secondary microplastic particle." [] synonym: "secondary microplastic particle exposure" EXACT [] is_a: ECTO:7000061 ! exposure to microplastic particle intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000946 ! has exposure stimulus secondary microplastic particle relationship: RO:0002309 ENVO:01000946 ! has exposure stimulus secondary microplastic particle [Term] id: ECTO:7000063 name: exposure to water in environment def: "A exposure event involving the interaction of an exposure receptor to liquid water." [] synonym: "liquid water exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002006 ! has exposure stimulus liquid water relationship: RO:0002309 ENVO:00002006 ! has exposure stimulus liquid water [Term] id: ECTO:7000064 name: exposure to air def: "A exposure event involving the interaction of an exposure receptor to air." [] synonym: "air exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material is_a: ECTO:7000073 ! exposure to mineral material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002005 ! has exposure stimulus air relationship: RO:0002309 ENVO:00002005 ! has exposure stimulus air [Term] id: ECTO:7000067 name: exposure to oil def: "A exposure event involving the interaction of an exposure receptor to oil." [] synonym: "oil exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002985 ! has exposure stimulus oil relationship: RO:0002309 ENVO:00002985 ! has exposure stimulus oil [Term] id: ECTO:7000068 name: exposure to particulate matter def: "A exposure event involving the interaction of an exposure receptor to particulate environmental material." [] synonym: "particulate environmental material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000060 ! has exposure stimulus particulate environmental material relationship: RO:0002309 ENVO:01000060 ! has exposure stimulus particulate environmental material [Term] id: ECTO:7000069 name: exposure to organic material def: "A exposure event involving the interaction of an exposure receptor to organic material." [] synonym: "organic material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000155 ! has exposure stimulus organic material relationship: RO:0002309 ENVO:01000155 ! has exposure stimulus organic material [Term] id: ECTO:7000070 name: exposure to snow def: "A exposure event involving the interaction of an exposure receptor to snow." [] synonym: "snow exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000406 ! has exposure stimulus snow relationship: RO:0002309 ENVO:01000406 ! has exposure stimulus snow [Term] id: ECTO:7000071 name: exposure to atmospheric carbon dioxide def: "A exposure event involving the interaction of an exposure receptor to atmospheric carbon dioxide." [] synonym: "atmospheric carbon dioxide exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000451 ! has exposure stimulus atmospheric carbon dioxide relationship: RO:0002309 ENVO:01000451 ! has exposure stimulus atmospheric carbon dioxide [Term] id: ECTO:7000072 name: exposure to volcanic ash def: "A exposure event involving the interaction of an exposure receptor to volcanic ash." [] synonym: "volcanic ash exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000701 ! has exposure stimulus volcanic ash relationship: RO:0002309 ENVO:01000701 ! has exposure stimulus volcanic ash [Term] id: ECTO:7000073 name: exposure to mineral material def: "A exposure event involving the interaction of an exposure receptor to mineral material." [] synonym: "mineral material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000256 ! has exposure stimulus mineral material relationship: RO:0002309 ENVO:01000256 ! has exposure stimulus mineral material [Term] id: ECTO:7000074 name: exposure to mine tailing def: "A exposure event involving the interaction of an exposure receptor to mine tailing." [] synonym: "mine tailing exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00000003 ! has exposure stimulus mine tailing relationship: RO:0002309 ENVO:00000003 ! has exposure stimulus mine tailing [Term] id: ECTO:7000075 name: exposure to permafrost def: "A exposure event involving the interaction of an exposure receptor to permafrost." [] synonym: "permafrost exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00000134 ! has exposure stimulus permafrost relationship: RO:0002309 ENVO:00000134 ! has exposure stimulus permafrost [Term] id: ECTO:7000076 name: exposure to waste water def: "A exposure event involving the interaction of an exposure receptor to waste water." [] synonym: "waste water exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material is_a: ECTO:7000119 ! exposure to contaminated water intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002001 ! has exposure stimulus waste water relationship: RO:0002309 ENVO:00002001 ! has exposure stimulus waste water [Term] id: ECTO:7000077 name: exposure to feces def: "A exposure event involving the interaction of an exposure receptor to fecal material." [] synonym: "fecal material exposure" EXACT [] is_a: ECTO:7000112 ! exposure to excreta intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002003 ! has exposure stimulus fecal material relationship: RO:0002309 ENVO:00002003 ! has exposure stimulus fecal material [Term] id: ECTO:7000078 name: exposure to sewage def: "A exposure event involving the interaction of an exposure receptor to sewage." [] synonym: "sewage exposure" EXACT [] is_a: ECTO:7000076 ! exposure to waste water intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002018 ! has exposure stimulus sewage relationship: RO:0002309 ENVO:00002018 ! has exposure stimulus sewage [Term] id: ECTO:7000079 name: exposure to raw primary sludge def: "A exposure event involving the interaction of an exposure receptor to raw primary sludge." [] synonym: "raw primary sludge exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002057 ! has exposure stimulus raw primary sludge relationship: RO:0002309 ENVO:00002057 ! has exposure stimulus raw primary sludge [Term] id: ECTO:7000080 name: exposure to secondary sludge def: "A exposure event involving the interaction of an exposure receptor to secondary sludge." [] synonym: "secondary sludge exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002058 ! has exposure stimulus secondary sludge relationship: RO:0002309 ENVO:00002058 ! has exposure stimulus secondary sludge [Term] id: ECTO:7000081 name: exposure to biosolids def: "A exposure event involving the interaction of an exposure receptor to biosolids." [] synonym: "biosolids exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002059 ! has exposure stimulus biosolids relationship: RO:0002309 ENVO:00002059 ! has exposure stimulus biosolids [Term] id: ECTO:7000082 name: exposure to oil sludge def: "A exposure event involving the interaction of an exposure receptor to oil sludge." [] synonym: "oil sludge exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002060 ! has exposure stimulus oil sludge relationship: RO:0002309 ENVO:00002060 ! has exposure stimulus oil sludge [Term] id: ECTO:7000083 name: exposure to contaminated sediment def: "A exposure event involving the interaction of an exposure receptor to chemically enriched sediment." [] synonym: "chemically enriched sediment exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002114 ! has exposure stimulus chemically enriched sediment relationship: RO:0002309 ENVO:00002114 ! has exposure stimulus chemically enriched sediment [Term] id: ECTO:7000084 name: exposure to petroleum contaminated sediment def: "A exposure event involving the interaction of an exposure receptor to petroleum enriched sediment." [] synonym: "petroleum enriched sediment exposure" EXACT [] is_a: ECTO:7000083 ! exposure to contaminated sediment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002115 ! has exposure stimulus petroleum enriched sediment relationship: RO:0002309 ENVO:00002115 ! has exposure stimulus petroleum enriched sediment [Term] id: ECTO:7000085 name: exposure to contaminated soil def: "A exposure event involving the interaction of an exposure receptor to contaminated soil." [] synonym: "contaminated soil exposure" EXACT [] is_a: ECTO:7000012 ! exposure to soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002116 ! has exposure stimulus contaminated soil relationship: RO:0002309 ENVO:00002116 ! has exposure stimulus contaminated soil [Term] id: ECTO:7000086 name: exposure to creosote contaminated soil def: "A exposure event involving the interaction of an exposure receptor to creosote contaminated soil." [] synonym: "creosote contaminated soil exposure" EXACT [] is_a: ECTO:7000085 ! exposure to contaminated soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002117 ! has exposure stimulus creosote contaminated soil relationship: RO:0002309 ENVO:00002117 ! has exposure stimulus creosote contaminated soil [Term] id: ECTO:7000087 name: exposure to arsenic-rich mud def: "A exposure event involving the interaction of an exposure receptor to arsenic-rich mud." [] synonym: "arsenic-rich mud exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002122 ! has exposure stimulus arsenic-rich mud relationship: RO:0002309 ENVO:00002122 ! has exposure stimulus arsenic-rich mud [Term] id: ECTO:7000088 name: exposure to borax leachate def: "A exposure event involving the interaction of an exposure receptor to borax leachate." [] synonym: "borax leachate exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002142 ! has exposure stimulus borax leachate relationship: RO:0002309 ENVO:00002142 ! has exposure stimulus borax leachate [Term] id: ECTO:7000089 name: exposure to chromate contaminated soil def: "A exposure event involving the interaction of an exposure receptor to chromate contaminated soil." [] synonym: "chromate contaminated soil exposure" EXACT [] is_a: ECTO:7000085 ! exposure to contaminated soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002145 ! has exposure stimulus chromate contaminated soil relationship: RO:0002309 ENVO:00002145 ! has exposure stimulus chromate contaminated soil [Term] id: ECTO:7000090 name: exposure to xylene contaminated soil def: "A exposure event involving the interaction of an exposure receptor to xylene contaminated soil." [] synonym: "xylene contaminated soil exposure" EXACT [] is_a: ECTO:7000085 ! exposure to contaminated soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002146 ! has exposure stimulus xylene contaminated soil relationship: RO:0002309 ENVO:00002146 ! has exposure stimulus xylene contaminated soil [Term] id: ECTO:7000091 name: exposure to agricultural soil def: "A exposure event involving the interaction of an exposure receptor to agricultural soil." [] synonym: "agricultural soil exposure" EXACT [] is_a: ECTO:7000012 ! exposure to soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002259 ! has exposure stimulus agricultural soil relationship: RO:0002309 ENVO:00002259 ! has exposure stimulus agricultural soil [Term] id: ECTO:7000092 name: exposure to waste material def: "A exposure event involving the interaction of an exposure receptor to waste material." [] synonym: "waste material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002264 ! has exposure stimulus waste material relationship: RO:0002309 ENVO:00002264 ! has exposure stimulus waste material [Term] id: ECTO:7000093 name: exposure to chicken breeding waste material def: "A exposure event involving the interaction of an exposure receptor to chicken breeding waste material." [] synonym: "chicken breeding waste material exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002266 ! has exposure stimulus chicken breeding waste material relationship: RO:0002309 ENVO:00002266 ! has exposure stimulus chicken breeding waste material [Term] id: ECTO:7000094 name: exposure to industrial waste material def: "A exposure event involving the interaction of an exposure receptor to industrial waste material." [] synonym: "industrial waste material exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002267 ! has exposure stimulus industrial waste material relationship: RO:0002309 ENVO:00002267 ! has exposure stimulus industrial waste material [Term] id: ECTO:7000095 name: exposure to fluvisol def: "A exposure event involving the interaction of an exposure receptor to fluvisol." [] synonym: "fluvisol exposure" EXACT [] is_a: ECTO:7000012 ! exposure to soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002273 ! has exposure stimulus fluvisol relationship: RO:0002309 ENVO:00002273 ! has exposure stimulus fluvisol [Term] id: ECTO:7000096 name: exposure to stagnosol def: "A exposure event involving the interaction of an exposure receptor to stagnosol." [] synonym: "stagnosol exposure" EXACT [] is_a: ECTO:7000012 ! exposure to soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002274 ! has exposure stimulus stagnosol relationship: RO:0002309 ENVO:00002274 ! has exposure stimulus stagnosol [Term] id: ECTO:7000097 name: exposure to technosol def: "A exposure event involving the interaction of an exposure receptor to technosol." [] synonym: "technosol exposure" EXACT [] is_a: ECTO:7000012 ! exposure to soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002275 ! has exposure stimulus technosol relationship: RO:0002309 ENVO:00002275 ! has exposure stimulus technosol [Term] id: ECTO:7000098 name: exposure to animal waste material def: "A exposure event involving the interaction of an exposure receptor to animal waste material." [] synonym: "animal waste material exposure" EXACT [] is_a: ECTO:7000102 ! exposure to organic waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002276 ! has exposure stimulus animal waste material relationship: RO:0002309 ENVO:00002276 ! has exposure stimulus animal waste material [Term] id: ECTO:7000099 name: exposure to hay def: "A exposure event involving the interaction of an exposure receptor to hay." [] synonym: "hay exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002869 ! has exposure stimulus hay relationship: RO:0002309 ENVO:00002869 ! has exposure stimulus hay [Term] id: ECTO:7000100 name: exposure to adobe def: "A exposure event involving the interaction of an exposure receptor to adobe." [] synonym: "adobe exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002870 ! has exposure stimulus adobe relationship: RO:0002309 ENVO:00002870 ! has exposure stimulus adobe [Term] id: ECTO:7000101 name: exposure to bagasse def: "A exposure event involving the interaction of an exposure receptor to bagasse." [] synonym: "bagasse exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002872 ! has exposure stimulus bagasse relationship: RO:0002309 ENVO:00002872 ! has exposure stimulus bagasse [Term] id: ECTO:7000102 name: exposure to organic waste material def: "A exposure event involving the interaction of an exposure receptor to organic waste material." [] synonym: "organic waste material exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002873 ! has exposure stimulus organic waste material relationship: RO:0002309 ENVO:00002873 ! has exposure stimulus organic waste material [Term] id: ECTO:7000103 name: exposure to oil contaminated soil def: "A exposure event involving the interaction of an exposure receptor to oil contaminated soil." [] synonym: "oil contaminated soil exposure" EXACT [] is_a: ECTO:7000085 ! exposure to contaminated soil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002875 ! has exposure stimulus oil contaminated soil relationship: RO:0002309 ENVO:00002875 ! has exposure stimulus oil contaminated soil [Term] id: ECTO:7000104 name: exposure to fuel oil def: "A exposure event involving the interaction of an exposure receptor to fuel oil." [] synonym: "fuel oil exposure" EXACT [] is_a: ECTO:7000067 ! exposure to oil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002983 ! has exposure stimulus fuel oil relationship: RO:0002309 ENVO:00002983 ! has exposure stimulus fuel oil [Term] id: ECTO:7000105 name: exposure to petroleum def: "A exposure event involving the interaction of an exposure receptor to petroleum." [] synonym: "petroleum exposure" EXACT [] is_a: ECTO:7000067 ! exposure to oil intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002984 ! has exposure stimulus petroleum relationship: RO:0002309 ENVO:00002984 ! has exposure stimulus petroleum [Term] id: ECTO:7000106 name: exposure to silage def: "A exposure event involving the interaction of an exposure receptor to silage." [] synonym: "silage exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003030 ! has exposure stimulus silage relationship: RO:0002309 ENVO:00003030 ! has exposure stimulus silage [Term] id: ECTO:7000107 name: exposure to animal manure def: "A exposure event involving the interaction of an exposure receptor to animal manure." [] synonym: "animal manure exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003031 ! has exposure stimulus animal manure relationship: RO:0002309 ENVO:00003031 ! has exposure stimulus animal manure [Term] id: ECTO:7000108 name: exposure to fresh animal manure def: "A exposure event involving the interaction of an exposure receptor to fresh animal manure." [] synonym: "fresh animal manure exposure" EXACT [] is_a: ECTO:7000107 ! exposure to animal manure intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003032 ! has exposure stimulus fresh animal manure relationship: RO:0002309 ENVO:00003032 ! has exposure stimulus fresh animal manure [Term] id: ECTO:7000109 name: exposure to bodily fluid def: "A exposure event involving the interaction of an exposure receptor to bodily fluid material." [] synonym: "bodily fluid material exposure" EXACT [] is_a: ECTO:7000069 ! exposure to organic material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000019 ! has exposure stimulus bodily fluid material relationship: RO:0002309 ENVO:02000019 ! has exposure stimulus bodily fluid material [Term] id: ECTO:7000110 name: exposure to blood def: "A exposure event involving the interaction of an exposure receptor to blood material." [] synonym: "blood material exposure" EXACT [] is_a: ECTO:7000109 ! exposure to bodily fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000020 ! has exposure stimulus blood material relationship: RO:0002309 ENVO:02000020 ! has exposure stimulus blood material [Term] id: ECTO:7000111 name: exposure to amniotic fluid def: "A exposure event involving the interaction of an exposure receptor to amniotic fluid material." [] synonym: "amniotic fluid material exposure" EXACT [] is_a: ECTO:7000109 ! exposure to bodily fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000021 ! has exposure stimulus amniotic fluid material relationship: RO:0002309 ENVO:02000021 ! has exposure stimulus amniotic fluid material [Term] id: ECTO:7000112 name: exposure to excreta def: "A exposure event involving the interaction of an exposure receptor to excreta material." [] synonym: "excreta material exposure" EXACT [] is_a: ECTO:7000092 ! exposure to waste material is_a: ECTO:7000109 ! exposure to bodily fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000022 ! has exposure stimulus excreta material relationship: RO:0002309 ENVO:02000022 ! has exposure stimulus excreta material [Term] id: ECTO:7000113 name: exposure to bile def: "A exposure event involving the interaction of an exposure receptor to bile material." [] synonym: "bile material exposure" EXACT [] is_a: ECTO:7000109 ! exposure to bodily fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000023 ! has exposure stimulus bile material relationship: RO:0002309 ENVO:02000023 ! has exposure stimulus bile material [Term] id: ECTO:7000114 name: exposure to aerosol def: "A exposure event involving the interaction of an exposure receptor to aerosol." [] synonym: "aerosol exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00010505 ! has exposure stimulus aerosol relationship: RO:0002309 ENVO:00010505 ! has exposure stimulus aerosol [Term] id: ECTO:7000115 name: exposure to waterborne particulate matter def: "A exposure event involving the interaction of an exposure receptor to waterborne particulate matter." [] synonym: "waterborne particulate matter exposure" EXACT [] is_a: ECTO:7000068 ! exposure to particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000436 ! has exposure stimulus waterborne particulate matter relationship: RO:0002309 ENVO:01000436 ! has exposure stimulus waterborne particulate matter [Term] id: ECTO:7000116 name: exposure to respirable suspended particulate matter def: "A exposure event involving the interaction of an exposure receptor to respirable suspended particulate matter." [] synonym: "respirable suspended particulate matter exposure" EXACT [] is_a: ECTO:7000114 ! exposure to aerosol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000405 ! has exposure stimulus respirable suspended particulate matter relationship: RO:0002309 ENVO:01000405 ! has exposure stimulus respirable suspended particulate matter [Term] id: ECTO:7000117 name: exposure to fine respirable suspended particulate matter def: "A exposure event involving the interaction of an exposure receptor to fine respirable suspended particulate matter." [] synonym: "fine respirable suspended particulate matter exposure" EXACT [] is_a: ECTO:7000116 ! exposure to respirable suspended particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000415 ! has exposure stimulus fine respirable suspended particulate matter relationship: RO:0002309 ENVO:01000415 ! has exposure stimulus fine respirable suspended particulate matter [Term] id: ECTO:7000118 name: exposure to ultrafine respirable suspended particulate matter def: "A exposure event involving the interaction of an exposure receptor to ultrafine respirable suspended particulate matter." [] synonym: "ultrafine respirable suspended particulate matter exposure" EXACT [] is_a: ECTO:7000117 ! exposure to fine respirable suspended particulate matter intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000416 ! has exposure stimulus ultrafine respirable suspended particulate matter relationship: RO:0002309 ENVO:01000416 ! has exposure stimulus ultrafine respirable suspended particulate matter [Term] id: ECTO:7000119 name: exposure to contaminated water def: "A exposure event involving the interaction of an exposure receptor to contaminated water." [] synonym: "contaminated water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002186 ! has exposure stimulus contaminated water relationship: RO:0002309 ENVO:00002186 ! has exposure stimulus contaminated water [Term] id: ECTO:7000120 name: exposure to pulp-bleaching waste water def: "A exposure event involving the interaction of an exposure receptor to pulp-bleaching waste water." [] synonym: "pulp-bleaching waste water exposure" EXACT [] is_a: ECTO:7000076 ! exposure to waste water intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002193 ! has exposure stimulus pulp-bleaching waste water relationship: RO:0002309 ENVO:00002193 ! has exposure stimulus pulp-bleaching waste water [Term] id: ECTO:7000122 name: exposure to sea water def: "A exposure event involving the interaction of an exposure receptor to sea water." [] synonym: "sea water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002149 ! has exposure stimulus sea water relationship: RO:0002309 ENVO:00002149 ! has exposure stimulus sea water [Term] id: ECTO:7000123 name: exposure to river water def: "A exposure event involving the interaction of an exposure receptor to river water." [] synonym: "river water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000599 ! has exposure stimulus river water relationship: RO:0002309 ENVO:01000599 ! has exposure stimulus river water [Term] id: ECTO:7000124 name: exposure to distilled water def: "A exposure event involving the interaction of an exposure receptor to distilled water." [] synonym: "distilled water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003065 ! has exposure stimulus distilled water relationship: RO:0002309 ENVO:00003065 ! has exposure stimulus distilled water [Term] id: ECTO:7000125 name: exposure to drinking water def: "A exposure event involving the interaction of an exposure receptor to drinking water." [] synonym: "drinking water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003064 ! has exposure stimulus drinking water relationship: RO:0002309 ENVO:00003064 ! has exposure stimulus drinking water [Term] id: ECTO:7000126 name: exposure to tap water def: "A exposure event involving the interaction of an exposure receptor to tap water." [] synonym: "tap water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003096 ! has exposure stimulus tap water relationship: RO:0002309 ENVO:00003096 ! has exposure stimulus tap water [Term] id: ECTO:7000127 name: exposure to groundwater def: "A exposure event involving the interaction of an exposure receptor to groundwater." [] synonym: "groundwater exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001004 ! has exposure stimulus groundwater relationship: RO:0002309 ENVO:01001004 ! has exposure stimulus groundwater [Term] id: ECTO:7000128 name: exposure to pond water def: "A exposure event involving the interaction of an exposure receptor to pond water." [] synonym: "pond water exposure" EXACT [] is_a: ECTO:7000063 ! exposure to water in environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00002228 ! has exposure stimulus pond water relationship: RO:0002309 ENVO:00002228 ! has exposure stimulus pond water [Term] id: ECTO:7000129 name: exposure to welding fume def: "A exposure event involving the interaction of an exposure receptor to welding fume." [] synonym: "welding fume exposure" EXACT [] is_a: ECTO:7000002 ! exposure to fumes intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000113 ! has exposure stimulus welding fume relationship: RO:0002309 ENVO:02000113 ! has exposure stimulus welding fume [Term] id: ECTO:7000130 name: exposure to glue def: "A exposure event involving the interaction of an exposure receptor to glue." [] synonym: "glue exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:00003076 ! has exposure stimulus glue relationship: RO:0002309 ENVO:00003076 ! has exposure stimulus glue [Term] id: ECTO:7000131 name: exposure to resin def: "A exposure event involving the interaction of an exposure receptor to resin." [] synonym: "resin exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510018 ! has exposure stimulus resin relationship: RO:0002309 ENVO:03510018 ! has exposure stimulus resin [Term] id: ECTO:7000132 name: exposure to shellac def: "A exposure event involving the interaction of an exposure receptor to shellac." [] synonym: "shellac exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510023 ! has exposure stimulus shellac relationship: RO:0002309 ENVO:03510023 ! has exposure stimulus shellac [Term] id: ECTO:7000133 name: exposure to tragacanth def: "A exposure event involving the interaction of an exposure receptor to tragacanth." [] synonym: "tragacanth exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510016 ! has exposure stimulus tragacanth relationship: RO:0002309 ENVO:03510016 ! has exposure stimulus tragacanth [Term] id: ECTO:7000134 name: exposure to xanthan gum def: "A exposure event involving the interaction of an exposure receptor to xanthan gum." [] synonym: "xanthan gum exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510015 ! has exposure stimulus xanthan gum relationship: RO:0002309 ENVO:03510015 ! has exposure stimulus xanthan gum [Term] id: ECTO:7000135 name: exposure to wood dust def: "A exposure event involving the interaction of an exposure receptor to wood dust." [] synonym: "wood dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510000 ! has exposure stimulus wood dust relationship: RO:0002309 ENVO:03510000 ! has exposure stimulus wood dust [Term] id: ECTO:7000136 name: exposure to diesel fuel def: "A exposure event involving the interaction of an exposure receptor to diesel fuel." [] synonym: "diesel fuel exposure" EXACT [] is_a: ECTO:7000105 ! exposure to petroleum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510006 ! has exposure stimulus diesel fuel relationship: RO:0002309 ENVO:03510006 ! has exposure stimulus diesel fuel [Term] id: ECTO:7000137 name: exposure to gasoline def: "A exposure event involving the interaction of an exposure receptor to gasoline." [] synonym: "gasoline exposure" EXACT [] is_a: ECTO:7000105 ! exposure to petroleum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510007 ! has exposure stimulus gasoline relationship: RO:0002309 ENVO:03510007 ! has exposure stimulus gasoline [Term] id: ECTO:7000138 name: exposure to diesel exhaust def: "A exposure event involving the interaction of an exposure receptor to diesel exhaust." [] synonym: "diesel exhaust exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510008 ! has exposure stimulus diesel exhaust relationship: RO:0002309 ENVO:03510008 ! has exposure stimulus diesel exhaust [Term] id: ECTO:7000139 name: exposure to gasoline exhaust def: "A exposure event involving the interaction of an exposure receptor to gasoline exhaust." [] synonym: "gasoline exhaust exposure" EXACT [] is_a: ECTO:7000058 ! exposure to gaseous environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510009 ! has exposure stimulus gasoline exhaust relationship: RO:0002309 ENVO:03510009 ! has exposure stimulus gasoline exhaust [Term] id: ECTO:7000140 name: exposure to primer (paint) def: "A exposure event involving the interaction of an exposure receptor to primer (paint)." [] synonym: "primer (paint) exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510029 ! has exposure stimulus primer (paint) relationship: RO:0002309 ENVO:03510029 ! has exposure stimulus primer (paint) [Term] id: ECTO:7000141 name: exposure to oil-based paint def: "A exposure event involving the interaction of an exposure receptor to oil-based paint." [] synonym: "oil-based paint exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510031 ! has exposure stimulus oil-based paint relationship: RO:0002309 ENVO:03510031 ! has exposure stimulus oil-based paint [Term] id: ECTO:7000142 name: exposure to acrylic paint def: "A exposure event involving the interaction of an exposure receptor to acrylic paint." [] synonym: "acrylic paint exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510032 ! has exposure stimulus acrylic paint relationship: RO:0002309 ENVO:03510032 ! has exposure stimulus acrylic paint [Term] id: ECTO:7000143 name: exposure to luminescent paint def: "A exposure event involving the interaction of an exposure receptor to luminescent paint." [] synonym: "luminescent paint exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510033 ! has exposure stimulus luminescent paint relationship: RO:0002309 ENVO:03510033 ! has exposure stimulus luminescent paint [Term] id: ECTO:7000144 name: exposure to rock dust def: "A exposure event involving the interaction of an exposure receptor to rock dust." [] synonym: "rock dust exposure" EXACT [] is_a: ECTO:7000001 ! exposure to dust intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510036 ! has exposure stimulus rock dust relationship: RO:0002309 ENVO:03510036 ! has exposure stimulus rock dust [Term] id: ECTO:7000145 name: exposure to radioactive material def: "A exposure event involving the interaction of an exposure receptor to radioactive material." [] synonym: "radioactive material exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510037 ! has exposure stimulus radioactive material relationship: RO:0002309 ENVO:03510037 ! has exposure stimulus radioactive material [Term] id: ECTO:7000146 name: exposure to cyanoacrylate def: "A exposure event involving the interaction of an exposure receptor to volume of cyanoacrylate." [] synonym: "volume of cyanoacrylate exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510038 ! has exposure stimulus volume of cyanoacrylate relationship: RO:0002309 ENVO:03510038 ! has exposure stimulus volume of cyanoacrylate [Term] id: ECTO:7000147 name: exposure to plastic production compound def: "A exposure event involving the interaction of an exposure receptor to obsolete plastic production compound." [] synonym: "obsolete plastic production compound exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510039 ! has exposure stimulus obsolete plastic production compound relationship: RO:0002309 ENVO:03510039 ! has exposure stimulus obsolete plastic production compound [Term] id: ECTO:7000148 name: exposure to cotton dust def: "A exposure event involving the interaction of an exposure receptor to cotton dust." [] synonym: "cotton dust exposure" EXACT [] is_a: ECTO:7000033 ! exposure to dust from plant parts intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02000108 ! has exposure stimulus cotton dust relationship: RO:0002309 ENVO:02000108 ! has exposure stimulus cotton dust [Term] id: ECTO:7000149 name: exposure to rubber cement def: "A exposure event involving the interaction of an exposure receptor to rubber cement." [] synonym: "rubber cement exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510055 ! has exposure stimulus rubber cement relationship: RO:0002309 ENVO:03510055 ! has exposure stimulus rubber cement [Term] id: ECTO:7000150 name: exposure to methyl cellulose paste def: "A exposure event involving the interaction of an exposure receptor to methyl cellulose paste." [] synonym: "methyl cellulose paste exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product is_a: ECTO:7000069 ! exposure to organic material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510056 ! has exposure stimulus methyl cellulose paste relationship: RO:0002309 ENVO:03510056 ! has exposure stimulus methyl cellulose paste [Term] id: ECTO:7000151 name: exposure to permanent hair dye def: "A exposure event involving the interaction of an exposure receptor to permanent hair dye." [] synonym: "permanent hair dye exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0500025 ! exposure to manufactured product intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510057 ! has exposure stimulus permanent hair dye relationship: RO:0002309 ENVO:03510057 ! has exposure stimulus permanent hair dye [Term] id: ECTO:7000152 name: exposure to pharmaceutical ink def: "A exposure event involving the interaction of an exposure receptor to pharmaceutical ink." [] synonym: "pharmaceutical ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product is_a: ECTO:7000157 ! exposure to colorant fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510058 ! has exposure stimulus pharmaceutical ink relationship: RO:0002309 ENVO:03510058 ! has exposure stimulus pharmaceutical ink [Term] id: ECTO:7000153 name: exposure to gel ink def: "A exposure event involving the interaction of an exposure receptor to gel ink." [] synonym: "gel ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product is_a: ECTO:7000157 ! exposure to colorant fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510060 ! has exposure stimulus gel ink relationship: RO:0002309 ENVO:03510060 ! has exposure stimulus gel ink [Term] id: ECTO:7000154 name: exposure to soy ink def: "A exposure event involving the interaction of an exposure receptor to soy ink." [] synonym: "soy ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product is_a: ECTO:7000157 ! exposure to colorant fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510061 ! has exposure stimulus soy ink relationship: RO:0002309 ENVO:03510061 ! has exposure stimulus soy ink [Term] id: ECTO:7000155 name: exposure to aqueous inkjet printer ink def: "A exposure event involving the interaction of an exposure receptor to aqueous inkjet printer ink." [] synonym: "aqueous inkjet printer ink exposure" EXACT [] is_a: ECTO:0500025 ! exposure to manufactured product is_a: ECTO:7000157 ! exposure to colorant fluid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510062 ! has exposure stimulus aqueous inkjet printer ink relationship: RO:0002309 ENVO:03510062 ! has exposure stimulus aqueous inkjet printer ink [Term] id: ECTO:7000156 name: exposure to emissions from petroleum combustion def: "A exposure event involving the interaction of an exposure receptor to emissions from petroleum combustion." [] synonym: "emissions from petroleum combustion exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510064 ! has exposure stimulus emissions from petroleum combustion relationship: RO:0002309 ENVO:03510064 ! has exposure stimulus emissions from petroleum combustion [Term] id: ECTO:7000157 name: exposure to colorant fluid def: "A exposure event involving the interaction of an exposure receptor to colorant fluid." [] synonym: "colorant fluid exposure" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510065 ! has exposure stimulus colorant fluid relationship: RO:0002309 ENVO:03510065 ! has exposure stimulus colorant fluid [Term] id: ECTO:7000158 name: exposure to chemical colorant def: "A exposure event involving the interaction of an exposure receptor to chemical colorant." [] synonym: "chemical colorant exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03510066 ! has exposure stimulus chemical colorant relationship: RO:0002309 ENVO:03510066 ! has exposure stimulus chemical colorant [Term] id: ECTO:8000000 name: exposure to environmental process def: "A exposure event involving the interaction of an exposure receptor to environmental system process." [] synonym: "environmental system process exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500000 ! has exposure stimulus environmental system process relationship: RO:0002309 ENVO:02500000 ! has exposure stimulus environmental system process [Term] id: ECTO:8000001 name: exposure to methane gas emission process def: "A exposure event involving the interaction of an exposure receptor to methane gas emission process." [] synonym: "methane gas emission process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03000094 ! has exposure stimulus methane gas emission process relationship: RO:0002309 ENVO:03000094 ! has exposure stimulus methane gas emission process [Term] id: ECTO:8000002 name: exposure to atmospheric aerosolisation of dust def: "A exposure event involving the interaction of an exposure receptor to atmospheric aerosolisation of dust." [] synonym: "atmospheric aerosolisation of dust exposure" EXACT [] is_a: ECTO:8000003 ! exposure to aerosolisation of dust is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001399 ! has exposure stimulus atmospheric aerosolisation of dust relationship: RO:0002309 ENVO:01001399 ! has exposure stimulus atmospheric aerosolisation of dust [Term] id: ECTO:8000003 name: exposure to aerosolisation of dust def: "A exposure event involving the interaction of an exposure receptor to aerosolisation of dust." [] synonym: "aerosolisation of dust exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001398 ! has exposure stimulus aerosolisation of dust relationship: RO:0002309 ENVO:01001398 ! has exposure stimulus aerosolisation of dust [Term] id: ECTO:8000004 name: exposure to lumber production process def: "A exposure event involving the interaction of an exposure receptor to lumber production process." [] synonym: "lumber production process exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001223 ! has exposure stimulus lumber production process relationship: RO:0002309 ENVO:01001223 ! has exposure stimulus lumber production process [Term] id: ECTO:8000005 name: exposure to greenhouse effect def: "A exposure event involving the interaction of an exposure receptor to greenhouse effect." [] synonym: "greenhouse effect exposure" EXACT [] is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500004 ! has exposure stimulus greenhouse effect relationship: RO:0002309 ENVO:02500004 ! has exposure stimulus greenhouse effect [Term] id: ECTO:8000006 name: exposure to combusion process def: "A exposure event involving the interaction of an exposure receptor to combustion process." [] synonym: "combustion process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000839 ! has exposure stimulus combustion process relationship: RO:0002309 ENVO:01000839 ! has exposure stimulus combustion process [Term] id: ECTO:8000007 name: exposure to plastic pollution def: "A exposure event involving the interaction of an exposure receptor to plastic pollution." [] synonym: "plastic pollution exposure" EXACT [] is_a: ECTO:8000019 ! exposure to environmental pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500040 ! has exposure stimulus plastic pollution relationship: RO:0002309 ENVO:02500040 ! has exposure stimulus plastic pollution [Term] id: ECTO:8000008 name: exposure to climate change def: "A exposure event involving the interaction of an exposure receptor to climate change." [] synonym: "climate change exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000629 ! has exposure stimulus climate change relationship: RO:0002309 ENVO:01000629 ! has exposure stimulus climate change [Term] id: ECTO:8000009 name: exposure to acidification of an aquatic environment def: "A exposure event involving the interaction of an exposure receptor to acidification of an aquatic environment." [] synonym: "acidification of an aquatic environment exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000630 ! has exposure stimulus acidification of an aquatic environment relationship: RO:0002309 ENVO:01000630 ! has exposure stimulus acidification of an aquatic environment [Term] id: ECTO:8000010 name: exposure to volcanic eruption def: "A exposure event involving the interaction of an exposure receptor to volcanic eruption." [] synonym: "volcanic eruption exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000634 ! has exposure stimulus volcanic eruption relationship: RO:0002309 ENVO:01000634 ! has exposure stimulus volcanic eruption [Term] id: ECTO:8000011 name: exposure to earthquake def: "A exposure event involving the interaction of an exposure receptor to earthquake." [] synonym: "earthquake exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000677 ! has exposure stimulus earthquake relationship: RO:0002309 ENVO:01000677 ! has exposure stimulus earthquake [Term] id: ECTO:8000012 name: exposure to tsunami def: "A exposure event involving the interaction of an exposure receptor to tsunami." [] synonym: "tsunami exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000689 ! has exposure stimulus tsunami relationship: RO:0002309 ENVO:01000689 ! has exposure stimulus tsunami [Term] id: ECTO:8000013 name: exposure to soil degradation def: "A exposure event involving the interaction of an exposure receptor to soil degradation." [] synonym: "soil degradation exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000705 ! has exposure stimulus soil degradation relationship: RO:0002309 ENVO:01000705 ! has exposure stimulus soil degradation [Term] id: ECTO:8000014 name: exposure to material extraction process def: "A exposure event involving the interaction of an exposure receptor to material extraction process." [] synonym: "material extraction process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000785 ! has exposure stimulus material extraction process relationship: RO:0002309 ENVO:01000785 ! has exposure stimulus material extraction process [Term] id: ECTO:8000015 name: exposure to desertification def: "A exposure event involving the interaction of an exposure receptor to desertification." [] synonym: "desertification exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500001 ! has exposure stimulus desertification relationship: RO:0002309 ENVO:02500001 ! has exposure stimulus desertification [Term] id: ECTO:8000016 name: exposure to flooding def: "A exposure event involving the interaction of an exposure receptor to flooding." [] synonym: "flooding exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500002 ! has exposure stimulus flooding relationship: RO:0002309 ENVO:02500002 ! has exposure stimulus flooding [Term] id: ECTO:8000017 name: exposure to atmospheric process def: "A exposure event involving the interaction of an exposure receptor to atmospheric process." [] synonym: "atmospheric process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500003 ! has exposure stimulus atmospheric process relationship: RO:0002309 ENVO:02500003 ! has exposure stimulus atmospheric process [Term] id: ECTO:8000018 name: exposure to deforestation def: "A exposure event involving the interaction of an exposure receptor to deforestation." [] synonym: "deforestation exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500012 ! has exposure stimulus deforestation relationship: RO:0002309 ENVO:02500012 ! has exposure stimulus deforestation [Term] id: ECTO:8000019 name: exposure to environmental pollution def: "A exposure event involving the interaction of an exposure receptor to environmental pollution." [] synonym: "environmental pollution exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500036 ! has exposure stimulus environmental pollution relationship: RO:0002309 ENVO:02500036 ! has exposure stimulus environmental pollution [Term] id: ECTO:8000020 name: exposure to ocean acidification def: "A exposure event involving the interaction of an exposure receptor to ocean acidification." [] synonym: "ocean acidification exposure" EXACT [] is_a: ECTO:8000009 ! exposure to acidification of an aquatic environment intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000631 ! has exposure stimulus ocean acidification relationship: RO:0002309 ENVO:01000631 ! has exposure stimulus ocean acidification [Term] id: ECTO:8000021 name: exposure to tectonic earthquake def: "A exposure event involving the interaction of an exposure receptor to tectonic earthquake." [] synonym: "tectonic earthquake exposure" EXACT [] is_a: ECTO:8000011 ! exposure to earthquake intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000678 ! has exposure stimulus tectonic earthquake relationship: RO:0002309 ENVO:01000678 ! has exposure stimulus tectonic earthquake [Term] id: ECTO:8000022 name: exposure to landslide process def: "A exposure event involving the interaction of an exposure receptor to landslide process." [] synonym: "landslide process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000692 ! has exposure stimulus landslide process relationship: RO:0002309 ENVO:01000692 ! has exposure stimulus landslide process [Term] id: ECTO:8000023 name: exposure to mudslide def: "A exposure event involving the interaction of an exposure receptor to mudslide." [] synonym: "mudslide exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000695 ! has exposure stimulus mudslide relationship: RO:0002309 ENVO:01000695 ! has exposure stimulus mudslide [Term] id: ECTO:8000024 name: exposure to coastal flooding def: "A exposure event involving the interaction of an exposure receptor to coastal flooding." [] synonym: "coastal flooding exposure" EXACT [] is_a: ECTO:8000016 ! exposure to flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000707 ! has exposure stimulus coastal flooding relationship: RO:0002309 ENVO:01000707 ! has exposure stimulus coastal flooding [Term] id: ECTO:8000025 name: exposure to riverine flooding def: "A exposure event involving the interaction of an exposure receptor to riverine flooding." [] synonym: "riverine flooding exposure" EXACT [] is_a: ECTO:8000016 ! exposure to flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000708 ! has exposure stimulus riverine flooding relationship: RO:0002309 ENVO:01000708 ! has exposure stimulus riverine flooding [Term] id: ECTO:8000026 name: exposure to flash flooding def: "A exposure event involving the interaction of an exposure receptor to flash flooding." [] synonym: "flash flooding exposure" EXACT [] is_a: ECTO:8000016 ! exposure to flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000709 ! has exposure stimulus flash flooding relationship: RO:0002309 ENVO:01000709 ! has exposure stimulus flash flooding [Term] id: ECTO:8000027 name: exposure to metotsunami def: "A exposure event involving the interaction of an exposure receptor to meteotsunami." [] synonym: "meteotsunami exposure" EXACT [] is_a: ECTO:8000012 ! exposure to tsunami intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000715 ! has exposure stimulus meteotsunami relationship: RO:0002309 ENVO:01000715 ! has exposure stimulus meteotsunami [Term] id: ECTO:8000028 name: exposure to storm surge process def: "A exposure event involving the interaction of an exposure receptor to storm surge process." [] synonym: "storm surge process exposure" EXACT [] is_a: ECTO:8000024 ! exposure to coastal flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000716 ! has exposure stimulus storm surge process relationship: RO:0002309 ENVO:01000716 ! has exposure stimulus storm surge process [Term] id: ECTO:8000029 name: exposure to areal flooding def: "A exposure event involving the interaction of an exposure receptor to areal flooding." [] synonym: "areal flooding exposure" EXACT [] is_a: ECTO:8000016 ! exposure to flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000717 ! has exposure stimulus areal flooding relationship: RO:0002309 ENVO:01000717 ! has exposure stimulus areal flooding [Term] id: ECTO:8000030 name: exposure to urban flooding def: "A exposure event involving the interaction of an exposure receptor to urban flooding." [] synonym: "urban flooding exposure" EXACT [] is_a: ECTO:8000016 ! exposure to flooding intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000718 ! has exposure stimulus urban flooding relationship: RO:0002309 ENVO:01000718 ! has exposure stimulus urban flooding [Term] id: ECTO:8000031 name: exposure to carbon dioxide emission process def: "A exposure event involving the interaction of an exposure receptor to carbon dioxide emission process." [] synonym: "carbon dioxide emission process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000769 ! has exposure stimulus carbon dioxide emission process relationship: RO:0002309 ENVO:01000769 ! has exposure stimulus carbon dioxide emission process [Term] id: ECTO:8000032 name: obsolete exposure to greenhouse effect is_obsolete: true replaced_by: ECTO:8000005 [Term] id: ECTO:8000033 name: exposure to accumulation of toxins from algal bloom process def: "A exposure event involving the interaction of an exposure receptor to accumulation of toxins from algal bloom process." [] synonym: "accumulation of toxins from algal bloom process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500024 ! has exposure stimulus accumulation of toxins from algal bloom process relationship: RO:0002309 ENVO:02500024 ! has exposure stimulus accumulation of toxins from algal bloom process [Term] id: ECTO:8000034 name: exposure to degradation of toxins from algal bloom process def: "A exposure event involving the interaction of an exposure receptor to degradation of toxins from algal bloom process." [] synonym: "degradation of toxins from algal bloom process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500025 ! has exposure stimulus degradation of toxins from algal bloom process relationship: RO:0002309 ENVO:02500025 ! has exposure stimulus degradation of toxins from algal bloom process [Term] id: ECTO:8000035 name: exposure to anthropogenic modulatory intervention process def: "A exposure event involving the interaction of an exposure receptor to anthropogenic modulatory intervention process." [] synonym: "anthropogenic modulatory intervention process exposure" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500026 ! has exposure stimulus anthropogenic modulatory intervention process relationship: RO:0002309 ENVO:02500026 ! has exposure stimulus anthropogenic modulatory intervention process [Term] id: ECTO:8000036 name: exposure to air pollution def: "A exposure event involving the interaction of an exposure receptor to air pollution." [] synonym: "air pollution exposure" EXACT [] is_a: ECTO:8000019 ! exposure to environmental pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500037 ! has exposure stimulus air pollution relationship: RO:0002309 ENVO:02500037 ! has exposure stimulus air pollution [Term] id: ECTO:8000037 name: exposure to soil pollution def: "A exposure event involving the interaction of an exposure receptor to soil pollution." [] synonym: "soil pollution exposure" EXACT [] is_a: ECTO:8000019 ! exposure to environmental pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500038 ! has exposure stimulus soil pollution relationship: RO:0002309 ENVO:02500038 ! has exposure stimulus soil pollution [Term] id: ECTO:8000038 name: exposure to water pollution def: "A exposure event involving the interaction of an exposure receptor to water pollution." [] synonym: "water pollution exposure" EXACT [] is_a: ECTO:8000019 ! exposure to environmental pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500039 ! has exposure stimulus water pollution relationship: RO:0002309 ENVO:02500039 ! has exposure stimulus water pollution [Term] id: ECTO:8000039 name: obsolete exposure to plastic pollution is_obsolete: true replaced_by: ECTO:8000007 [Term] id: ECTO:8000040 name: exposure to urban pollution def: "A exposure event involving the interaction of an exposure receptor to urban pollution." [] synonym: "urban pollution exposure" EXACT [] is_a: ECTO:8000019 ! exposure to environmental pollution intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:02500044 ! has exposure stimulus urban pollution relationship: RO:0002309 ENVO:02500044 ! has exposure stimulus urban pollution [Term] id: ECTO:8000041 name: exposure to drought def: "A exposure event involving the interaction of an exposure receptor to drought." [] synonym: "drought exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:1000745 ! has exposure stimulus drought relationship: RO:0002309 ENVO:1000745 ! has exposure stimulus drought [Term] id: ECTO:8000044 name: exposure to sound radiation def: "A exposure event involving the interaction of an exposure receptor to acoustic radiation." [] synonym: "acoustic radiation exposure" EXACT [] is_a: ECTO:0000001 ! exposure to radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001027 ! has exposure stimulus acoustic radiation relationship: RO:0002309 ENVO:01001027 ! has exposure stimulus acoustic radiation [Term] id: ECTO:8000045 name: exposure to gamma radiation def: "A exposure event involving the interaction of an exposure receptor to gamma-ray radiation." [] synonym: "gamma-ray radiation exposure" EXACT [] is_a: ECTO:7000047 ! exposure to ionizing radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001218 ! has exposure stimulus gamma-ray radiation relationship: RO:0002309 ENVO:21001218 ! has exposure stimulus gamma-ray radiation [Term] id: ECTO:8000046 name: exposure to x-ray radiation def: "A exposure event involving the interaction of an exposure receptor to X-ray radiation." [] synonym: "X-ray radiation exposure" EXACT [] is_a: ECTO:7000047 ! exposure to ionizing radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001217 ! has exposure stimulus X-ray radiation relationship: RO:0002309 ENVO:21001217 ! has exposure stimulus X-ray radiation [Term] id: ECTO:8000049 name: exposure to infrared radiation def: "A exposure event involving the interaction of an exposure receptor to infrared radiation." [] synonym: "infrared radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001214 ! has exposure stimulus infrared radiation relationship: RO:0002309 ENVO:21001214 ! has exposure stimulus infrared radiation [Term] id: ECTO:8000050 name: exposure to far-infrared radiation def: "A exposure event involving the interaction of an exposure receptor to far-infrared radiation." [] synonym: "far-infrared radiation exposure" EXACT [] is_a: ECTO:8000049 ! exposure to infrared radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03500015 ! has exposure stimulus far-infrared radiation relationship: RO:0002309 ENVO:03500015 ! has exposure stimulus far-infrared radiation [Term] id: ECTO:8000051 name: exposure to mid-infrared radiation def: "A exposure event involving the interaction of an exposure receptor to mid-infrared radiation." [] synonym: "mid-infrared radiation exposure" EXACT [] is_a: ECTO:8000049 ! exposure to infrared radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03500013 ! has exposure stimulus mid-infrared radiation relationship: RO:0002309 ENVO:03500013 ! has exposure stimulus mid-infrared radiation [Term] id: ECTO:8000052 name: exposure to near-infrared radiation def: "A exposure event involving the interaction of an exposure receptor to near-infrared radiation." [] synonym: "near-infrared radiation exposure" EXACT [] is_a: ECTO:8000049 ! exposure to infrared radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03500014 ! has exposure stimulus near-infrared radiation relationship: RO:0002309 ENVO:03500014 ! has exposure stimulus near-infrared radiation [Term] id: ECTO:8000053 name: exposure to microwave radiation def: "A exposure event involving the interaction of an exposure receptor to microwave radiation." [] synonym: "microwave radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001212 ! has exposure stimulus microwave radiation relationship: RO:0002309 ENVO:21001212 ! has exposure stimulus microwave radiation [Term] id: ECTO:8000054 name: exposure to radiowave radiation def: "A exposure event involving the interaction of an exposure receptor to radio wave radiation." [] synonym: "radio wave radiation exposure" EXACT [] is_a: ECTO:0000002 ! exposure to electromagnetic radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:21001213 ! has exposure stimulus radio wave radiation relationship: RO:0002309 ENVO:21001213 ! has exposure stimulus radio wave radiation [Term] id: ECTO:8000055 name: exposure to ultrasound radiation def: "A exposure event involving the interaction of an exposure receptor to ultrasound radiation." [] synonym: "ultrasound radiation exposure" EXACT [] is_a: ECTO:8000044 ! exposure to sound radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03500012 ! has exposure stimulus ultrasound radiation relationship: RO:0002309 ENVO:03500012 ! has exposure stimulus ultrasound radiation [Term] id: ECTO:8000056 name: exposure to infrasound def: "A exposure event involving the interaction of an exposure receptor to infrasound." [] synonym: "infrasound exposure" EXACT [] is_a: ECTO:8000044 ! exposure to sound radiation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001566 ! has exposure stimulus infrasound relationship: RO:0002309 ENVO:01001566 ! has exposure stimulus infrasound [Term] id: ECTO:8000057 name: exposure to fire def: "A exposure event involving the interaction of an exposure receptor to fire." [] synonym: "fire exposure" EXACT [] is_a: ECTO:8000006 ! exposure to combusion process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01000786 ! has exposure stimulus fire relationship: RO:0002309 ENVO:01000786 ! has exposure stimulus fire [Term] id: ECTO:8000058 name: exposure to cyclone def: "A exposure event involving the interaction of an exposure receptor to cyclone." [] synonym: "cyclone exposure" EXACT [] is_a: ECTO:8000017 ! exposure to atmospheric process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001297 ! has exposure stimulus cyclone relationship: RO:0002309 ENVO:01001297 ! has exposure stimulus cyclone [Term] id: ECTO:8000059 name: exposure to acidic water-based rain def: "A exposure event involving the interaction of an exposure receptor to acidic water-based rain." [] synonym: "acidic water-based rain exposure" EXACT [] is_a: ECTO:1000027 ! exposure to rain intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:03000128 ! has exposure stimulus acidic water-based rain relationship: RO:0002309 ENVO:03000128 ! has exposure stimulus acidic water-based rain [Term] id: ECTO:8000060 name: exposure to vibration def: "A exposure event involving the interaction of an exposure receptor to vibration process." [] synonym: "vibration process exposure" EXACT [] is_a: ECTO:8000000 ! exposure to environmental process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 ENVO:01001759 ! has exposure stimulus vibration process relationship: RO:0002309 ENVO:01001759 ! has exposure stimulus vibration process [Term] id: ECTO:9000001 name: exposure to amlodipine def: "An exposure to amlodipine." [] synonym: "exposure to amlodipine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2668 ! has exposure stimulus amlodipine relationship: RO:0002309 CHEBI:2668 ! has exposure stimulus amlodipine [Term] id: ECTO:9000002 name: exposure to biguanide def: "An exposure to biguanide." [] synonym: "exposure to biguanide" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3095 ! has exposure stimulus biguanide relationship: RO:0002309 CHEBI:3095 ! has exposure stimulus biguanide [Term] id: ECTO:9000003 name: exposure to digitalin def: "An exposure to digitalin." [] synonym: "exposure to digitalin" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000436 ! exposure to glycoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28143 ! has exposure stimulus digitalin relationship: RO:0002309 CHEBI:28143 ! has exposure stimulus digitalin [Term] id: ECTO:9000004 name: exposure to nitroglycerin def: "An exposure to nitroglycerin." [] synonym: "exposure to nitroglycerin" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28787 ! has exposure stimulus nitroglycerin relationship: RO:0002309 CHEBI:28787 ! has exposure stimulus nitroglycerin [Term] id: ECTO:9000006 name: exposure to premarin def: "An exposure to estrone sodium sulfate." [] synonym: "exposure to estrone sodium sulfate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8389 ! has exposure stimulus estrone sodium sulfate relationship: RO:0002309 CHEBI:8389 ! has exposure stimulus estrone sodium sulfate [Term] id: ECTO:9000007 name: exposure to probucol def: "An exposure to probucol." [] synonym: "exposure to probucol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8427 ! has exposure stimulus probucol relationship: RO:0002309 CHEBI:8427 ! has exposure stimulus probucol [Term] id: ECTO:9000008 name: exposure to aspirin def: "An exposure to acetylsalicylic acid." [] synonym: "exposure to acetylsalicylic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15365 ! has exposure stimulus acetylsalicylic acid relationship: RO:0002309 CHEBI:15365 ! has exposure stimulus acetylsalicylic acid [Term] id: ECTO:9000009 name: exposure to diltiazem def: "An exposure to diltiazem." [] synonym: "exposure to diltiazem" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:101278 ! has exposure stimulus diltiazem relationship: RO:0002309 CHEBI:101278 ! has exposure stimulus diltiazem [Term] id: ECTO:9000010 name: exposure to estrogens def: "An exposure to estrogen." [] synonym: "exposure to estrogen" EXACT [] is_a: ECTO:9002127 ! exposure to sex hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50114 ! has exposure stimulus estrogen relationship: RO:0002309 CHEBI:50114 ! has exposure stimulus estrogen [Term] id: ECTO:9000011 name: exposure to heparin def: "An exposure to heparin." [] synonym: "exposure to heparin" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28304 ! has exposure stimulus heparin relationship: RO:0002309 CHEBI:28304 ! has exposure stimulus heparin [Term] id: ECTO:9000012 name: exposure to nifedipine def: "An exposure to nifedipine." [] synonym: "exposure to nifedipine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7565 ! has exposure stimulus nifedipine relationship: RO:0002309 CHEBI:7565 ! has exposure stimulus nifedipine [Term] id: ECTO:9000013 name: exposure to thiazolidinediones def: "An exposure to thiazolidinediones." [] synonym: "exposure to thiazolidinediones" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50990 ! has exposure stimulus thiazolidinediones relationship: RO:0002309 CHEBI:50990 ! has exposure stimulus thiazolidinediones [Term] id: ECTO:9000014 name: exposure to verapamil def: "An exposure to verapamil." [] synonym: "exposure to verapamil" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9948 ! has exposure stimulus verapamil relationship: RO:0002309 CHEBI:9948 ! has exposure stimulus verapamil [Term] id: ECTO:9000016 name: exposure to hydrogen chloride def: "An exposure to hydrogen chloride." [] synonym: "exposure to hydrogen chloride" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17883 ! has exposure stimulus hydrogen chloride relationship: RO:0002309 CHEBI:17883 ! has exposure stimulus hydrogen chloride [Term] id: ECTO:9000017 name: exposure to sulfuric acid def: "An exposure to sulfuric acid." [] synonym: "exposure to sulfuric acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26836 ! has exposure stimulus sulfuric acid relationship: RO:0002309 CHEBI:26836 ! has exposure stimulus sulfuric acid [Term] id: ECTO:9000018 name: exposure to phosphoric acid def: "An exposure to phosphoric acid." [] synonym: "exposure to phosphoric acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26078 ! has exposure stimulus phosphoric acid relationship: RO:0002309 CHEBI:26078 ! has exposure stimulus phosphoric acid [Term] id: ECTO:9000019 name: exposure to acetic acid def: "An exposure to acetic acid." [] synonym: "exposure to acetic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15366 ! has exposure stimulus acetic acid relationship: RO:0002309 CHEBI:15366 ! has exposure stimulus acetic acid [Term] id: ECTO:9000020 name: exposure to nitric acid def: "An exposure to nitric acid." [] synonym: "exposure to nitric acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48107 ! has exposure stimulus nitric acid relationship: RO:0002309 CHEBI:48107 ! has exposure stimulus nitric acid [Term] id: ECTO:9000021 name: exposure to alkali metal salt def: "An exposure to alkali metal salt." [] synonym: "exposure to alkali metal salt" EXACT [] is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35479 ! has exposure stimulus alkali metal salt relationship: RO:0002309 CHEBI:35479 ! has exposure stimulus alkali metal salt [Term] id: ECTO:9000022 name: exposure to sodium hydroxide def: "An exposure to sodium hydroxide." [] synonym: "exposure to sodium hydroxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32145 ! has exposure stimulus sodium hydroxide relationship: RO:0002309 CHEBI:32145 ! has exposure stimulus sodium hydroxide [Term] id: ECTO:9000023 name: exposure to magnesium hydroxide def: "An exposure to magnesium hydroxide." [] synonym: "exposure to magnesium hydroxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35149 ! has exposure stimulus magnesium hydroxide relationship: RO:0002309 CHEBI:35149 ! has exposure stimulus magnesium hydroxide [Term] id: ECTO:9000024 name: exposure to calcium hydroxide def: "An exposure to calcium hydroxide." [] synonym: "exposure to calcium hydroxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35150 ! has exposure stimulus calcium hydroxide relationship: RO:0002309 CHEBI:35150 ! has exposure stimulus calcium hydroxide [Term] id: ECTO:9000025 name: exposure to potassium hydroxide def: "An exposure to potassium hydroxide." [] synonym: "exposure to potassium hydroxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32035 ! has exposure stimulus potassium hydroxide relationship: RO:0002309 CHEBI:32035 ! has exposure stimulus potassium hydroxide [Term] id: ECTO:9000026 name: exposure to alcohol def: "An exposure to alcohol." [] synonym: "exposure to alcohol" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30879 ! has exposure stimulus alcohol relationship: RO:0002309 CHEBI:30879 ! has exposure stimulus alcohol [Term] id: ECTO:9000027 name: exposure to ethanol def: "An exposure to ethanol." [] synonym: "exposure to ethanol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16236 ! has exposure stimulus ethanol relationship: RO:0002309 CHEBI:16236 ! has exposure stimulus ethanol [Term] id: ECTO:9000028 name: exposure to methanol def: "An exposure to methanol." [] synonym: "exposure to methanol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17790 ! has exposure stimulus methanol relationship: RO:0002309 CHEBI:17790 ! has exposure stimulus methanol [Term] id: ECTO:9000029 name: exposure to aluminum def: "An exposure to aluminium molecular entity." [] synonym: "exposure to aluminium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33620 ! has exposure stimulus aluminium molecular entity relationship: RO:0002309 CHEBI:33620 ! has exposure stimulus aluminium molecular entity [Term] id: ECTO:9000030 name: exposure to aluminum oxides def: "An exposure to aluminium oxides." [] synonym: "exposure to aluminium oxides" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000029 ! exposure to aluminum is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33623 ! has exposure stimulus aluminium oxides relationship: RO:0002309 CHEBI:33623 ! has exposure stimulus aluminium oxides [Term] id: ECTO:9000031 name: exposure to ammonia def: "An exposure to ammonia." [] synonym: "exposure to ammonia" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16134 ! has exposure stimulus ammonia relationship: RO:0002309 CHEBI:16134 ! has exposure stimulus ammonia [Term] id: ECTO:9000032 name: exposure to arsenic def: "An exposure to arsenic molecular entity." [] synonym: "exposure to arsenic molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22632 ! has exposure stimulus arsenic molecular entity relationship: RO:0002309 CHEBI:22632 ! has exposure stimulus arsenic molecular entity [Term] id: ECTO:9000033 name: exposure to asbestos def: "An exposure to asbestos." [] synonym: "exposure to asbestos" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46661 ! has exposure stimulus asbestos relationship: RO:0002309 CHEBI:46661 ! has exposure stimulus asbestos [Term] id: ECTO:9000034 name: exposure to benzene def: "An exposure to benzene." [] synonym: "exposure to benzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16716 ! has exposure stimulus benzene relationship: RO:0002309 CHEBI:16716 ! has exposure stimulus benzene [Term] id: ECTO:9000035 name: exposure to xylene def: "An exposure to xylene." [] synonym: "exposure to xylene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27338 ! has exposure stimulus xylene relationship: RO:0002309 CHEBI:27338 ! has exposure stimulus xylene [Term] id: ECTO:9000036 name: exposure to toluene def: "An exposure to toluene." [] synonym: "exposure to toluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17578 ! has exposure stimulus toluene relationship: RO:0002309 CHEBI:17578 ! has exposure stimulus toluene [Term] id: ECTO:9000037 name: exposure to chromium def: "An exposure to chromium molecular entity." [] synonym: "exposure to chromium molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23237 ! has exposure stimulus chromium molecular entity relationship: RO:0002309 CHEBI:23237 ! has exposure stimulus chromium molecular entity [Term] id: ECTO:9000038 name: exposure to chromate(2-) def: "An exposure to chromate(2-)." [] synonym: "exposure to chromate(2-)" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000037 ! exposure to chromium is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35404 ! has exposure stimulus chromate(2-) relationship: RO:0002309 CHEBI:35404 ! has exposure stimulus chromate(2-) [Term] id: ECTO:9000039 name: exposure to 1,2-dichloroethane def: "An exposure to 1,2-dichloroethane." [] synonym: "exposure to 1,2-dichloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27789 ! has exposure stimulus 1,2-dichloroethane relationship: RO:0002309 CHEBI:27789 ! has exposure stimulus 1,2-dichloroethane [Term] id: ECTO:9000042 name: exposure to chloroform def: "An exposure to chloroform." [] synonym: "exposure to chloroform" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35255 ! has exposure stimulus chloroform relationship: RO:0002309 CHEBI:35255 ! has exposure stimulus chloroform [Term] id: ECTO:9000043 name: exposure to chloroprene def: "An exposure to chloroprene." [] synonym: "exposure to chloroprene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39481 ! has exposure stimulus chloroprene relationship: RO:0002309 CHEBI:39481 ! has exposure stimulus chloroprene [Term] id: ECTO:9000044 name: exposure to ketone def: "An exposure to ketone." [] synonym: "exposure to ketone" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17087 ! has exposure stimulus ketone relationship: RO:0002309 CHEBI:17087 ! has exposure stimulus ketone [Term] id: ECTO:9000045 name: exposure to dichloromethane def: "An exposure to dichloromethane." [] synonym: "exposure to dichloromethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15767 ! has exposure stimulus dichloromethane relationship: RO:0002309 CHEBI:15767 ! has exposure stimulus dichloromethane [Term] id: ECTO:9000048 name: exposure to tetrachloromethane def: "An exposure to tetrachloromethane." [] synonym: "exposure to carbon tetrachloride" EXACT [] synonym: "exposure to tetrachloromethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27385 ! has exposure stimulus tetrachloromethane relationship: RO:0002309 CHEBI:27385 ! has exposure stimulus tetrachloromethane [Term] id: ECTO:9000049 name: exposure to carbon dioxide def: "An exposure to carbon dioxide." [] synonym: "exposure to carbon dioxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16526 ! has exposure stimulus carbon dioxide relationship: RO:0002309 CHEBI:16526 ! has exposure stimulus carbon dioxide [Term] id: ECTO:9000051 name: exposure to dinitrogen oxide def: "An exposure to dinitrogen oxide." [] synonym: "exposure to dinitrogen oxide" EXACT [] synonym: "exposure to nitrous oxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17045 ! has exposure stimulus dinitrogen oxide relationship: RO:0002309 CHEBI:17045 ! has exposure stimulus dinitrogen oxide [Term] id: ECTO:9000052 name: exposure to ozone def: "An exposure to ozone." [] synonym: "exposure to ozone" EXACT [] is_a: ECTO:9000150 ! exposure to reactive oxygen species is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25812 ! has exposure stimulus ozone relationship: RO:0002309 CHEBI:25812 ! has exposure stimulus ozone [Term] id: ECTO:9000055 name: exposure to talc def: "An exposure to Talc." [] synonym: "exposure to Talc" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32178 ! has exposure stimulus Talc relationship: RO:0002309 CHEBI:32178 ! has exposure stimulus Talc [Term] id: ECTO:9000056 name: exposure to biphenyls def: "An exposure to biphenyls." [] synonym: "exposure to biphenyls" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22888 ! has exposure stimulus biphenyls relationship: RO:0002309 CHEBI:22888 ! has exposure stimulus biphenyls [Term] id: ECTO:9000057 name: exposure to bisphenol A def: "An exposure to bisphenol A." [] synonym: "exposure to bisphenol A" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33216 ! has exposure stimulus bisphenol A relationship: RO:0002309 CHEBI:33216 ! has exposure stimulus bisphenol A [Term] id: ECTO:9000058 name: exposure to dichlorobenzene def: "An exposure to dichlorobenzene." [] synonym: "exposure to dichlorobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23697 ! has exposure stimulus dichlorobenzene relationship: RO:0002309 CHEBI:23697 ! has exposure stimulus dichlorobenzene [Term] id: ECTO:9000059 name: exposure to ethylbenzene def: "An exposure to ethylbenzene." [] synonym: "exposure to ethylbenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16101 ! has exposure stimulus ethylbenzene relationship: RO:0002309 CHEBI:16101 ! has exposure stimulus ethylbenzene [Term] id: ECTO:9000060 name: exposure to 1,2-dibromoethane def: "An exposure to 1,2-dibromoethane." [] synonym: "exposure to 1,2-dibromoethane" EXACT [] synonym: "exposure to ethyl dibromide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28534 ! has exposure stimulus 1,2-dibromoethane relationship: RO:0002309 CHEBI:28534 ! has exposure stimulus 1,2-dibromoethane [Term] id: ECTO:9000062 name: exposure to coal-tar pitch def: "An exposure to Coal-tar pitch." [] synonym: "exposure to Coal-tar pitch" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:80501 ! has exposure stimulus Coal-tar pitch relationship: RO:0002309 CHEBI:80501 ! has exposure stimulus Coal-tar pitch [Term] id: ECTO:9000063 name: exposure to nickel def: "An exposure to nickel molecular entity." [] synonym: "exposure to nickel molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33748 ! has exposure stimulus nickel molecular entity relationship: RO:0002309 CHEBI:33748 ! has exposure stimulus nickel molecular entity [Term] id: ECTO:9000064 name: exposure to chloroethane def: "An exposure to chloroethane." [] synonym: "exposure to chloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47554 ! has exposure stimulus chloroethane relationship: RO:0002309 CHEBI:47554 ! has exposure stimulus chloroethane [Term] id: ECTO:9000065 name: exposure to 2-methoxyethanol def: "An exposure to 2-methoxyethanol." [] synonym: "exposure to 2-methoxyethanol" EXACT [] is_a: ECTO:9002161 ! exposure to glycol ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46790 ! has exposure stimulus 2-methoxyethanol relationship: RO:0002309 CHEBI:46790 ! has exposure stimulus 2-methoxyethanol [Term] id: ECTO:9000066 name: exposure to 2-ethoxyethanol def: "An exposure to 2-ethoxyethanol." [] synonym: "exposure to 2-ethoxyethanol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9002161 ! exposure to glycol ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46788 ! has exposure stimulus 2-ethoxyethanol relationship: RO:0002309 CHEBI:46788 ! has exposure stimulus 2-ethoxyethanol [Term] id: ECTO:9000067 name: exposure to 2-butoxyethanol def: "An exposure to 2-butoxyethanol." [] synonym: "exposure to 2-butoxyethanol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9002161 ! exposure to glycol ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63921 ! has exposure stimulus 2-butoxyethanol relationship: RO:0002309 CHEBI:63921 ! has exposure stimulus 2-butoxyethanol [Term] id: ECTO:9000068 name: exposure to polychlorobiphenyl def: "An exposure to polychlorobiphenyl." [] synonym: "exposure to polychlorinated biphenyl" EXACT [] synonym: "exposure to polychlorobiphenyl" EXACT [] is_a: ECTO:9001537 ! exposure to polychlorinated dibenzodioxines and related compounds is_a: ECTO:9002155 ! exposure to chlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53156 ! has exposure stimulus polychlorobiphenyl relationship: RO:0002309 CHEBI:53156 ! has exposure stimulus polychlorobiphenyl [Term] id: ECTO:9000069 name: exposure to styrene def: "An exposure to styrene." [] synonym: "exposure to styrene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27452 ! has exposure stimulus styrene relationship: RO:0002309 CHEBI:27452 ! has exposure stimulus styrene [Term] id: ECTO:9000070 name: exposure to phosgene def: "An exposure to phosgene." [] synonym: "exposure to phosgene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29365 ! has exposure stimulus phosgene relationship: RO:0002309 CHEBI:29365 ! has exposure stimulus phosgene [Term] id: ECTO:9000071 name: exposure to phenol def: "An exposure to phenol." [] synonym: "exposure to phenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15882 ! has exposure stimulus phenol relationship: RO:0002309 CHEBI:15882 ! has exposure stimulus phenol [Term] id: ECTO:9000073 name: exposure to silicon dioxide def: "An exposure to silicon dioxide." [] synonym: "exposure to silicon dioxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30563 ! has exposure stimulus silicon dioxide relationship: RO:0002309 CHEBI:30563 ! has exposure stimulus silicon dioxide [Term] id: ECTO:9000074 name: exposure to tetrachloroethene def: "An exposure to tetrachloroethene." [] synonym: "exposure to perchloroethylene" EXACT [] synonym: "exposure to tetrachloroethene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17300 ! has exposure stimulus tetrachloroethene relationship: RO:0002309 CHEBI:17300 ! has exposure stimulus tetrachloroethene [Term] id: ECTO:9000075 name: obsolete trichloroethene exposure is_obsolete: true replaced_by: ECTO:9000530 [Term] id: ECTO:9000076 name: exposure to sodium hypochlorite def: "An exposure to sodium hypochlorite." [] synonym: "exposure to chlorine bleach" EXACT [] synonym: "exposure to sodium hypochlorite" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32146 ! has exposure stimulus sodium hypochlorite relationship: RO:0002309 CHEBI:32146 ! has exposure stimulus sodium hypochlorite [Term] id: ECTO:9000077 name: exposure to chlorine def: "An exposure to chlorine molecular entity." [] synonym: "exposure to chlorine molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23117 ! has exposure stimulus chlorine molecular entity relationship: RO:0002309 CHEBI:23117 ! has exposure stimulus chlorine molecular entity [Term] id: ECTO:9000078 name: exposure to triclosan def: "An exposure to triclosan." [] synonym: "exposure to triclosan" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:164200 ! has exposure stimulus triclosan relationship: RO:0002309 CHEBI:164200 ! has exposure stimulus triclosan [Term] id: ECTO:9000079 name: exposure to polyvinyl acetate def: "An exposure to poly(vinyl acetate)." [] synonym: "exposure to poly(vinyl acetate)" EXACT [] synonym: "exposure to white glue" EXACT [] synonym: "exposure to wood glue" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32028 ! has exposure stimulus poly(vinyl acetate) relationship: RO:0002309 CHEBI:32028 ! has exposure stimulus poly(vinyl acetate) [Term] id: ECTO:9000081 name: exposure to urethane def: "An exposure to urethane." [] synonym: "exposure to urethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17967 ! has exposure stimulus urethane relationship: RO:0002309 CHEBI:17967 ! has exposure stimulus urethane [Term] id: ECTO:9000082 name: exposure to polyurethane polymer def: "An exposure to polyurethane polymer." [] synonym: "exposure to polyurethane polymer" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60737 ! has exposure stimulus polyurethane polymer relationship: RO:0002309 CHEBI:60737 ! has exposure stimulus polyurethane polymer [Term] id: ECTO:9000083 name: exposure to butanone def: "An exposure to butanone." [] synonym: "exposure to butanone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22951 ! has exposure stimulus butanone relationship: RO:0002309 CHEBI:22951 ! has exposure stimulus butanone [Term] id: ECTO:9000084 name: exposure to iodine def: "An exposure to iodine molecular entity." [] synonym: "exposure to iodine molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24860 ! has exposure stimulus iodine molecular entity relationship: RO:0002309 CHEBI:24860 ! has exposure stimulus iodine molecular entity [Term] id: ECTO:9000085 name: exposure to acetone def: "An exposure to acetone." [] synonym: "exposure to acetone" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15347 ! has exposure stimulus acetone relationship: RO:0002309 CHEBI:15347 ! has exposure stimulus acetone [Term] id: ECTO:9000087 name: exposure to iron def: "An exposure to iron molecular entity." [] synonym: "exposure to iron molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24873 ! has exposure stimulus iron molecular entity relationship: RO:0002309 CHEBI:24873 ! has exposure stimulus iron molecular entity [Term] id: ECTO:9000089 name: exposure to insecticide def: "An exposure to insecticide." [] synonym: "exposure to insecticide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24852 ! has exposure stimulus insecticide relationship: RO:0002309 CHEBI:24852 ! has exposure stimulus insecticide [Term] id: ECTO:9000090 name: exposure to rodenticide def: "An exposure to rodenticide." [] synonym: "exposure to rodenticide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33288 ! has exposure stimulus rodenticide relationship: RO:0002309 CHEBI:33288 ! has exposure stimulus rodenticide [Term] id: ECTO:9000091 name: exposure to fertilizer def: "An exposure to fertilizer." [] synonym: "exposure to fertilizer" EXACT [] is_a: ECTO:9001696 ! exposure to agrochemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33287 ! has exposure stimulus fertilizer relationship: RO:0002309 CHEBI:33287 ! has exposure stimulus fertilizer [Term] id: ECTO:9000092 name: exposure to fungicide def: "An exposure to fungicide." [] synonym: "exposure to fungicide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide is_a: ECTO:9001749 ! exposure to antifungal agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24127 ! has exposure stimulus fungicide relationship: RO:0002309 CHEBI:24127 ! has exposure stimulus fungicide [Term] id: ECTO:9000094 name: exposure to perfluorooctane-1-sulfonic acid def: "An exposure to perfluorooctane-1-sulfonic acid." [] synonym: "exposure to perfluorooctane-1-sulfonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39421 ! has exposure stimulus perfluorooctane-1-sulfonic acid relationship: RO:0002309 CHEBI:39421 ! has exposure stimulus perfluorooctane-1-sulfonic acid [Term] id: ECTO:9000095 name: exposure to perfluorooctanoic acid def: "An exposure to perfluorooctanoic acid." [] synonym: "exposure to perfluorooctanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35549 ! has exposure stimulus perfluorooctanoic acid relationship: RO:0002309 CHEBI:35549 ! has exposure stimulus perfluorooctanoic acid [Term] id: ECTO:9000096 name: exposure to methyl tert-butyl ether def: "An exposure to methyl tert-butyl ether." [] synonym: "exposure to methyl tert-butyl ether" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27642 ! has exposure stimulus methyl tert-butyl ether relationship: RO:0002309 CHEBI:27642 ! has exposure stimulus methyl tert-butyl ether [Term] id: ECTO:9000097 name: exposure to radon def: "An exposure to radon molecular entity." [] synonym: "exposure to radon molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36911 ! has exposure stimulus radon molecular entity relationship: RO:0002309 CHEBI:36911 ! has exposure stimulus radon molecular entity [Term] id: ECTO:9000098 name: exposure to methyl bromide def: "An exposure to bromomethane." [] synonym: "exposure to bromomethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39275 ! has exposure stimulus bromomethane relationship: RO:0002309 CHEBI:39275 ! has exposure stimulus bromomethane [Term] id: ECTO:9000099 name: exposure to propan-2-ol def: "An exposure to propan-2-ol." [] synonym: "exposure to isopropanol" EXACT [] synonym: "exposure to isopropyl alcohol" EXACT [] synonym: "exposure to propan-2-ol" EXACT [] synonym: "exposure to rubbing alcohol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17824 ! has exposure stimulus propan-2-ol relationship: RO:0002309 CHEBI:17824 ! has exposure stimulus propan-2-ol [Term] id: ECTO:9000100 name: exposure to butan-1-ol def: "An exposure to butan-1-ol." [] synonym: "exposure to butan-1-ol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28885 ! has exposure stimulus butan-1-ol relationship: RO:0002309 CHEBI:28885 ! has exposure stimulus butan-1-ol [Term] id: ECTO:9000101 name: exposure to toluene meta-diisocyanate def: "An exposure to toluene meta-diisocyanate." [] synonym: "exposure to toluene meta-diisocyanate" EXACT [] is_a: ECTO:9001309 ! exposure to diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53555 ! has exposure stimulus toluene meta-diisocyanate relationship: RO:0002309 CHEBI:53555 ! has exposure stimulus toluene meta-diisocyanate [Term] id: ECTO:9000102 name: exposure to toluene 2,6-diisocyanate def: "An exposure to toluene 2,6-diisocyanate." [] synonym: "exposure to toluene 2,6-diisocyanate" EXACT [] is_a: ECTO:9000101 ! exposure to toluene meta-diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53557 ! has exposure stimulus toluene 2,6-diisocyanate relationship: RO:0002309 CHEBI:53557 ! has exposure stimulus toluene 2,6-diisocyanate [Term] id: ECTO:9000103 name: exposure to toluene 2,4-diisocyanate def: "An exposure to toluene 2,4-diisocyanate." [] synonym: "exposure to toluene 2,4-diisocyanate" EXACT [] is_a: ECTO:9000101 ! exposure to toluene meta-diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53556 ! has exposure stimulus toluene 2,4-diisocyanate relationship: RO:0002309 CHEBI:53556 ! has exposure stimulus toluene 2,4-diisocyanate [Term] id: ECTO:9000104 name: exposure to diphenylmethane-4,4'-diisocyanate def: "An exposure to diphenylmethane-4,4'-diisocyanate." [] synonym: "exposure to diphenylmethane-4,4'-diisocyanate" EXACT [] is_a: ECTO:9001309 ! exposure to diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53218 ! has exposure stimulus diphenylmethane-4,4'-diisocyanate relationship: RO:0002309 CHEBI:53218 ! has exposure stimulus diphenylmethane-4,4'-diisocyanate [Term] id: ECTO:9000105 name: exposure to uranium def: "An exposure to uranium molecular entity." [] synonym: "exposure to uranium molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33499 ! has exposure stimulus uranium molecular entity relationship: RO:0002309 CHEBI:33499 ! has exposure stimulus uranium molecular entity [Term] id: ECTO:9000106 name: exposure to polymer def: "An exposure to polymer." [] synonym: "exposure to polymer" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60027 ! has exposure stimulus polymer relationship: RO:0002309 CHEBI:60027 ! has exposure stimulus polymer [Term] id: ECTO:9000107 name: exposure to solvent def: "An exposure to solvent." [] synonym: "exposure to solvent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46787 ! has exposure stimulus solvent relationship: RO:0002309 CHEBI:46787 ! has exposure stimulus solvent [Term] id: ECTO:9000108 name: exposure to sodium carbonate def: "An exposure to sodium carbonate." [] synonym: "exposure to sodium carbonate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29377 ! has exposure stimulus sodium carbonate relationship: RO:0002309 CHEBI:29377 ! has exposure stimulus sodium carbonate [Term] id: ECTO:9000109 name: exposure to sodium silicate def: "An exposure to sodium silicate." [] synonym: "exposure to sodium silicate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60720 ! has exposure stimulus sodium silicate relationship: RO:0002309 CHEBI:60720 ! has exposure stimulus sodium silicate [Term] id: ECTO:9000110 name: exposure to EDTA(2-) def: "An exposure to EDTA(2-)." [] synonym: "exposure to EDTA(2-)" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64755 ! has exposure stimulus EDTA(2-) relationship: RO:0002309 CHEBI:64755 ! has exposure stimulus EDTA(2-) [Term] id: ECTO:9000111 name: exposure to hexane def: "An exposure to hexane." [] synonym: "exposure to hexane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29021 ! has exposure stimulus hexane relationship: RO:0002309 CHEBI:29021 ! has exposure stimulus hexane [Term] id: ECTO:9000112 name: exposure to heptane def: "An exposure to heptane." [] synonym: "exposure to heptane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:43098 ! has exposure stimulus heptane relationship: RO:0002309 CHEBI:43098 ! has exposure stimulus heptane [Term] id: ECTO:9000113 name: exposure to rubber particle def: "An exposure to rubber particle." [] synonym: "exposure to rubber particle" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28798 ! has exposure stimulus rubber particle relationship: RO:0002309 CHEBI:28798 ! has exposure stimulus rubber particle [Term] id: ECTO:9000114 name: exposure to epichlorohydrin def: "An exposure to epichlorohydrin." [] synonym: "exposure to epichlorohydrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37144 ! has exposure stimulus epichlorohydrin relationship: RO:0002309 CHEBI:37144 ! has exposure stimulus epichlorohydrin [Term] id: ECTO:9000115 name: exposure to polyethylene polymer def: "An exposure to polyethylene polymer." [] synonym: "exposure to polyethylene polymer" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60034 ! has exposure stimulus polyethylene polymer relationship: RO:0002309 CHEBI:60034 ! has exposure stimulus polyethylene polymer [Term] id: ECTO:9000116 name: exposure to alpha-pinene def: "An exposure to alpha-pinene." [] synonym: "exposure to alpha-pinene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36740 ! has exposure stimulus alpha-pinene relationship: RO:0002309 CHEBI:36740 ! has exposure stimulus alpha-pinene [Term] id: ECTO:9000117 name: exposure to beta-pinene def: "An exposure to beta-pinene." [] synonym: "exposure to beta-pinene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50025 ! has exposure stimulus beta-pinene relationship: RO:0002309 CHEBI:50025 ! has exposure stimulus beta-pinene [Term] id: ECTO:9000118 name: exposure to citronellol def: "An exposure to citronellol." [] synonym: "exposure to citronellol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50462 ! has exposure stimulus citronellol relationship: RO:0002309 CHEBI:50462 ! has exposure stimulus citronellol [Term] id: ECTO:9000119 name: exposure to citronellal def: "An exposure to citronellal." [] synonym: "exposure to citronellal" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47856 ! has exposure stimulus citronellal relationship: RO:0002309 CHEBI:47856 ! has exposure stimulus citronellal [Term] id: ECTO:9000120 name: exposure to geraniol def: "An exposure to geraniol." [] synonym: "exposure to geraniol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17447 ! has exposure stimulus geraniol relationship: RO:0002309 CHEBI:17447 ! has exposure stimulus geraniol [Term] id: ECTO:9000121 name: exposure to N,N-diethyl-m-toluamide def: "An exposure to N,N-diethyl-m-toluamide." [] synonym: "exposure to N,N-diethyl-m-toluamide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7071 ! has exposure stimulus N,N-diethyl-m-toluamide relationship: RO:0002309 CHEBI:7071 ! has exposure stimulus N,N-diethyl-m-toluamide [Term] id: ECTO:9000122 name: exposure to cyfluthrin def: "An exposure to cyfluthrin." [] synonym: "exposure to cyfluthrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4034 ! has exposure stimulus cyfluthrin relationship: RO:0002309 CHEBI:4034 ! has exposure stimulus cyfluthrin [Term] id: ECTO:9000123 name: exposure to folic acid def: "An exposure to folic acid." [] synonym: "exposure to folic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27470 ! has exposure stimulus folic acid relationship: RO:0002309 CHEBI:27470 ! has exposure stimulus folic acid [Term] id: ECTO:9000124 name: exposure to 5-methyltetrahydrofolate def: "An exposure to 5-methyltetrahydrofolate." [] synonym: "exposure to 5-methyltetrahydrofolate" EXACT [] is_a: ECTO:9000476 ! exposure to tetrahydrofolate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:20612 ! has exposure stimulus 5-methyltetrahydrofolate relationship: RO:0002309 CHEBI:20612 ! has exposure stimulus 5-methyltetrahydrofolate [Term] id: ECTO:9000125 name: exposure to vitamin A def: "An exposure to vitamin A." [] synonym: "exposure to vitamin A" EXACT [] is_a: ECTO:9001346 ! exposure to retinoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:12777 ! has exposure stimulus vitamin A relationship: RO:0002309 CHEBI:12777 ! has exposure stimulus vitamin A [Term] id: ECTO:9000126 name: exposure to beta-carotene def: "An exposure to beta-carotene." [] synonym: "exposure to beta-carotene" EXACT [] is_a: ECTO:9000125 ! exposure to vitamin A intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17579 ! has exposure stimulus beta-carotene relationship: RO:0002309 CHEBI:17579 ! has exposure stimulus beta-carotene [Term] id: ECTO:9000127 name: exposure to retinyl palmitate def: "An exposure to retinyl palmitate." [] synonym: "exposure to retinyl palmitate" EXACT [] is_a: ECTO:9000125 ! exposure to vitamin A intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15040 ! has exposure stimulus retinyl palmitate relationship: RO:0002309 CHEBI:15040 ! has exposure stimulus retinyl palmitate [Term] id: ECTO:9000128 name: exposure to all-trans-retinol def: "An exposure to all-trans-retinol." [] synonym: "exposure to all-trans-retinol" EXACT [] is_a: ECTO:9000125 ! exposure to vitamin A is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17336 ! has exposure stimulus all-trans-retinol relationship: RO:0002309 CHEBI:17336 ! has exposure stimulus all-trans-retinol [Term] id: ECTO:9000129 name: exposure to all-trans-retinal def: "An exposure to all-trans-retinal." [] synonym: "exposure to all-trans-retinal" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17898 ! has exposure stimulus all-trans-retinal relationship: RO:0002309 CHEBI:17898 ! has exposure stimulus all-trans-retinal [Term] id: ECTO:9000130 name: exposure to 11-cis-retinal def: "An exposure to 11-cis-retinal." [] synonym: "exposure to 11-cis-retinal" EXACT [] is_a: ECTO:9001346 ! exposure to retinoid is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16066 ! has exposure stimulus 11-cis-retinal relationship: RO:0002309 CHEBI:16066 ! has exposure stimulus 11-cis-retinal [Term] id: ECTO:9000131 name: exposure to all-trans-retinoic acid def: "An exposure to all-trans-retinoic acid." [] synonym: "exposure to all-trans-retinoic acid" EXACT [] is_a: ECTO:9000125 ! exposure to vitamin A is_a: ECTO:9000216 ! exposure to retinoic acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15367 ! has exposure stimulus all-trans-retinoic acid relationship: RO:0002309 CHEBI:15367 ! has exposure stimulus all-trans-retinoic acid [Term] id: ECTO:9000132 name: exposure to 9-cis-retinoic acid def: "An exposure to 9-cis-retinoic acid." [] synonym: "exposure to 9-cis-retinoic acid" EXACT [] is_a: ECTO:9000216 ! exposure to retinoic acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50648 ! has exposure stimulus 9-cis-retinoic acid relationship: RO:0002309 CHEBI:50648 ! has exposure stimulus 9-cis-retinoic acid [Term] id: ECTO:9000133 name: exposure to vitamin D def: "An exposure to vitamin D." [] synonym: "exposure to vitamin D" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27300 ! has exposure stimulus vitamin D relationship: RO:0002309 CHEBI:27300 ! has exposure stimulus vitamin D [Term] id: ECTO:9000134 name: exposure to vitamin D2 def: "An exposure to vitamin D2." [] synonym: "exposure to vitamin D2" EXACT [] is_a: ECTO:9000133 ! exposure to vitamin D intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28934 ! has exposure stimulus vitamin D2 relationship: RO:0002309 CHEBI:28934 ! has exposure stimulus vitamin D2 [Term] id: ECTO:9000135 name: exposure to vitamin D3 def: "An exposure to D3 vitamins." [] synonym: "exposure to D3 vitamins" EXACT [] is_a: ECTO:9000133 ! exposure to vitamin D intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73558 ! has exposure stimulus D3 vitamins relationship: RO:0002309 CHEBI:73558 ! has exposure stimulus D3 vitamins [Term] id: ECTO:9000136 name: exposure to tocopherol def: "An exposure to tocopherol." [] synonym: "exposure to tocopherol" EXACT [] is_a: ECTO:9000224 ! exposure to vitamin E intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27013 ! has exposure stimulus tocopherol relationship: RO:0002309 CHEBI:27013 ! has exposure stimulus tocopherol [Term] id: ECTO:9000137 name: exposure to (+)-alpha-tocopherol def: "An exposure to (R,R,R)-alpha-tocopherol." [] synonym: "exposure to (R,R,R)-alpha-tocopherol" EXACT [] is_a: ECTO:9001341 ! exposure to alpha-tocopherol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18145 ! has exposure stimulus (R,R,R)-alpha-tocopherol relationship: RO:0002309 CHEBI:18145 ! has exposure stimulus (R,R,R)-alpha-tocopherol [Term] id: ECTO:9000138 name: exposure to (-)-alpha-tocopherol def: "An exposure to (S,S,S)-alpha-tocopherol." [] synonym: "exposure to (S,S,S)-alpha-tocopherol" EXACT [] is_a: ECTO:9001341 ! exposure to alpha-tocopherol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46430 ! has exposure stimulus (S,S,S)-alpha-tocopherol relationship: RO:0002309 CHEBI:46430 ! has exposure stimulus (S,S,S)-alpha-tocopherol [Term] id: ECTO:9000139 name: exposure to vitamin K def: "An exposure to vitamin K." [] synonym: "exposure to vitamin K" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9001246 ! exposure to quinone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28384 ! has exposure stimulus vitamin K relationship: RO:0002309 CHEBI:28384 ! has exposure stimulus vitamin K [Term] id: ECTO:9000140 name: exposure to phylloquinone def: "An exposure to phylloquinone." [] synonym: "exposure to phylloquinone" EXACT [] is_a: ECTO:9000139 ! exposure to vitamin K intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18067 ! has exposure stimulus phylloquinone relationship: RO:0002309 CHEBI:18067 ! has exposure stimulus phylloquinone [Term] id: ECTO:9000141 name: exposure to menaquinone def: "An exposure to menaquinone." [] synonym: "exposure to menaquinone" EXACT [] is_a: ECTO:9000139 ! exposure to vitamin K intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16374 ! has exposure stimulus menaquinone relationship: RO:0002309 CHEBI:16374 ! has exposure stimulus menaquinone [Term] id: ECTO:9000142 name: exposure to menadione def: "An exposure to menadione." [] synonym: "exposure to menadione" EXACT [] is_a: ECTO:9000139 ! exposure to vitamin K intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28869 ! has exposure stimulus menadione relationship: RO:0002309 CHEBI:28869 ! has exposure stimulus menadione [Term] id: ECTO:9000143 name: exposure to vitamin C def: "An exposure to http://purl.obolibrary.org/obo/CHEBI_21241." [] synonym: "exposure to http://purl.obolibrary.org/obo/CHEBI_21241" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:21241 ! has exposure stimulus relationship: RO:0002309 CHEBI:21241 ! has exposure stimulus [Term] id: ECTO:9000144 name: exposure to L-ascorbic acid def: "An exposure to L-ascorbic acid." [] synonym: "exposure to L-ascorbic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000145 ! exposure to ascorbic acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29073 ! has exposure stimulus L-ascorbic acid relationship: RO:0002309 CHEBI:29073 ! has exposure stimulus L-ascorbic acid [Term] id: ECTO:9000145 name: exposure to ascorbic acid def: "An exposure to ascorbic acid." [] synonym: "exposure to ascorbic acid" EXACT [] is_a: ECTO:9000239 ! exposure to monosaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22652 ! has exposure stimulus ascorbic acid relationship: RO:0002309 CHEBI:22652 ! has exposure stimulus ascorbic acid [Term] id: ECTO:9000146 name: exposure to sodium ascorbate def: "An exposure to sodium ascorbate." [] synonym: "exposure to sodium ascorbate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:113451 ! has exposure stimulus sodium ascorbate relationship: RO:0002309 CHEBI:113451 ! has exposure stimulus sodium ascorbate [Term] id: ECTO:9000147 name: exposure to thiamine def: "An exposure to vitamin B1." [] synonym: "exposure to vitamin B1" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26948 ! has exposure stimulus vitamin B1 relationship: RO:0002309 CHEBI:26948 ! has exposure stimulus vitamin B1 [Term] id: ECTO:9000148 name: exposure to thiamine hydrochloride def: "An exposure to thiamine hydrochloride." [] synonym: "exposure to thiamine hydrochloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000147 ! exposure to thiamine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49105 ! has exposure stimulus thiamine hydrochloride relationship: RO:0002309 CHEBI:49105 ! has exposure stimulus thiamine hydrochloride [Term] id: ECTO:9000149 name: exposure to riboflavin def: "An exposure to riboflavin." [] synonym: "exposure to riboflavin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17015 ! has exposure stimulus riboflavin relationship: RO:0002309 CHEBI:17015 ! has exposure stimulus riboflavin [Term] id: ECTO:9000150 name: exposure to reactive oxygen species def: "An exposure to reactive oxygen species." [] synonym: "exposure to reactive oxygen species" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26523 ! has exposure stimulus reactive oxygen species relationship: RO:0002309 CHEBI:26523 ! has exposure stimulus reactive oxygen species [Term] id: ECTO:9000151 name: exposure to superoxide def: "An exposure to superoxide." [] synonym: "exposure to superoxide" EXACT [] is_a: ECTO:9000153 ! exposure to oxygen radical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18421 ! has exposure stimulus superoxide relationship: RO:0002309 CHEBI:18421 ! has exposure stimulus superoxide [Term] id: ECTO:9000152 name: exposure to singlet dioxygen def: "An exposure to singlet dioxygen." [] synonym: "exposure to singlet dioxygen" EXACT [] is_a: ECTO:9000150 ! exposure to reactive oxygen species is_a: ECTO:9000519 ! exposure to dioxygen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26689 ! has exposure stimulus singlet dioxygen relationship: RO:0002309 CHEBI:26689 ! has exposure stimulus singlet dioxygen [Term] id: ECTO:9000153 name: exposure to oxygen radical def: "An exposure to oxygen radical." [] synonym: "exposure to oxygen radical" EXACT [] is_a: ECTO:9000150 ! exposure to reactive oxygen species is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61073 ! has exposure stimulus oxygen radical relationship: RO:0002309 CHEBI:61073 ! has exposure stimulus oxygen radical [Term] id: ECTO:9000154 name: exposure to amphetamine def: "An exposure to amphetamine." [] synonym: "exposure to amphetamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2679 ! has exposure stimulus amphetamine relationship: RO:0002309 CHEBI:2679 ! has exposure stimulus amphetamine [Term] id: ECTO:9000155 name: exposure to lipid hydroperoxide def: "An exposure to lipid hydroperoxide." [] synonym: "exposure to lipid hydroperoxide" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000222 ! exposure to hydroperoxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61051 ! has exposure stimulus lipid hydroperoxide relationship: RO:0002309 CHEBI:61051 ! has exposure stimulus lipid hydroperoxide [Term] id: ECTO:9000156 name: exposure to water def: "An exposure to water." [] synonym: "exposure to water" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15377 ! has exposure stimulus water relationship: RO:0002309 CHEBI:15377 ! has exposure stimulus water [Term] id: ECTO:9000157 name: exposure to photon def: "An exposure to photon." [] synonym: "exposure to photon" EXACT [] is_a: ExO:0000002 ! exposure event is_a: RO:0002310 ! exposure event or process intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30212 ! has exposure stimulus photon relationship: RO:0002309 CHEBI:30212 ! has exposure stimulus photon [Term] id: ECTO:9000158 name: exposure to ethene def: "An exposure to ethene." [] synonym: "exposure to ethene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18153 ! has exposure stimulus ethene relationship: RO:0002309 CHEBI:18153 ! has exposure stimulus ethene [Term] id: ECTO:9000159 name: exposure to 2-cis-abscisic acid def: "An exposure to 2-cis-abscisic acid." [] synonym: "exposure to 2-cis-abscisic acid" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22152 ! has exposure stimulus 2-cis-abscisic acid relationship: RO:0002309 CHEBI:22152 ! has exposure stimulus 2-cis-abscisic acid [Term] id: ECTO:9000160 name: exposure to gibberellin def: "An exposure to gibberellin." [] synonym: "exposure to gibberellin" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24250 ! has exposure stimulus gibberellin relationship: RO:0002309 CHEBI:24250 ! has exposure stimulus gibberellin [Term] id: ECTO:9000161 name: exposure to brassinosteroid def: "An exposure to brassinosteroid." [] synonym: "exposure to brassinosteroid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22921 ! has exposure stimulus brassinosteroid relationship: RO:0002309 CHEBI:22921 ! has exposure stimulus brassinosteroid [Term] id: ECTO:9000162 name: exposure to carbohydrate def: "An exposure to carbohydrate." [] synonym: "exposure to carbohydrate" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16646 ! has exposure stimulus carbohydrate relationship: RO:0002309 CHEBI:16646 ! has exposure stimulus carbohydrate [Term] id: ECTO:9000163 name: exposure to sucrose def: "An exposure to sucrose." [] synonym: "exposure to sucrose" EXACT [] is_a: ECTO:9000240 ! exposure to disaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17992 ! has exposure stimulus sucrose relationship: RO:0002309 CHEBI:17992 ! has exposure stimulus sucrose [Term] id: ECTO:9000164 name: exposure to hexose def: "An exposure to hexose." [] synonym: "exposure to hexose" EXACT [] is_a: ECTO:9000239 ! exposure to monosaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18133 ! has exposure stimulus hexose relationship: RO:0002309 CHEBI:18133 ! has exposure stimulus hexose [Term] id: ECTO:9000165 name: exposure to glucose def: "An exposure to glucose." [] synonym: "exposure to glucose" EXACT [] is_a: ECTO:9000164 ! exposure to hexose intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17234 ! has exposure stimulus glucose relationship: RO:0002309 CHEBI:17234 ! has exposure stimulus glucose [Term] id: ECTO:9000166 name: exposure to fructose def: "An exposure to fructose." [] synonym: "exposure to fructose" EXACT [] is_a: ECTO:9000164 ! exposure to hexose intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28757 ! has exposure stimulus fructose relationship: RO:0002309 CHEBI:28757 ! has exposure stimulus fructose [Term] id: ECTO:9000167 name: exposure to salicylic acid def: "An exposure to salicylic acid." [] synonym: "exposure to salicylic acid" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16914 ! has exposure stimulus salicylic acid relationship: RO:0002309 CHEBI:16914 ! has exposure stimulus salicylic acid [Term] id: ECTO:9000168 name: exposure to jasmonic acid def: "An exposure to jasmonic acid." [] synonym: "exposure to jasmonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18292 ! has exposure stimulus jasmonic acid relationship: RO:0002309 CHEBI:18292 ! has exposure stimulus jasmonic acid [Term] id: ECTO:9000169 name: exposure to 1-aminocyclopropanecarboxylic acid def: "An exposure to 1-aminocyclopropanecarboxylic acid." [] synonym: "exposure to 1-aminocyclopropanecarboxylic acid" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18053 ! has exposure stimulus 1-aminocyclopropanecarboxylic acid relationship: RO:0002309 CHEBI:18053 ! has exposure stimulus 1-aminocyclopropanecarboxylic acid [Term] id: ECTO:9000171 name: exposure to acetate def: "An exposure to acetate." [] synonym: "exposure to acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30089 ! has exposure stimulus acetate relationship: RO:0002309 CHEBI:30089 ! has exposure stimulus acetate [Term] id: ECTO:9000172 name: exposure to inorganic compound def: "An exposure to inorganic molecular entity." [] synonym: "exposure to inorganic molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24835 ! has exposure stimulus inorganic molecular entity relationship: RO:0002309 CHEBI:24835 ! has exposure stimulus inorganic molecular entity [Term] id: ECTO:9000173 name: exposure to boron def: "An exposure to boron molecular entity." [] synonym: "exposure to boron molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22916 ! has exposure stimulus boron molecular entity relationship: RO:0002309 CHEBI:22916 ! has exposure stimulus boron molecular entity [Term] id: ECTO:9000175 name: exposure to metal cation def: "An exposure to metal cation." [] synonym: "exposure to metal cation" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25213 ! has exposure stimulus metal cation relationship: RO:0002309 CHEBI:25213 ! has exposure stimulus metal cation [Term] id: ECTO:9000176 name: exposure to iron cation def: "An exposure to iron cation." [] synonym: "exposure to iron cation" EXACT [] is_a: ECTO:9000087 ! exposure to iron is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24875 ! has exposure stimulus iron cation relationship: RO:0002309 CHEBI:24875 ! has exposure stimulus iron cation [Term] id: ECTO:9000177 name: exposure to iron(2+) def: "An exposure to iron(2+)." [] synonym: "exposure to iron(2+)" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29033 ! has exposure stimulus iron(2+) relationship: RO:0002309 CHEBI:29033 ! has exposure stimulus iron(2+) [Term] id: ECTO:9000178 name: exposure to iron(3+) def: "An exposure to iron(3+)." [] synonym: "exposure to iron(3+)" EXACT [] is_a: ECTO:9000176 ! exposure to iron cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29034 ! has exposure stimulus iron(3+) relationship: RO:0002309 CHEBI:29034 ! has exposure stimulus iron(3+) [Term] id: ECTO:9000179 name: exposure to manganese cation def: "An exposure to manganese cation." [] synonym: "exposure to manganese cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9001154 ! exposure to elemental manganese intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25155 ! has exposure stimulus manganese cation relationship: RO:0002309 CHEBI:25155 ! has exposure stimulus manganese cation [Term] id: ECTO:9000180 name: exposure to zinc cation def: "An exposure to zinc cation." [] synonym: "exposure to zinc cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9001306 ! exposure to elemental zinc intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63056 ! has exposure stimulus zinc cation relationship: RO:0002309 CHEBI:63056 ! has exposure stimulus zinc cation [Term] id: ECTO:9000181 name: exposure to aluminium cation def: "An exposure to aluminium cation." [] synonym: "exposure to aluminium cation" EXACT [] is_a: ECTO:9000029 ! exposure to aluminum is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63062 ! has exposure stimulus aluminium cation relationship: RO:0002309 CHEBI:63062 ! has exposure stimulus aluminium cation [Term] id: ECTO:9000182 name: exposure to nickel cation def: "An exposure to nickel cation." [] synonym: "exposure to nickel cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25516 ! has exposure stimulus nickel cation relationship: RO:0002309 CHEBI:25516 ! has exposure stimulus nickel cation [Term] id: ECTO:9000183 name: exposure to chlorate def: "An exposure to chlorate." [] synonym: "exposure to chlorate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49709 ! has exposure stimulus chlorate relationship: RO:0002309 CHEBI:49709 ! has exposure stimulus chlorate [Term] id: ECTO:9000184 name: exposure to caesium def: "An exposure to caesium molecular entity." [] synonym: "exposure to caesium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37128 ! has exposure stimulus caesium molecular entity relationship: RO:0002309 CHEBI:37128 ! has exposure stimulus caesium molecular entity [Term] id: ECTO:9000185 name: exposure to nitrate def: "An exposure to nitrate." [] synonym: "exposure to nitrate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17632 ! has exposure stimulus nitrate relationship: RO:0002309 CHEBI:17632 ! has exposure stimulus nitrate [Term] id: ECTO:9000187 name: exposure to chitin def: "An exposure to chitin." [] synonym: "exposure to chitin" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17029 ! has exposure stimulus chitin relationship: RO:0002309 CHEBI:17029 ! has exposure stimulus chitin [Term] id: ECTO:9000188 name: exposure to lithium(1+) def: "An exposure to lithium(1+)." [] synonym: "exposure to lithium(1+)" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49713 ! has exposure stimulus lithium(1+) relationship: RO:0002309 CHEBI:49713 ! has exposure stimulus lithium(1+) [Term] id: ECTO:9000189 name: exposure to proline def: "An exposure to proline." [] synonym: "exposure to proline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26271 ! has exposure stimulus proline relationship: RO:0002309 CHEBI:26271 ! has exposure stimulus proline [Term] id: ECTO:9000190 name: exposure to organonitrogen compound def: "An exposure to organonitrogen compound." [] synonym: "exposure to organonitrogen compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35352 ! has exposure stimulus organonitrogen compound relationship: RO:0002309 CHEBI:35352 ! has exposure stimulus organonitrogen compound [Term] id: ECTO:9000191 name: exposure to thiamine(1+) def: "An exposure to thiamine(1+)." [] synonym: "exposure to thiamine(1+)" EXACT [] is_a: ECTO:9000147 ! exposure to thiamine is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18385 ! has exposure stimulus thiamine(1+) relationship: RO:0002309 CHEBI:18385 ! has exposure stimulus thiamine(1+) [Term] id: ECTO:9000192 name: exposure to selenium ion def: "An exposure to selenium ion." [] synonym: "exposure to selenium ion" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000950 ! exposure to selenium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60250 ! has exposure stimulus selenium ion relationship: RO:0002309 CHEBI:60250 ! has exposure stimulus selenium ion [Term] id: ECTO:9000193 name: exposure to silver cation def: "An exposure to silver cation." [] synonym: "exposure to silver cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9001252 ! exposure to elemental silver intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60253 ! has exposure stimulus silver cation relationship: RO:0002309 CHEBI:60253 ! has exposure stimulus silver cation [Term] id: ECTO:9000194 name: exposure to lead cation def: "An exposure to lead cation." [] synonym: "exposure to lead cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9000945 ! exposure to lead intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60252 ! has exposure stimulus lead cation relationship: RO:0002309 CHEBI:60252 ! has exposure stimulus lead cation [Term] id: ECTO:9000195 name: exposure to trehalose def: "An exposure to trehalose." [] synonym: "exposure to trehalose" EXACT [] is_a: ECTO:9000240 ! exposure to disaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27082 ! has exposure stimulus trehalose relationship: RO:0002309 CHEBI:27082 ! has exposure stimulus trehalose [Term] id: ECTO:9000196 name: exposure to sulfur dioxide def: "An exposure to sulfur dioxide." [] synonym: "exposure to sulfur dioxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18422 ! has exposure stimulus sulfur dioxide relationship: RO:0002309 CHEBI:18422 ! has exposure stimulus sulfur dioxide [Term] id: ECTO:9000197 name: exposure to mannitol def: "An exposure to mannitol." [] synonym: "exposure to mannitol" EXACT [] is_a: ECTO:9001449 ! exposure to alditol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29864 ! has exposure stimulus mannitol relationship: RO:0002309 CHEBI:29864 ! has exposure stimulus mannitol [Term] id: ECTO:9000199 name: exposure to cycloalkane def: "An exposure to cycloalkane." [] synonym: "exposure to cycloalkane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23453 ! has exposure stimulus cycloalkane relationship: RO:0002309 CHEBI:23453 ! has exposure stimulus cycloalkane [Term] id: ECTO:9000200 name: exposure to isoquinoline alkaloid def: "An exposure to isoquinoline alkaloid." [] synonym: "exposure to isoquinoline alkaloid" EXACT [] is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24921 ! has exposure stimulus isoquinoline alkaloid relationship: RO:0002309 CHEBI:24921 ! has exposure stimulus isoquinoline alkaloid [Term] id: ECTO:9000201 name: exposure to tropane def: "An exposure to tropane." [] synonym: "exposure to tropane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35615 ! has exposure stimulus tropane relationship: RO:0002309 CHEBI:35615 ! has exposure stimulus tropane [Term] id: ECTO:9000202 name: exposure to purines def: "An exposure to purines." [] synonym: "exposure to purines" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26401 ! has exposure stimulus purines relationship: RO:0002309 CHEBI:26401 ! has exposure stimulus purines [Term] id: ECTO:9000203 name: exposure to amine def: "An exposure to amine." [] synonym: "exposure to amine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32952 ! has exposure stimulus amine relationship: RO:0002309 CHEBI:32952 ! has exposure stimulus amine [Term] id: ECTO:9000204 name: exposure to fluoxetine def: "An exposure to fluoxetine." [] synonym: "exposure to fluoxetine" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5118 ! has exposure stimulus fluoxetine relationship: RO:0002309 CHEBI:5118 ! has exposure stimulus fluoxetine [Term] id: ECTO:9000205 name: exposure to caffeine def: "An exposure to caffeine." [] synonym: "exposure to caffeine" EXACT [] is_a: ECTO:9000202 ! exposure to purines is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27732 ! has exposure stimulus caffeine relationship: RO:0002309 CHEBI:27732 ! has exposure stimulus caffeine [Term] id: ECTO:9000206 name: exposure to brefeldin A def: "An exposure to brefeldin A." [] synonym: "exposure to brefeldin A" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48080 ! has exposure stimulus brefeldin A relationship: RO:0002309 CHEBI:48080 ! has exposure stimulus brefeldin A [Term] id: ECTO:9000209 name: exposure to cobalt cation def: "An exposure to cobalt cation." [] synonym: "exposure to cobalt cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23336 ! has exposure stimulus cobalt cation relationship: RO:0002309 CHEBI:23336 ! has exposure stimulus cobalt cation [Term] id: ECTO:9000210 name: exposure to magnesium cation def: "An exposure to magnesium cation." [] synonym: "exposure to magnesium cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39127 ! has exposure stimulus magnesium cation relationship: RO:0002309 CHEBI:39127 ! has exposure stimulus magnesium cation [Term] id: ECTO:9000211 name: exposure to rhamnose def: "An exposure to rhamnose." [] synonym: "exposure to rhamnose" EXACT [] is_a: ECTO:9000239 ! exposure to monosaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26546 ! has exposure stimulus rhamnose relationship: RO:0002309 CHEBI:26546 ! has exposure stimulus rhamnose [Term] id: ECTO:9000212 name: exposure to estradiol def: "An exposure to estradiol." [] synonym: "exposure to estradiol" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23965 ! has exposure stimulus estradiol relationship: RO:0002309 CHEBI:23965 ! has exposure stimulus estradiol [Term] id: ECTO:9000213 name: exposure to peptidoglycan def: "An exposure to peptidoglycan." [] synonym: "exposure to peptidoglycan" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8005 ! has exposure stimulus peptidoglycan relationship: RO:0002309 CHEBI:8005 ! has exposure stimulus peptidoglycan [Term] id: ECTO:9000214 name: exposure to muramyl dipeptide def: "An exposure to muramyl dipeptide." [] synonym: "exposure to muramyl dipeptide" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59414 ! has exposure stimulus muramyl dipeptide relationship: RO:0002309 CHEBI:59414 ! has exposure stimulus muramyl dipeptide [Term] id: ECTO:9000215 name: exposure to lipopolysaccharide def: "An exposure to lipopolysaccharide." [] synonym: "exposure to lipopolysaccharide" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16412 ! has exposure stimulus lipopolysaccharide relationship: RO:0002309 CHEBI:16412 ! has exposure stimulus lipopolysaccharide [Term] id: ECTO:9000216 name: exposure to retinoic acid def: "An exposure to retinoic acid." [] synonym: "exposure to retinoic acid" EXACT [] is_a: ECTO:9001346 ! exposure to retinoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26536 ! has exposure stimulus retinoic acid relationship: RO:0002309 CHEBI:26536 ! has exposure stimulus retinoic acid [Term] id: ECTO:9000217 name: exposure to progesterone def: "An exposure to progesterone." [] synonym: "exposure to progesterone" EXACT [] is_a: ECTO:0000258 ! exposure to steroid hormone is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17026 ! has exposure stimulus progesterone relationship: RO:0002309 CHEBI:17026 ! has exposure stimulus progesterone [Term] id: ECTO:9000218 name: obsolete vitamin K exposure is_obsolete: true replaced_by: ECTO:9000139 [Term] id: ECTO:9000219 name: obsolete menaquinone exposure is_obsolete: true replaced_by: ECTO:9000141 [Term] id: ECTO:9000220 name: obsolete phylloquinone exposure is_obsolete: true replaced_by: ECTO:9000140 [Term] id: ECTO:9000222 name: exposure to hydroperoxide def: "An exposure to hydroperoxide." [] synonym: "exposure to hydroperoxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35923 ! has exposure stimulus hydroperoxide relationship: RO:0002309 CHEBI:35923 ! has exposure stimulus hydroperoxide [Term] id: ECTO:9000223 name: exposure to alkyl hydroperoxide def: "An exposure to alkyl hydroperoxide." [] synonym: "exposure to alkyl hydroperoxide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000222 ! exposure to hydroperoxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61050 ! has exposure stimulus alkyl hydroperoxide relationship: RO:0002309 CHEBI:61050 ! has exposure stimulus alkyl hydroperoxide [Term] id: ECTO:9000224 name: exposure to vitamin E def: "An exposure to vitamin E." [] synonym: "exposure to vitamin E" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33234 ! has exposure stimulus vitamin E relationship: RO:0002309 CHEBI:33234 ! has exposure stimulus vitamin E [Term] id: ECTO:9000225 name: exposure to ATP def: "An exposure to ATP." [] synonym: "exposure to ATP" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000202 ! exposure to purines is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15422 ! has exposure stimulus ATP relationship: RO:0002309 CHEBI:15422 ! has exposure stimulus ATP [Term] id: ECTO:9000226 name: obsolete riboflavin exposure is_obsolete: true replaced_by: ECTO:9000149 [Term] id: ECTO:9000228 name: exposure to testosterone def: "An exposure to testosterone." [] synonym: "exposure to testosterone" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17347 ! has exposure stimulus testosterone relationship: RO:0002309 CHEBI:17347 ! has exposure stimulus testosterone [Term] id: ECTO:9000229 name: exposure to cobalamin def: "An exposure to cobalamin." [] synonym: "exposure to cobalamin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000943 ! exposure to cobalt is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30411 ! has exposure stimulus cobalamin relationship: RO:0002309 CHEBI:30411 ! has exposure stimulus cobalamin [Term] id: ECTO:9000231 name: exposure to hydroxyisoflavone def: "An exposure to hydroxyisoflavone." [] synonym: "exposure to hydroxyisoflavone" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38755 ! has exposure stimulus hydroxyisoflavone relationship: RO:0002309 CHEBI:38755 ! has exposure stimulus hydroxyisoflavone [Term] id: ECTO:9000232 name: exposure to genistein def: "An exposure to genistein." [] synonym: "exposure to genistein" EXACT [] is_a: ECTO:9000231 ! exposure to hydroxyisoflavone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28088 ! has exposure stimulus genistein relationship: RO:0002309 CHEBI:28088 ! has exposure stimulus genistein [Term] id: ECTO:9000233 name: exposure to glucagon def: "An exposure to glucagon." [] synonym: "exposure to glucagon" EXACT [] is_a: ECTO:9000273 ! exposure to peptide hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5391 ! has exposure stimulus glucagon relationship: RO:0002309 CHEBI:5391 ! has exposure stimulus glucagon [Term] id: ECTO:9000236 name: exposure to triglyceride def: "An exposure to triglyceride." [] synonym: "exposure to triglyceride" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17855 ! has exposure stimulus triglyceride relationship: RO:0002309 CHEBI:17855 ! has exposure stimulus triglyceride [Term] id: ECTO:9000237 name: obsolete silicon dioxide exposure is_obsolete: true replaced_by: ECTO:9000073 [Term] id: ECTO:9000238 name: exposure to oleate def: "An exposure to oleate." [] synonym: "exposure to oleate" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30823 ! has exposure stimulus oleate relationship: RO:0002309 CHEBI:30823 ! has exposure stimulus oleate [Term] id: ECTO:9000239 name: exposure to monosaccharide def: "An exposure to monosaccharide." [] synonym: "exposure to monosaccharide" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35381 ! has exposure stimulus monosaccharide relationship: RO:0002309 CHEBI:35381 ! has exposure stimulus monosaccharide [Term] id: ECTO:9000240 name: exposure to disaccharide def: "An exposure to disaccharide." [] synonym: "exposure to disaccharide" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36233 ! has exposure stimulus disaccharide relationship: RO:0002309 CHEBI:36233 ! has exposure stimulus disaccharide [Term] id: ECTO:9000241 name: exposure to maltose def: "An exposure to maltose." [] synonym: "exposure to maltose" EXACT [] is_a: ECTO:9000240 ! exposure to disaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17306 ! has exposure stimulus maltose relationship: RO:0002309 CHEBI:17306 ! has exposure stimulus maltose [Term] id: ECTO:9000243 name: exposure to vitamin B6 def: "An exposure to vitamin B6." [] synonym: "exposure to vitamin B6" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27306 ! has exposure stimulus vitamin B6 relationship: RO:0002309 CHEBI:27306 ! has exposure stimulus vitamin B6 [Term] id: ECTO:9000244 name: exposure to prostaglandin def: "An exposure to prostaglandin." [] synonym: "exposure to prostaglandin" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26333 ! has exposure stimulus prostaglandin relationship: RO:0002309 CHEBI:26333 ! has exposure stimulus prostaglandin [Term] id: ECTO:9000245 name: exposure to prostaglandins E def: "An exposure to prostaglandins E." [] synonym: "exposure to prostaglandins E" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000244 ! exposure to prostaglandin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26338 ! has exposure stimulus prostaglandins E relationship: RO:0002309 CHEBI:26338 ! has exposure stimulus prostaglandins E [Term] id: ECTO:9000246 name: exposure to prostaglandins F def: "An exposure to prostaglandins F." [] synonym: "exposure to prostaglandins F" EXACT [] is_a: ECTO:9000244 ! exposure to prostaglandin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26340 ! has exposure stimulus prostaglandins F relationship: RO:0002309 CHEBI:26340 ! has exposure stimulus prostaglandins F [Term] id: ECTO:9000247 name: exposure to prostaglandins I def: "An exposure to prostaglandins I." [] synonym: "exposure to prostaglandins I" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000244 ! exposure to prostaglandin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26345 ! has exposure stimulus prostaglandins I relationship: RO:0002309 CHEBI:26345 ! has exposure stimulus prostaglandins I [Term] id: ECTO:9000248 name: exposure to histamine def: "An exposure to histamine." [] synonym: "exposure to histamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18295 ! has exposure stimulus histamine relationship: RO:0002309 CHEBI:18295 ! has exposure stimulus histamine [Term] id: ECTO:9000249 name: exposure to ecdysone def: "An exposure to ecdysone." [] synonym: "exposure to ecdysone" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000264 ! exposure to sterol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16688 ! has exposure stimulus ecdysone relationship: RO:0002309 CHEBI:16688 ! has exposure stimulus ecdysone [Term] id: ECTO:9000250 name: exposure to nicotine def: "An exposure to nicotine." [] synonym: "exposure to nicotine" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18723 ! has exposure stimulus nicotine relationship: RO:0002309 CHEBI:18723 ! has exposure stimulus nicotine [Term] id: ECTO:9000251 name: exposure to stilbenoid def: "An exposure to stilbenoid." [] synonym: "exposure to stilbenoid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26776 ! has exposure stimulus stilbenoid relationship: RO:0002309 CHEBI:26776 ! has exposure stimulus stilbenoid [Term] id: ECTO:9000252 name: exposure to nitrogen dioxide def: "An exposure to nitrogen dioxide." [] synonym: "exposure to nitrogen dioxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33101 ! has exposure stimulus nitrogen dioxide relationship: RO:0002309 CHEBI:33101 ! has exposure stimulus nitrogen dioxide [Term] id: ECTO:9000253 name: exposure to potassium(1+) def: "An exposure to potassium(1+)." [] synonym: "exposure to potassium(1+)" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29103 ! has exposure stimulus potassium(1+) relationship: RO:0002309 CHEBI:29103 ! has exposure stimulus potassium(1+) [Term] id: ECTO:9000254 name: exposure to trichostatin A def: "An exposure to trichostatin A." [] synonym: "exposure to trichostatin A" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46024 ! has exposure stimulus trichostatin A relationship: RO:0002309 CHEBI:46024 ! has exposure stimulus trichostatin A [Term] id: ECTO:9000255 name: exposure to amiloride def: "An exposure to amiloride." [] synonym: "exposure to amiloride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2639 ! has exposure stimulus amiloride relationship: RO:0002309 CHEBI:2639 ! has exposure stimulus amiloride [Term] id: ECTO:9000256 name: exposure to methylamine def: "An exposure to methylamine." [] synonym: "exposure to methylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16830 ! has exposure stimulus methylamine relationship: RO:0002309 CHEBI:16830 ! has exposure stimulus methylamine [Term] id: ECTO:9000257 name: exposure to methylphenidate def: "An exposure to methylphenidate." [] synonym: "exposure to methylphenidate" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6887 ! has exposure stimulus methylphenidate relationship: RO:0002309 CHEBI:6887 ! has exposure stimulus methylphenidate [Term] id: ECTO:9000258 name: exposure to gemcitabine def: "An exposure to gemcitabine." [] synonym: "exposure to gemcitabine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:175901 ! has exposure stimulus gemcitabine relationship: RO:0002309 CHEBI:175901 ! has exposure stimulus gemcitabine [Term] id: ECTO:9000259 name: exposure to statin def: "An exposure to statin." [] synonym: "exposure to statin" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:87631 ! has exposure stimulus statin relationship: RO:0002309 CHEBI:87631 ! has exposure stimulus statin [Term] id: ECTO:9000260 name: exposure to lapatinib def: "An exposure to lapatinib." [] synonym: "exposure to lapatinib" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49603 ! has exposure stimulus lapatinib relationship: RO:0002309 CHEBI:49603 ! has exposure stimulus lapatinib [Term] id: ECTO:9000261 name: exposure to 5-fluorouracil def: "An exposure to 5-fluorouracil." [] synonym: "exposure to 5-fluorouracil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46345 ! has exposure stimulus 5-fluorouracil relationship: RO:0002309 CHEBI:46345 ! has exposure stimulus 5-fluorouracil [Term] id: ECTO:9000262 name: exposure to iloperidone def: "An exposure to iloperidone." [] synonym: "exposure to iloperidone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000318 ! exposure to monoamine is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65173 ! has exposure stimulus iloperidone relationship: RO:0002309 CHEBI:65173 ! has exposure stimulus iloperidone [Term] id: ECTO:9000263 name: exposure to ximelagatran def: "An exposure to ximelagatran." [] synonym: "exposure to ximelagatran" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65172 ! has exposure stimulus ximelagatran relationship: RO:0002309 CHEBI:65172 ! has exposure stimulus ximelagatran [Term] id: ECTO:9000264 name: exposure to sterol def: "An exposure to sterol." [] synonym: "exposure to sterol" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15889 ! has exposure stimulus sterol relationship: RO:0002309 CHEBI:15889 ! has exposure stimulus sterol [Term] id: ECTO:9000265 name: exposure to cocaine def: "An exposure to cocaine." [] synonym: "exposure to cocaine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27958 ! has exposure stimulus cocaine relationship: RO:0002309 CHEBI:27958 ! has exposure stimulus cocaine [Term] id: ECTO:9000266 name: obsolete chemical entity exposure is_obsolete: true replaced_by: ECTO:0000231 [Term] id: ECTO:9000267 name: exposure to hydrogen peroxide def: "An exposure to hydrogen peroxide." [] synonym: "exposure to hydrogen peroxide" EXACT [] is_a: ECTO:9000150 ! exposure to reactive oxygen species is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16240 ! has exposure stimulus hydrogen peroxide relationship: RO:0002309 CHEBI:16240 ! has exposure stimulus hydrogen peroxide [Term] id: ECTO:9000268 name: exposure to amino acid def: "An exposure to amino acid." [] synonym: "exposure to amino acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33709 ! has exposure stimulus amino acid relationship: RO:0002309 CHEBI:33709 ! has exposure stimulus amino acid [Term] id: ECTO:9000269 name: exposure to leucine def: "An exposure to leucine." [] synonym: "exposure to leucine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25017 ! has exposure stimulus leucine relationship: RO:0002309 CHEBI:25017 ! has exposure stimulus leucine [Term] id: ECTO:9000270 name: exposure to morphine def: "An exposure to morphine." [] synonym: "exposure to morphine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000200 ! exposure to isoquinoline alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17303 ! has exposure stimulus morphine relationship: RO:0002309 CHEBI:17303 ! has exposure stimulus morphine [Term] id: ECTO:9000271 name: exposure to alkaloid def: "An exposure to alkaloid." [] synonym: "exposure to alkaloid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22315 ! has exposure stimulus alkaloid relationship: RO:0002309 CHEBI:22315 ! has exposure stimulus alkaloid [Term] id: ECTO:9000272 name: exposure to double-stranded RNA def: "An exposure to double-stranded RNA." [] synonym: "exposure to double-stranded RNA" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67208 ! has exposure stimulus double-stranded RNA relationship: RO:0002309 CHEBI:67208 ! has exposure stimulus double-stranded RNA [Term] id: ECTO:9000273 name: exposure to peptide hormone def: "An exposure to peptide hormone." [] synonym: "exposure to peptide hormone" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25905 ! has exposure stimulus peptide hormone relationship: RO:0002309 CHEBI:25905 ! has exposure stimulus peptide hormone [Term] id: ECTO:9000274 name: exposure to corticotropin-releasing hormone def: "An exposure to corticotropin-releasing hormone." [] synonym: "exposure to corticotropin-releasing hormone" EXACT [] is_a: ECTO:9000273 ! exposure to peptide hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65311 ! has exposure stimulus corticotropin-releasing hormone relationship: RO:0002309 CHEBI:65311 ! has exposure stimulus corticotropin-releasing hormone [Term] id: ECTO:9000275 name: exposure to amylopectin def: "An exposure to amylopectin." [] synonym: "exposure to amylopectin" EXACT [] is_a: ECTO:9001339 ! exposure to polysaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28057 ! has exposure stimulus amylopectin relationship: RO:0002309 CHEBI:28057 ! has exposure stimulus amylopectin [Term] id: ECTO:9000276 name: exposure to pullulan def: "An exposure to pullulan." [] synonym: "exposure to pullulan" EXACT [] is_a: ECTO:9001339 ! exposure to polysaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27941 ! has exposure stimulus pullulan relationship: RO:0002309 CHEBI:27941 ! has exposure stimulus pullulan [Term] id: ECTO:9000278 name: exposure to ether def: "An exposure to ether." [] synonym: "exposure to ether" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25698 ! has exposure stimulus ether relationship: RO:0002309 CHEBI:25698 ! has exposure stimulus ether [Term] id: ECTO:9000279 name: exposure to bacteriocin def: "An exposure to bacteriocin." [] synonym: "exposure to bacteriocin" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48081 ! has exposure stimulus bacteriocin relationship: RO:0002309 CHEBI:48081 ! has exposure stimulus bacteriocin [Term] id: ECTO:9000280 name: exposure to streptomycin def: "An exposure to streptomycin." [] synonym: "exposure to streptomycin" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000436 ! exposure to glycoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17076 ! has exposure stimulus streptomycin relationship: RO:0002309 CHEBI:17076 ! has exposure stimulus streptomycin [Term] id: ECTO:9000281 name: exposure to DDT def: "An exposure to DDT." [] synonym: "exposure to DDT" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16130 ! has exposure stimulus DDT relationship: RO:0002309 CHEBI:16130 ! has exposure stimulus DDT [Term] id: ECTO:9000282 name: exposure to carbamate def: "An exposure to carbamate." [] synonym: "exposure to carbamate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:13941 ! has exposure stimulus carbamate relationship: RO:0002309 CHEBI:13941 ! has exposure stimulus carbamate [Term] id: ECTO:9000283 name: exposure to cyclodiene organochlorine insecticide def: "An exposure to cyclodiene organochlorine insecticide." [] synonym: "exposure to cyclodiene organochlorine insecticide" EXACT [] is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23457 ! has exposure stimulus cyclodiene organochlorine insecticide relationship: RO:0002309 CHEBI:23457 ! has exposure stimulus cyclodiene organochlorine insecticide [Term] id: ECTO:9000284 name: exposure to organophosphorus compound def: "An exposure to organophosphorus compound." [] synonym: "exposure to organophosphorus compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25710 ! has exposure stimulus organophosphorus compound relationship: RO:0002309 CHEBI:25710 ! has exposure stimulus organophosphorus compound [Term] id: ECTO:9000285 name: obsolete arsenic molecular entity exposure is_obsolete: true replaced_by: ECTO:9000032 [Term] id: ECTO:9000286 name: exposure to cadmium cation def: "An exposure to cadmium cation." [] synonym: "exposure to cadmium cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63063 ! has exposure stimulus cadmium cation relationship: RO:0002309 CHEBI:63063 ! has exposure stimulus cadmium cation [Term] id: ECTO:9000288 name: exposure to copper cation def: "An exposure to copper cation." [] synonym: "exposure to copper cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9000944 ! exposure to copper intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23378 ! has exposure stimulus copper cation relationship: RO:0002309 CHEBI:23378 ! has exposure stimulus copper cation [Term] id: ECTO:9000289 name: exposure to mercury cation def: "An exposure to mercury cation." [] synonym: "exposure to mercury cation" EXACT [] is_a: ECTO:0001571 ! exposure to mercury is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25197 ! has exposure stimulus mercury cation relationship: RO:0002309 CHEBI:25197 ! has exposure stimulus mercury cation [Term] id: ECTO:9000290 name: exposure to tellurium ion def: "An exposure to tellurium ion." [] synonym: "exposure to tellurium ion" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60271 ! has exposure stimulus tellurium ion relationship: RO:0002309 CHEBI:60271 ! has exposure stimulus tellurium ion [Term] id: ECTO:9000291 name: exposure to cycloheximide def: "An exposure to cycloheximide." [] synonym: "exposure to cycloheximide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27641 ! has exposure stimulus cycloheximide relationship: RO:0002309 CHEBI:27641 ! has exposure stimulus cycloheximide [Term] id: ECTO:9000294 name: exposure to mineralocorticoid def: "An exposure to mineralocorticoid." [] synonym: "exposure to mineralocorticoid" EXACT [] is_a: ECTO:0000173 ! exposure to corticosteroid is_a: ECTO:0000258 ! exposure to steroid hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25354 ! has exposure stimulus mineralocorticoid relationship: RO:0002309 CHEBI:25354 ! has exposure stimulus mineralocorticoid [Term] id: ECTO:9000296 name: exposure to cortisone def: "An exposure to cortisone." [] synonym: "exposure to cortisone" EXACT [] is_a: ECTO:0000259 ! exposure to glucocorticoid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16962 ! has exposure stimulus cortisone relationship: RO:0002309 CHEBI:16962 ! has exposure stimulus cortisone [Term] id: ECTO:9000297 name: exposure to cortisol def: "An exposure to cortisol." [] synonym: "exposure to cortisol" EXACT [] is_a: ECTO:0000259 ! exposure to glucocorticoid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17650 ! has exposure stimulus cortisol relationship: RO:0002309 CHEBI:17650 ! has exposure stimulus cortisol [Term] id: ECTO:9000298 name: exposure to 3',5'-cyclic AMP def: "An exposure to 3',5'-cyclic AMP." [] synonym: "exposure to 3',5'-cyclic AMP" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000202 ! exposure to purines is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17489 ! has exposure stimulus 3',5'-cyclic AMP relationship: RO:0002309 CHEBI:17489 ! has exposure stimulus 3',5'-cyclic AMP [Term] id: ECTO:9000299 name: exposure to calcium cation def: "An exposure to calcium cation." [] synonym: "exposure to calcium cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39123 ! has exposure stimulus calcium cation relationship: RO:0002309 CHEBI:39123 ! has exposure stimulus calcium cation [Term] id: ECTO:9000301 name: exposure to methylglyoxal def: "An exposure to methylglyoxal." [] synonym: "exposure to methylglyoxal" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17158 ! has exposure stimulus methylglyoxal relationship: RO:0002309 CHEBI:17158 ! has exposure stimulus methylglyoxal [Term] id: ECTO:9000302 name: exposure to methylmercury(1+) def: "An exposure to methylmercury(1+)." [] synonym: "exposure to methylmercury(1+)" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0001571 ! exposure to mercury intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49747 ! has exposure stimulus methylmercury(1+) relationship: RO:0002309 CHEBI:49747 ! has exposure stimulus methylmercury(1+) [Term] id: ECTO:9000303 name: exposure to lipoprotein def: "An exposure to lipoprotein." [] synonym: "exposure to lipoprotein" EXACT [] is_a: ECTO:9002133 ! exposure to protein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6495 ! has exposure stimulus lipoprotein relationship: RO:0002309 CHEBI:6495 ! has exposure stimulus lipoprotein [Term] id: ECTO:9000304 name: exposure to ammonium ion def: "An exposure to ammonium ion derivative." [] synonym: "exposure to ammonium ion derivative" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35274 ! has exposure stimulus ammonium ion derivative relationship: RO:0002309 CHEBI:35274 ! has exposure stimulus ammonium ion derivative [Term] id: ECTO:9000305 name: exposure to 3',5'-cyclic GMP def: "An exposure to 3',5'-cyclic GMP." [] synonym: "exposure to 3',5'-cyclic GMP" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000202 ! exposure to purines is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16356 ! has exposure stimulus 3',5'-cyclic GMP relationship: RO:0002309 CHEBI:16356 ! has exposure stimulus 3',5'-cyclic GMP [Term] id: ECTO:9000306 name: exposure to lipoteichoic acid def: "An exposure to lipoteichoic acid." [] synonym: "exposure to lipoteichoic acid" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28640 ! has exposure stimulus lipoteichoic acid relationship: RO:0002309 CHEBI:28640 ! has exposure stimulus lipoteichoic acid [Term] id: ECTO:9000307 name: exposure to platinum cation def: "An exposure to platinum cation." [] synonym: "exposure to platinum cation" EXACT [] is_a: ECTO:9000175 ! exposure to metal cation is_a: ECTO:9000949 ! exposure to platinum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63526 ! has exposure stimulus platinum cation relationship: RO:0002309 CHEBI:63526 ! has exposure stimulus platinum cation [Term] id: ECTO:9000308 name: exposure to fatty acid def: "An exposure to fatty acid." [] synonym: "exposure to fatty acid" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35366 ! has exposure stimulus fatty acid relationship: RO:0002309 CHEBI:35366 ! has exposure stimulus fatty acid [Term] id: ECTO:9000309 name: exposure to linoleate def: "An exposure to linoleate." [] synonym: "exposure to linoleate" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30245 ! has exposure stimulus linoleate relationship: RO:0002309 CHEBI:30245 ! has exposure stimulus linoleate [Term] id: ECTO:9000310 name: exposure to cholesterol def: "An exposure to cholesterol." [] synonym: "exposure to cholesterol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000264 ! exposure to sterol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16113 ! has exposure stimulus cholesterol relationship: RO:0002309 CHEBI:16113 ! has exposure stimulus cholesterol [Term] id: ECTO:9000311 name: exposure to biotin def: "An exposure to biotin." [] synonym: "exposure to biotin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15956 ! has exposure stimulus biotin relationship: RO:0002309 CHEBI:15956 ! has exposure stimulus biotin [Term] id: ECTO:9000313 name: exposure to mycophenolate def: "An exposure to mycophenolate." [] synonym: "exposure to mycophenolate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62932 ! has exposure stimulus mycophenolate relationship: RO:0002309 CHEBI:62932 ! has exposure stimulus mycophenolate [Term] id: ECTO:9000314 name: exposure to dexamethasone def: "An exposure to dexamethasone." [] synonym: "exposure to dexamethasone" EXACT [] is_a: ECTO:0000259 ! exposure to glucocorticoid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41879 ! has exposure stimulus dexamethasone relationship: RO:0002309 CHEBI:41879 ! has exposure stimulus dexamethasone [Term] id: ECTO:9000315 name: exposure to indole-3-methanol def: "An exposure to indole-3-methanol." [] synonym: "exposure to indole-3-methanol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24814 ! has exposure stimulus indole-3-methanol relationship: RO:0002309 CHEBI:24814 ! has exposure stimulus indole-3-methanol [Term] id: ECTO:9000316 name: exposure to nitric oxide def: "An exposure to nitric oxide." [] synonym: "exposure to nitric oxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16480 ! has exposure stimulus nitric oxide relationship: RO:0002309 CHEBI:16480 ! has exposure stimulus nitric oxide [Term] id: ECTO:9000317 name: exposure to prostaglandins D def: "An exposure to prostaglandins D." [] synonym: "exposure to prostaglandins D" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000244 ! exposure to prostaglandin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26337 ! has exposure stimulus prostaglandins D relationship: RO:0002309 CHEBI:26337 ! has exposure stimulus prostaglandins D [Term] id: ECTO:9000318 name: exposure to monoamine def: "An exposure to monoamine." [] synonym: "exposure to monoamine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63534 ! has exposure stimulus monoamine relationship: RO:0002309 CHEBI:63534 ! has exposure stimulus monoamine [Term] id: ECTO:9000319 name: exposure to catecholamine def: "An exposure to catecholamine." [] synonym: "exposure to catecholamine" EXACT [] is_a: ECTO:9000318 ! exposure to monoamine is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33567 ! has exposure stimulus catecholamine relationship: RO:0002309 CHEBI:33567 ! has exposure stimulus catecholamine [Term] id: ECTO:9000320 name: exposure to adrenaline def: "An exposure to adrenaline." [] synonym: "exposure to adrenaline" EXACT [] is_a: ECTO:9000319 ! exposure to catecholamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33568 ! has exposure stimulus adrenaline relationship: RO:0002309 CHEBI:33568 ! has exposure stimulus adrenaline [Term] id: ECTO:9000321 name: exposure to noradrenaline def: "An exposure to noradrenaline." [] synonym: "exposure to noradrenaline" EXACT [] is_a: ECTO:9000319 ! exposure to catecholamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33569 ! has exposure stimulus noradrenaline relationship: RO:0002309 CHEBI:33569 ! has exposure stimulus noradrenaline [Term] id: ECTO:9000322 name: exposure to bismuth ion def: "An exposure to bismuth ion." [] synonym: "exposure to bismuth ion" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85543 ! has exposure stimulus bismuth ion relationship: RO:0002309 CHEBI:85543 ! has exposure stimulus bismuth ion [Term] id: ECTO:9000323 name: exposure to methyl methanesulfonate def: "An exposure to methyl methanesulfonate." [] synonym: "exposure to methyl methanesulfonate" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25255 ! has exposure stimulus methyl methanesulfonate relationship: RO:0002309 CHEBI:25255 ! has exposure stimulus methyl methanesulfonate [Term] id: ECTO:9000324 name: exposure to mercaptoethanol def: "An exposure to mercaptoethanol." [] synonym: "exposure to mercaptoethanol" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41218 ! has exposure stimulus mercaptoethanol relationship: RO:0002309 CHEBI:41218 ! has exposure stimulus mercaptoethanol [Term] id: ECTO:9000325 name: exposure to sodium dodecyl sulfate def: "An exposure to sodium dodecyl sulfate." [] synonym: "exposure to sodium dodecyl sulfate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8984 ! has exposure stimulus sodium dodecyl sulfate relationship: RO:0002309 CHEBI:8984 ! has exposure stimulus sodium dodecyl sulfate [Term] id: ECTO:9000326 name: exposure to glucitol def: "An exposure to glucitol." [] synonym: "exposure to glucitol" EXACT [] is_a: ECTO:9000165 ! exposure to glucose is_a: ECTO:9001449 ! exposure to alditol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30911 ! has exposure stimulus glucitol relationship: RO:0002309 CHEBI:30911 ! has exposure stimulus glucitol [Term] id: ECTO:9000327 name: exposure to hydroxyurea def: "An exposure to hydroxyurea." [] synonym: "exposure to hydroxyurea" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44423 ! has exposure stimulus hydroxyurea relationship: RO:0002309 CHEBI:44423 ! has exposure stimulus hydroxyurea [Term] id: ECTO:9000328 name: exposure to thiabendazole def: "An exposure to thiabendazole." [] synonym: "exposure to thiabendazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45979 ! has exposure stimulus thiabendazole relationship: RO:0002309 CHEBI:45979 ! has exposure stimulus thiabendazole [Term] id: ECTO:9000329 name: exposure to actinomycin D def: "An exposure to actinomycin D." [] synonym: "exposure to actinomycin D" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27666 ! has exposure stimulus actinomycin D relationship: RO:0002309 CHEBI:27666 ! has exposure stimulus actinomycin D [Term] id: ECTO:9000330 name: exposure to cisplatin def: "An exposure to cisplatin." [] synonym: "exposure to cisplatin" EXACT [] is_a: ECTO:9000949 ! exposure to platinum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27899 ! has exposure stimulus cisplatin relationship: RO:0002309 CHEBI:27899 ! has exposure stimulus cisplatin [Term] id: ECTO:9000331 name: exposure to 1,4-dithiothreitol def: "An exposure to 1,4-dithiothreitol." [] synonym: "exposure to 1,4-dithiothreitol" EXACT [] is_a: ECTO:9002156 ! exposure to glycol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18320 ! has exposure stimulus 1,4-dithiothreitol relationship: RO:0002309 CHEBI:18320 ! has exposure stimulus 1,4-dithiothreitol [Term] id: ECTO:9000332 name: exposure to amitrole def: "An exposure to amitrole." [] synonym: "exposure to amitrole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:40036 ! has exposure stimulus amitrole relationship: RO:0002309 CHEBI:40036 ! has exposure stimulus amitrole [Term] id: ECTO:9000333 name: exposure to 4-nitroquinoline N-oxide def: "An exposure to 4-nitroquinoline N-oxide." [] synonym: "exposure to 4-nitroquinoline N-oxide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16907 ! has exposure stimulus 4-nitroquinoline N-oxide relationship: RO:0002309 CHEBI:16907 ! has exposure stimulus 4-nitroquinoline N-oxide [Term] id: ECTO:9000334 name: exposure to CCCP def: "An exposure to CCCP." [] synonym: "exposure to CCCP" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3259 ! has exposure stimulus CCCP relationship: RO:0002309 CHEBI:3259 ! has exposure stimulus CCCP [Term] id: ECTO:9000335 name: exposure to papulacandin B def: "An exposure to papulacandin B." [] synonym: "exposure to papulacandin B" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:569624 ! has exposure stimulus papulacandin B relationship: RO:0002309 CHEBI:569624 ! has exposure stimulus papulacandin B [Term] id: ECTO:9000336 name: exposure to staurosporine def: "An exposure to staurosporine." [] synonym: "exposure to staurosporine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15738 ! has exposure stimulus staurosporine relationship: RO:0002309 CHEBI:15738 ! has exposure stimulus staurosporine [Term] id: ECTO:9000337 name: exposure to tert-butyl hydroperoxide def: "An exposure to tert-butyl hydroperoxide." [] synonym: "exposure to tert-butyl hydroperoxide" EXACT [] is_a: ECTO:9000223 ! exposure to alkyl hydroperoxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64090 ! has exposure stimulus tert-butyl hydroperoxide relationship: RO:0002309 CHEBI:64090 ! has exposure stimulus tert-butyl hydroperoxide [Term] id: ECTO:9000338 name: exposure to 1,1'-azobis(N,N-dimethylformamide) def: "An exposure to 1,1'-azobis(N,N-dimethylformamide)." [] synonym: "exposure to 1,1'-azobis(N,N-dimethylformamide)" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48958 ! has exposure stimulus 1,1'-azobis(N,N-dimethylformamide) relationship: RO:0002309 CHEBI:48958 ! has exposure stimulus 1,1'-azobis(N,N-dimethylformamide) [Term] id: ECTO:9000339 name: exposure to benzoic acid def: "An exposure to benzoic acid." [] synonym: "exposure to benzoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30746 ! has exposure stimulus benzoic acid relationship: RO:0002309 CHEBI:30746 ! has exposure stimulus benzoic acid [Term] id: ECTO:9000340 name: exposure to indole-3-butyric acid def: "An exposure to indole-3-butyric acid." [] synonym: "exposure to indole-3-butyric acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33070 ! has exposure stimulus indole-3-butyric acid relationship: RO:0002309 CHEBI:33070 ! has exposure stimulus indole-3-butyric acid [Term] id: ECTO:9000341 name: exposure to nitrite def: "An exposure to nitrite." [] synonym: "exposure to nitrite" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16301 ! has exposure stimulus nitrite relationship: RO:0002309 CHEBI:16301 ! has exposure stimulus nitrite [Term] id: ECTO:9000342 name: exposure to histidine def: "An exposure to histidine." [] synonym: "exposure to histidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27570 ! has exposure stimulus histidine relationship: RO:0002309 CHEBI:27570 ! has exposure stimulus histidine [Term] id: ECTO:9000343 name: exposure to phenylalanine def: "An exposure to phenylalanine." [] synonym: "exposure to phenylalanine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28044 ! has exposure stimulus phenylalanine relationship: RO:0002309 CHEBI:28044 ! has exposure stimulus phenylalanine [Term] id: ECTO:9000344 name: exposure to alpha,alpha-trehalose 6-phosphate(2-) def: "An exposure to alpha,alpha-trehalose 6-phosphate(2-)." [] synonym: "exposure to alpha,alpha-trehalose 6-phosphate(2-)" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:58429 ! has exposure stimulus alpha,alpha-trehalose 6-phosphate(2-) relationship: RO:0002309 CHEBI:58429 ! has exposure stimulus alpha,alpha-trehalose 6-phosphate(2-) [Term] id: ECTO:9000345 name: exposure to phenylpropanoid def: "An exposure to phenylpropanoid." [] synonym: "exposure to phenylpropanoid" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26004 ! has exposure stimulus phenylpropanoid relationship: RO:0002309 CHEBI:26004 ! has exposure stimulus phenylpropanoid [Term] id: ECTO:9000346 name: exposure to L-thyroxine def: "An exposure to L-thyroxine." [] synonym: "exposure to L-thyroxine" EXACT [] is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000268 ! exposure to amino acid is_a: ECTO:9000470 ! exposure to L-phenylalanine derivative is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18332 ! has exposure stimulus L-thyroxine relationship: RO:0002309 CHEBI:18332 ! has exposure stimulus L-thyroxine [Term] id: ECTO:9000347 name: exposure to azide anion def: "An exposure to azide anion." [] synonym: "exposure to azide anion" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:40910 ! has exposure stimulus azide anion relationship: RO:0002309 CHEBI:40910 ! has exposure stimulus azide anion [Term] id: ECTO:9000349 name: exposure to farnesol def: "An exposure to farnesol." [] synonym: "exposure to farnesol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28600 ! has exposure stimulus farnesol relationship: RO:0002309 CHEBI:28600 ! has exposure stimulus farnesol [Term] id: ECTO:9000350 name: exposure to N-acetyl-D-glucosamine def: "An exposure to N-acetyl-D-glucosamine." [] synonym: "exposure to N-acetyl-D-glucosamine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:506227 ! has exposure stimulus N-acetyl-D-glucosamine relationship: RO:0002309 CHEBI:506227 ! has exposure stimulus N-acetyl-D-glucosamine [Term] id: ECTO:9000351 name: exposure to carboplatin def: "An exposure to carboplatin." [] synonym: "exposure to carboplatin" EXACT [] is_a: ECTO:9000949 ! exposure to platinum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31355 ! has exposure stimulus carboplatin relationship: RO:0002309 CHEBI:31355 ! has exposure stimulus carboplatin [Term] id: ECTO:9000352 name: exposure to 5-fluoro-2'-deoxyuridine def: "An exposure to floxuridine." [] synonym: "exposure to floxuridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60761 ! has exposure stimulus floxuridine relationship: RO:0002309 CHEBI:60761 ! has exposure stimulus floxuridine [Term] id: ECTO:9000353 name: exposure to cytarabine def: "An exposure to cytarabine." [] synonym: "exposure to cytarabine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000436 ! exposure to glycoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28680 ! has exposure stimulus cytarabine relationship: RO:0002309 CHEBI:28680 ! has exposure stimulus cytarabine [Term] id: ECTO:9000354 name: exposure to olanzapine def: "An exposure to olanzapine." [] synonym: "exposure to olanzapine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7735 ! has exposure stimulus olanzapine relationship: RO:0002309 CHEBI:7735 ! has exposure stimulus olanzapine [Term] id: ECTO:9000355 name: exposure to perphenazine def: "An exposure to perphenazine." [] synonym: "exposure to perphenazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8028 ! has exposure stimulus perphenazine relationship: RO:0002309 CHEBI:8028 ! has exposure stimulus perphenazine [Term] id: ECTO:9000356 name: exposure to quetiapine def: "An exposure to quetiapine." [] synonym: "exposure to quetiapine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8707 ! has exposure stimulus quetiapine relationship: RO:0002309 CHEBI:8707 ! has exposure stimulus quetiapine [Term] id: ECTO:9000357 name: exposure to risperidone def: "An exposure to risperidone." [] synonym: "exposure to risperidone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8871 ! has exposure stimulus risperidone relationship: RO:0002309 CHEBI:8871 ! has exposure stimulus risperidone [Term] id: ECTO:9000358 name: exposure to ziprasidone def: "An exposure to ziprasidone." [] synonym: "exposure to ziprasidone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:10119 ! has exposure stimulus ziprasidone relationship: RO:0002309 CHEBI:10119 ! has exposure stimulus ziprasidone [Term] id: ECTO:9000359 name: exposure to clozapine def: "An exposure to clozapine." [] synonym: "exposure to clozapine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3766 ! has exposure stimulus clozapine relationship: RO:0002309 CHEBI:3766 ! has exposure stimulus clozapine [Term] id: ECTO:9000360 name: exposure to chloramphenicol def: "An exposure to chloramphenicol." [] synonym: "exposure to chloramphenicol" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17698 ! has exposure stimulus chloramphenicol relationship: RO:0002309 CHEBI:17698 ! has exposure stimulus chloramphenicol [Term] id: ECTO:9000361 name: exposure to erythromycin def: "An exposure to erythromycin." [] synonym: "exposure to erythromycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48923 ! has exposure stimulus erythromycin relationship: RO:0002309 CHEBI:48923 ! has exposure stimulus erythromycin [Term] id: ECTO:9000362 name: exposure to trichodermin def: "An exposure to trichodermin." [] synonym: "exposure to trichodermin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9688 ! has exposure stimulus trichodermin relationship: RO:0002309 CHEBI:9688 ! has exposure stimulus trichodermin [Term] id: ECTO:9000363 name: exposure to antimycin A def: "An exposure to antimycin A." [] synonym: "exposure to antimycin A" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2762 ! has exposure stimulus antimycin A relationship: RO:0002309 CHEBI:2762 ! has exposure stimulus antimycin A [Term] id: ECTO:9000364 name: exposure to tetracycline def: "An exposure to tetracycline." [] synonym: "exposure to tetracycline" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27902 ! has exposure stimulus tetracycline relationship: RO:0002309 CHEBI:27902 ! has exposure stimulus tetracycline [Term] id: ECTO:9000365 name: exposure to tacrolimus hydrate def: "An exposure to tacrolimus hydrate." [] synonym: "exposure to tacrolimus hydrate" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61057 ! has exposure stimulus tacrolimus hydrate relationship: RO:0002309 CHEBI:61057 ! has exposure stimulus tacrolimus hydrate [Term] id: ECTO:9000366 name: exposure to cytochalasin B def: "An exposure to cytochalasin B." [] synonym: "exposure to cytochalasin B" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23527 ! has exposure stimulus cytochalasin B relationship: RO:0002309 CHEBI:23527 ! has exposure stimulus cytochalasin B [Term] id: ECTO:9000367 name: exposure to leptomycin B def: "An exposure to leptomycin B." [] synonym: "exposure to leptomycin B" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52646 ! has exposure stimulus leptomycin B relationship: RO:0002309 CHEBI:52646 ! has exposure stimulus leptomycin B [Term] id: ECTO:9000368 name: exposure to L-thialysine def: "An exposure to L-thialysine." [] synonym: "exposure to L-thialysine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:497734 ! has exposure stimulus L-thialysine relationship: RO:0002309 CHEBI:497734 ! has exposure stimulus L-thialysine [Term] id: ECTO:9000369 name: exposure to L-canavanine def: "An exposure to L-canavanine." [] synonym: "exposure to L-canavanine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:609827 ! has exposure stimulus L-canavanine relationship: RO:0002309 CHEBI:609827 ! has exposure stimulus L-canavanine [Term] id: ECTO:9000370 name: exposure to sirolimus def: "An exposure to sirolimus." [] synonym: "exposure to sirolimus" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9168 ! has exposure stimulus sirolimus relationship: RO:0002309 CHEBI:9168 ! has exposure stimulus sirolimus [Term] id: ECTO:9000371 name: exposure to L-cysteine def: "An exposure to L-cysteine." [] synonym: "exposure to L-cysteine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17561 ! has exposure stimulus L-cysteine relationship: RO:0002309 CHEBI:17561 ! has exposure stimulus L-cysteine [Term] id: ECTO:9000372 name: exposure to glutathione def: "An exposure to glutathione." [] synonym: "exposure to glutathione" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16856 ! has exposure stimulus glutathione relationship: RO:0002309 CHEBI:16856 ! has exposure stimulus glutathione [Term] id: ECTO:9000376 name: exposure to formic acid def: "An exposure to formic acid." [] synonym: "exposure to formic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30751 ! has exposure stimulus formic acid relationship: RO:0002309 CHEBI:30751 ! has exposure stimulus formic acid [Term] id: ECTO:9000377 name: exposure to furfural def: "An exposure to furfural." [] synonym: "exposure to furfural" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34768 ! has exposure stimulus furfural relationship: RO:0002309 CHEBI:34768 ! has exposure stimulus furfural [Term] id: ECTO:9000378 name: exposure to propan-1-ol def: "An exposure to propan-1-ol." [] synonym: "exposure to propan-1-ol" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28831 ! has exposure stimulus propan-1-ol relationship: RO:0002309 CHEBI:28831 ! has exposure stimulus propan-1-ol [Term] id: ECTO:9000379 name: exposure to decalin def: "An exposure to decalin." [] synonym: "exposure to decalin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38853 ! has exposure stimulus decalin relationship: RO:0002309 CHEBI:38853 ! has exposure stimulus decalin [Term] id: ECTO:9000380 name: exposure to diphenyl ether def: "An exposure to diphenyl ether." [] synonym: "exposure to diphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39258 ! has exposure stimulus diphenyl ether relationship: RO:0002309 CHEBI:39258 ! has exposure stimulus diphenyl ether [Term] id: ECTO:9000381 name: exposure to tetralin def: "An exposure to tetralin." [] synonym: "exposure to tetralin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35008 ! has exposure stimulus tetralin relationship: RO:0002309 CHEBI:35008 ! has exposure stimulus tetralin [Term] id: ECTO:9000383 name: exposure to p-xylene def: "An exposure to p-xylene." [] synonym: "exposure to p-xylene" EXACT [] is_a: ECTO:9000035 ! exposure to xylene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27417 ! has exposure stimulus p-xylene relationship: RO:0002309 CHEBI:27417 ! has exposure stimulus p-xylene [Term] id: ECTO:9000385 name: exposure to hypochlorite def: "An exposure to hypochlorite." [] synonym: "exposure to hypochlorite" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29222 ! has exposure stimulus hypochlorite relationship: RO:0002309 CHEBI:29222 ! has exposure stimulus hypochlorite [Term] id: ECTO:9000386 name: exposure to raffinose def: "An exposure to raffinose." [] synonym: "exposure to raffinose" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16634 ! has exposure stimulus raffinose relationship: RO:0002309 CHEBI:16634 ! has exposure stimulus raffinose [Term] id: ECTO:9000387 name: exposure to paracetamol def: "An exposure to paracetamol." [] synonym: "exposure to paracetamol" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46195 ! has exposure stimulus paracetamol relationship: RO:0002309 CHEBI:46195 ! has exposure stimulus paracetamol [Term] id: ECTO:9000388 name: exposure to paclitaxel def: "An exposure to paclitaxel." [] synonym: "exposure to paclitaxel" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45863 ! has exposure stimulus paclitaxel relationship: RO:0002309 CHEBI:45863 ! has exposure stimulus paclitaxel [Term] id: ECTO:9000389 name: exposure to candesartan def: "An exposure to candesartan." [] synonym: "exposure to candesartan" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3347 ! has exposure stimulus candesartan relationship: RO:0002309 CHEBI:3347 ! has exposure stimulus candesartan [Term] id: ECTO:9000390 name: exposure to fenofibrate def: "An exposure to fenofibrate." [] synonym: "exposure to fenofibrate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5001 ! has exposure stimulus fenofibrate relationship: RO:0002309 CHEBI:5001 ! has exposure stimulus fenofibrate [Term] id: ECTO:9000391 name: exposure to metformin def: "An exposure to metformin." [] synonym: "exposure to metformin" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6801 ! has exposure stimulus metformin relationship: RO:0002309 CHEBI:6801 ! has exposure stimulus metformin [Term] id: ECTO:9000392 name: exposure to ribavirin def: "An exposure to ribavirin." [] synonym: "exposure to ribavirin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63580 ! has exposure stimulus ribavirin relationship: RO:0002309 CHEBI:63580 ! has exposure stimulus ribavirin [Term] id: ECTO:9000393 name: exposure to purvalanol A def: "An exposure to purvalanol A." [] synonym: "exposure to purvalanol A" EXACT [] is_a: ECTO:9000202 ! exposure to purines intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47600 ! has exposure stimulus purvalanol A relationship: RO:0002309 CHEBI:47600 ! has exposure stimulus purvalanol A [Term] id: ECTO:9000394 name: exposure to benomyl def: "An exposure to benomyl." [] synonym: "exposure to benomyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3015 ! has exposure stimulus benomyl relationship: RO:0002309 CHEBI:3015 ! has exposure stimulus benomyl [Term] id: ECTO:9000395 name: exposure to paraquat def: "An exposure to paraquat." [] synonym: "exposure to paraquat" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34905 ! has exposure stimulus paraquat relationship: RO:0002309 CHEBI:34905 ! has exposure stimulus paraquat [Term] id: ECTO:9000396 name: exposure to camptothecin def: "An exposure to camptothecin." [] synonym: "exposure to camptothecin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27656 ! has exposure stimulus camptothecin relationship: RO:0002309 CHEBI:27656 ! has exposure stimulus camptothecin [Term] id: ECTO:9000397 name: exposure to GW 7647 def: "An exposure to GW 7647." [] synonym: "exposure to GW 7647" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70778 ! has exposure stimulus GW 7647 relationship: RO:0002309 CHEBI:70778 ! has exposure stimulus GW 7647 [Term] id: ECTO:9000398 name: exposure to capsazepine def: "An exposure to capsazepine." [] synonym: "exposure to capsazepine" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70773 ! has exposure stimulus capsazepine relationship: RO:0002309 CHEBI:70773 ! has exposure stimulus capsazepine [Term] id: ECTO:9000399 name: exposure to hesperadin def: "An exposure to hesperadin." [] synonym: "exposure to hesperadin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000203 ! exposure to amine is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70726 ! has exposure stimulus hesperadin relationship: RO:0002309 CHEBI:70726 ! has exposure stimulus hesperadin [Term] id: ECTO:9000400 name: exposure to reversine def: "An exposure to reversine." [] synonym: "exposure to reversine" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000202 ! exposure to purines intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70723 ! has exposure stimulus reversine relationship: RO:0002309 CHEBI:70723 ! has exposure stimulus reversine [Term] id: ECTO:9000401 name: exposure to carbendazim def: "An exposure to carbendazim." [] synonym: "exposure to carbendazim" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3392 ! has exposure stimulus carbendazim relationship: RO:0002309 CHEBI:3392 ! has exposure stimulus carbendazim [Term] id: ECTO:9000402 name: exposure to peptide def: "An exposure to peptide." [] synonym: "exposure to peptide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16670 ! has exposure stimulus peptide relationship: RO:0002309 CHEBI:16670 ! has exposure stimulus peptide [Term] id: ECTO:9000404 name: exposure to nitrogen def: "An exposure to nitrogen molecular entity." [] synonym: "exposure to nitrogen molecular entity" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51143 ! has exposure stimulus nitrogen molecular entity relationship: RO:0002309 CHEBI:51143 ! has exposure stimulus nitrogen molecular entity [Term] id: ECTO:9000406 name: exposure to tamsulosin def: "An exposure to tamsulosin." [] synonym: "exposure to tamsulosin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9398 ! has exposure stimulus tamsulosin relationship: RO:0002309 CHEBI:9398 ! has exposure stimulus tamsulosin [Term] id: ECTO:9000407 name: exposure to ketamine def: "An exposure to ketamine." [] synonym: "exposure to ketamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6121 ! has exposure stimulus ketamine relationship: RO:0002309 CHEBI:6121 ! has exposure stimulus ketamine [Term] id: ECTO:9000408 name: exposure to L-glutamate(2-) def: "An exposure to L-glutamate(2-)." [] synonym: "exposure to L-glutamate(2-)" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29988 ! has exposure stimulus L-glutamate(2-) relationship: RO:0002309 CHEBI:29988 ! has exposure stimulus L-glutamate(2-) [Term] id: ECTO:9000409 name: exposure to salt def: "An exposure to salt." [] synonym: "exposure to salt" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24866 ! has exposure stimulus salt relationship: RO:0002309 CHEBI:24866 ! has exposure stimulus salt [Term] id: ECTO:9000410 name: exposure to diethyl maleate def: "An exposure to diethyl maleate." [] synonym: "exposure to diethyl maleate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68508 ! has exposure stimulus diethyl maleate relationship: RO:0002309 CHEBI:68508 ! has exposure stimulus diethyl maleate [Term] id: ECTO:9000411 name: exposure to inositol def: "An exposure to inositol." [] synonym: "exposure to inositol" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24848 ! has exposure stimulus inositol relationship: RO:0002309 CHEBI:24848 ! has exposure stimulus inositol [Term] id: ECTO:9000412 name: exposure to catechin def: "An exposure to catechin." [] synonym: "exposure to catechin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23053 ! has exposure stimulus catechin relationship: RO:0002309 CHEBI:23053 ! has exposure stimulus catechin [Term] id: ECTO:9000413 name: exposure to strigolactone def: "An exposure to strigolactone." [] synonym: "exposure to strigolactone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68487 ! has exposure stimulus strigolactone relationship: RO:0002309 CHEBI:68487 ! has exposure stimulus strigolactone [Term] id: ECTO:9000414 name: exposure to chloroquine def: "An exposure to chloroquine." [] synonym: "exposure to chloroquine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3638 ! has exposure stimulus chloroquine relationship: RO:0002309 CHEBI:3638 ! has exposure stimulus chloroquine [Term] id: ECTO:9000415 name: exposure to imidacloprid def: "An exposure to imidacloprid." [] synonym: "exposure to imidacloprid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5870 ! has exposure stimulus imidacloprid relationship: RO:0002309 CHEBI:5870 ! has exposure stimulus imidacloprid [Term] id: ECTO:9000416 name: exposure to vanadate(3-) def: "An exposure to vanadate(3-)." [] synonym: "exposure to vanadate(3-)" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001298 ! exposure to vanadium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46442 ! has exposure stimulus vanadate(3-) relationship: RO:0002309 CHEBI:46442 ! has exposure stimulus vanadate(3-) [Term] id: ECTO:9000417 name: exposure to cyclophosphamide def: "An exposure to cyclophosphamide." [] synonym: "exposure to cyclophosphamide" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4027 ! has exposure stimulus cyclophosphamide relationship: RO:0002309 CHEBI:4027 ! has exposure stimulus cyclophosphamide [Term] id: ECTO:9000418 name: exposure to docetaxel trihydrate def: "An exposure to docetaxel trihydrate." [] synonym: "exposure to docetaxel trihydrate" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59809 ! has exposure stimulus docetaxel trihydrate relationship: RO:0002309 CHEBI:59809 ! has exposure stimulus docetaxel trihydrate [Term] id: ECTO:9000419 name: exposure to doxorubicin def: "An exposure to doxorubicin." [] synonym: "exposure to doxorubicin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000436 ! exposure to glycoside is_a: ECTO:9001246 ! exposure to quinone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28748 ! has exposure stimulus doxorubicin relationship: RO:0002309 CHEBI:28748 ! has exposure stimulus doxorubicin [Term] id: ECTO:9000420 name: exposure to etoposide def: "An exposure to etoposide." [] synonym: "exposure to etoposide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000495 ! exposure to glucoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4911 ! has exposure stimulus etoposide relationship: RO:0002309 CHEBI:4911 ! has exposure stimulus etoposide [Term] id: ECTO:9000421 name: exposure to 4'-epidoxorubicin def: "An exposure to 4'-epidoxorubicin." [] synonym: "exposure to 4'-epidoxorubicin" EXACT [] is_a: ECTO:9000436 ! exposure to glycoside is_a: ECTO:9001246 ! exposure to quinone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47898 ! has exposure stimulus 4'-epidoxorubicin relationship: RO:0002309 CHEBI:47898 ! has exposure stimulus 4'-epidoxorubicin [Term] id: ECTO:9000422 name: exposure to N-phenylthiourea def: "An exposure to N-phenylthiourea." [] synonym: "exposure to N-phenylthiourea" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46261 ! has exposure stimulus N-phenylthiourea relationship: RO:0002309 CHEBI:46261 ! has exposure stimulus N-phenylthiourea [Term] id: ECTO:9000423 name: exposure to fluoride def: "An exposure to fluoride." [] synonym: "exposure to fluoride" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17051 ! has exposure stimulus fluoride relationship: RO:0002309 CHEBI:17051 ! has exposure stimulus fluoride [Term] id: ECTO:9000424 name: exposure to isobutanol def: "An exposure to isobutanol." [] synonym: "exposure to isobutanol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46645 ! has exposure stimulus isobutanol relationship: RO:0002309 CHEBI:46645 ! has exposure stimulus isobutanol [Term] id: ECTO:9000425 name: exposure to plumbagin def: "An exposure to plumbagin." [] synonym: "exposure to plumbagin" EXACT [] is_a: ECTO:9001246 ! exposure to quinone is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8273 ! has exposure stimulus plumbagin relationship: RO:0002309 CHEBI:8273 ! has exposure stimulus plumbagin [Term] id: ECTO:9000426 name: exposure to alkane def: "An exposure to alkane." [] synonym: "exposure to alkane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18310 ! has exposure stimulus alkane relationship: RO:0002309 CHEBI:18310 ! has exposure stimulus alkane [Term] id: ECTO:9000427 name: exposure to nonane def: "An exposure to nonane." [] synonym: "exposure to nonane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32892 ! has exposure stimulus nonane relationship: RO:0002309 CHEBI:32892 ! has exposure stimulus nonane [Term] id: ECTO:9000428 name: exposure to decane def: "An exposure to decane." [] synonym: "exposure to decane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41808 ! has exposure stimulus decane relationship: RO:0002309 CHEBI:41808 ! has exposure stimulus decane [Term] id: ECTO:9000429 name: exposure to undecane def: "An exposure to undecane." [] synonym: "exposure to undecane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46342 ! has exposure stimulus undecane relationship: RO:0002309 CHEBI:46342 ! has exposure stimulus undecane [Term] id: ECTO:9000430 name: exposure to dodecane def: "An exposure to dodecane." [] synonym: "exposure to dodecane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28817 ! has exposure stimulus dodecane relationship: RO:0002309 CHEBI:28817 ! has exposure stimulus dodecane [Term] id: ECTO:9000431 name: exposure to isooctane def: "An exposure to isooctane." [] synonym: "exposure to isooctane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62805 ! has exposure stimulus isooctane relationship: RO:0002309 CHEBI:62805 ! has exposure stimulus isooctane [Term] id: ECTO:9000432 name: exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one def: "An exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one." [] synonym: "exposure to 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64598 ! has exposure stimulus 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one relationship: RO:0002309 CHEBI:64598 ! has exposure stimulus 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one [Term] id: ECTO:9000433 name: exposure to polycyclic arene def: "An exposure to polycyclic arene." [] synonym: "exposure to polycyclic arene" EXACT [] is_a: ECTO:9002148 ! exposure to polycyclic hydrocarbon intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33848 ! has exposure stimulus polycyclic arene relationship: RO:0002309 CHEBI:33848 ! has exposure stimulus polycyclic arene [Term] id: ECTO:9000434 name: exposure to dopamine def: "An exposure to dopamine." [] synonym: "exposure to dopamine" EXACT [] is_a: ECTO:9000319 ! exposure to catecholamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18243 ! has exposure stimulus dopamine relationship: RO:0002309 CHEBI:18243 ! has exposure stimulus dopamine [Term] id: ECTO:9000435 name: exposure to bile acid def: "An exposure to bile acid." [] synonym: "exposure to bile acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3098 ! has exposure stimulus bile acid relationship: RO:0002309 CHEBI:3098 ! has exposure stimulus bile acid [Term] id: ECTO:9000436 name: exposure to glycoside def: "An exposure to glycoside." [] synonym: "exposure to glycoside" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24400 ! has exposure stimulus glycoside relationship: RO:0002309 CHEBI:24400 ! has exposure stimulus glycoside [Term] id: ECTO:9000437 name: exposure to lipoic acid def: "An exposure to lipoic acid." [] synonym: "exposure to lipoic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16494 ! has exposure stimulus lipoic acid relationship: RO:0002309 CHEBI:16494 ! has exposure stimulus lipoic acid [Term] id: ECTO:9000438 name: exposure to simvastatin def: "An exposure to simvastatin." [] synonym: "exposure to simvastatin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000259 ! exposure to statin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9150 ! has exposure stimulus simvastatin relationship: RO:0002309 CHEBI:9150 ! has exposure stimulus simvastatin [Term] id: ECTO:9000439 name: exposure to acetylsalicylate def: "An exposure to acetylsalicylate." [] synonym: "exposure to acetylsalicylate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:13719 ! has exposure stimulus acetylsalicylate relationship: RO:0002309 CHEBI:13719 ! has exposure stimulus acetylsalicylate [Term] id: ECTO:9000440 name: exposure to clopidogrel def: "An exposure to clopidogrel." [] synonym: "exposure to clopidogrel" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37941 ! has exposure stimulus clopidogrel relationship: RO:0002309 CHEBI:37941 ! has exposure stimulus clopidogrel [Term] id: ECTO:9000441 name: exposure to dehydroepiandrosterone def: "An exposure to dehydroepiandrosterone." [] synonym: "exposure to dehydroepiandrosterone" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28689 ! has exposure stimulus dehydroepiandrosterone relationship: RO:0002309 CHEBI:28689 ! has exposure stimulus dehydroepiandrosterone [Term] id: ECTO:9000442 name: exposure to 11-deoxycorticosterone def: "An exposure to 11-deoxycorticosterone." [] synonym: "exposure to 11-deoxycorticosterone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000294 ! exposure to mineralocorticoid is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16973 ! has exposure stimulus 11-deoxycorticosterone relationship: RO:0002309 CHEBI:16973 ! has exposure stimulus 11-deoxycorticosterone [Term] id: ECTO:9000443 name: exposure to butyrate def: "An exposure to butyrate." [] synonym: "exposure to butyrate" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17968 ! has exposure stimulus butyrate relationship: RO:0002309 CHEBI:17968 ! has exposure stimulus butyrate [Term] id: ECTO:9000444 name: exposure to L-arginine def: "An exposure to L-arginine." [] synonym: "exposure to L-arginine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16467 ! has exposure stimulus L-arginine relationship: RO:0002309 CHEBI:16467 ! has exposure stimulus L-arginine [Term] id: ECTO:9000446 name: exposure to arsenite(3-) def: "An exposure to arsenite(3-)." [] synonym: "exposure to arsenite(3-)" EXACT [] is_a: ECTO:9000447 ! exposure to arsenite ion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29866 ! has exposure stimulus arsenite(3-) relationship: RO:0002309 CHEBI:29866 ! has exposure stimulus arsenite(3-) [Term] id: ECTO:9000447 name: exposure to arsenite ion def: "An exposure to arsenite ion." [] synonym: "exposure to arsenite ion" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000032 ! exposure to arsenic is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22633 ! has exposure stimulus arsenite ion relationship: RO:0002309 CHEBI:22633 ! has exposure stimulus arsenite ion [Term] id: ECTO:9000449 name: exposure to cyanide def: "An exposure to cyanide." [] synonym: "exposure to cyanide" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17514 ! has exposure stimulus cyanide relationship: RO:0002309 CHEBI:17514 ! has exposure stimulus cyanide [Term] id: ECTO:9000450 name: exposure to sodium arsenite def: "An exposure to sodium arsenite." [] synonym: "exposure to sodium arsenite" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000032 ! exposure to arsenic is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29678 ! has exposure stimulus sodium arsenite relationship: RO:0002309 CHEBI:29678 ! has exposure stimulus sodium arsenite [Term] id: ECTO:9000451 name: exposure to acrylamide def: "An exposure to acrylamide." [] synonym: "exposure to acrylamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28619 ! has exposure stimulus acrylamide relationship: RO:0002309 CHEBI:28619 ! has exposure stimulus acrylamide [Term] id: ECTO:9000452 name: exposure to latrunculin B def: "An exposure to latrunculin B." [] synonym: "exposure to latrunculin B" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49703 ! has exposure stimulus latrunculin B relationship: RO:0002309 CHEBI:49703 ! has exposure stimulus latrunculin B [Term] id: ECTO:9000453 name: exposure to micafungin def: "An exposure to micafungin." [] synonym: "exposure to micafungin" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:600520 ! has exposure stimulus micafungin relationship: RO:0002309 CHEBI:600520 ! has exposure stimulus micafungin [Term] id: ECTO:9000454 name: exposure to monosodium glutamate def: "An exposure to monosodium glutamate." [] synonym: "exposure to monosodium glutamate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64220 ! has exposure stimulus monosodium glutamate relationship: RO:0002309 CHEBI:64220 ! has exposure stimulus monosodium glutamate [Term] id: ECTO:9000455 name: exposure to Aroclor 1254 def: "An exposure to Aroclor 1254." [] synonym: "exposure to Aroclor 1254" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63933 ! has exposure stimulus Aroclor 1254 relationship: RO:0002309 CHEBI:63933 ! has exposure stimulus Aroclor 1254 [Term] id: ECTO:9000456 name: exposure to serotonin def: "An exposure to serotonin." [] synonym: "exposure to serotonin" EXACT [] is_a: ECTO:9000318 ! exposure to monoamine is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28790 ! has exposure stimulus serotonin relationship: RO:0002309 CHEBI:28790 ! has exposure stimulus serotonin [Term] id: ECTO:9000457 name: exposure to Thyroglobulin triiodothyronine def: "An exposure to Thyroglobulin triiodothyronine." [] synonym: "exposure to Thyroglobulin triiodothyronine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:80690 ! has exposure stimulus Thyroglobulin triiodothyronine relationship: RO:0002309 CHEBI:80690 ! has exposure stimulus Thyroglobulin triiodothyronine [Term] id: ECTO:9000458 name: exposure to aldosterone def: "An exposure to aldosterone." [] synonym: "exposure to aldosterone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000294 ! exposure to mineralocorticoid is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27584 ! has exposure stimulus aldosterone relationship: RO:0002309 CHEBI:27584 ! has exposure stimulus aldosterone [Term] id: ECTO:9000459 name: exposure to acadesine def: "An exposure to acadesine." [] synonym: "exposure to acadesine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28498 ! has exposure stimulus acadesine relationship: RO:0002309 CHEBI:28498 ! has exposure stimulus acadesine [Term] id: ECTO:9000460 name: exposure to vasopressin def: "An exposure to vasopressin." [] synonym: "exposure to vasopressin" EXACT [] is_a: ECTO:9000273 ! exposure to peptide hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9937 ! has exposure stimulus vasopressin relationship: RO:0002309 CHEBI:9937 ! has exposure stimulus vasopressin [Term] id: ECTO:9000461 name: exposure to Nonylphenol def: "An exposure to Nonylphenol." [] synonym: "exposure to Nonylphenol" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:79516 ! has exposure stimulus Nonylphenol relationship: RO:0002309 CHEBI:79516 ! has exposure stimulus Nonylphenol [Term] id: ECTO:9000462 name: exposure to desipramine def: "An exposure to desipramine." [] synonym: "exposure to desipramine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47781 ! has exposure stimulus desipramine relationship: RO:0002309 CHEBI:47781 ! has exposure stimulus desipramine [Term] id: ECTO:9000463 name: exposure to cordycepin def: "An exposure to cordycepin." [] synonym: "exposure to cordycepin" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000202 ! exposure to purines intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29014 ! has exposure stimulus cordycepin relationship: RO:0002309 CHEBI:29014 ! has exposure stimulus cordycepin [Term] id: ECTO:9000464 name: exposure to gold(3+) def: "An exposure to gold(3+)." [] synonym: "exposure to gold(3+)" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000516 ! exposure to gold intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49496 ! has exposure stimulus gold(3+) relationship: RO:0002309 CHEBI:49496 ! has exposure stimulus gold(3+) [Term] id: ECTO:9000465 name: exposure to methamphetamine hydrochloride def: "An exposure to methamphetamine hydrochloride." [] synonym: "exposure to methamphetamine hydrochloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35340 ! has exposure stimulus methamphetamine hydrochloride relationship: RO:0002309 CHEBI:35340 ! has exposure stimulus methamphetamine hydrochloride [Term] id: ECTO:9000466 name: exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine def: "An exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine." [] synonym: "exposure to 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000304 ! exposure to ammonium ion is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44811 ! has exposure stimulus 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine relationship: RO:0002309 CHEBI:44811 ! has exposure stimulus 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine [Term] id: ECTO:9000467 name: exposure to forskolin def: "An exposure to forskolin." [] synonym: "exposure to forskolin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:42471 ! has exposure stimulus forskolin relationship: RO:0002309 CHEBI:42471 ! has exposure stimulus forskolin [Term] id: ECTO:9000468 name: exposure to kainic acid def: "An exposure to kainic acid." [] synonym: "exposure to kainic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31746 ! has exposure stimulus kainic acid relationship: RO:0002309 CHEBI:31746 ! has exposure stimulus kainic acid [Term] id: ECTO:9000469 name: exposure to sodium phosphate def: "An exposure to sodium phosphate." [] synonym: "exposure to sodium phosphate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37586 ! has exposure stimulus sodium phosphate relationship: RO:0002309 CHEBI:37586 ! has exposure stimulus sodium phosphate [Term] id: ECTO:9000470 name: exposure to L-phenylalanine derivative def: "An exposure to L-phenylalanine derivative." [] synonym: "exposure to L-phenylalanine derivative" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84144 ! has exposure stimulus L-phenylalanine derivative relationship: RO:0002309 CHEBI:84144 ! has exposure stimulus L-phenylalanine derivative [Term] id: ECTO:9000471 name: exposure to Thyroid stimulating hormone def: "An exposure to thyroid stimulating hormone." [] synonym: "exposure to thyroid stimulating hormone" EXACT [] is_a: ECTO:9000487 ! exposure to glycoprotein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81567 ! has exposure stimulus thyroid stimulating hormone relationship: RO:0002309 CHEBI:81567 ! has exposure stimulus thyroid stimulating hormone [Term] id: ECTO:9000472 name: exposure to nocodazole def: "An exposure to nocodazole." [] synonym: "exposure to nocodazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34892 ! has exposure stimulus nocodazole relationship: RO:0002309 CHEBI:34892 ! has exposure stimulus nocodazole [Term] id: ECTO:9000474 name: exposure to D-galactosamine def: "An exposure to D-galactosamine." [] synonym: "exposure to D-galactosamine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28328 ! has exposure stimulus D-galactosamine relationship: RO:0002309 CHEBI:28328 ! has exposure stimulus D-galactosamine [Term] id: ECTO:9000475 name: exposure to L-dopa def: "An exposure to L-dopa." [] synonym: "exposure to L-dopa" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid is_a: ECTO:9000470 ! exposure to L-phenylalanine derivative intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15765 ! has exposure stimulus L-dopa relationship: RO:0002309 CHEBI:15765 ! has exposure stimulus L-dopa [Term] id: ECTO:9000476 name: exposure to tetrahydrofolate def: "An exposure to tetrahydrofolate." [] synonym: "exposure to tetrahydrofolate" EXACT [] is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67016 ! has exposure stimulus tetrahydrofolate relationship: RO:0002309 CHEBI:67016 ! has exposure stimulus tetrahydrofolate [Term] id: ECTO:9000477 name: exposure to 17alpha-ethynylestradiol def: "An exposure to 17alpha-ethynylestradiol." [] synonym: "exposure to 17alpha-ethynylestradiol" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0002002 ! exposure to steroid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4903 ! has exposure stimulus 17alpha-ethynylestradiol relationship: RO:0002309 CHEBI:4903 ! has exposure stimulus 17alpha-ethynylestradiol [Term] id: ECTO:9000478 name: exposure to arachidonic acid def: "An exposure to arachidonic acid." [] synonym: "exposure to arachidonic acid" EXACT [] is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15843 ! has exposure stimulus arachidonic acid relationship: RO:0002309 CHEBI:15843 ! has exposure stimulus arachidonic acid [Term] id: ECTO:9000479 name: exposure to dextromethorphan def: "An exposure to dextromethorphan." [] synonym: "exposure to dextromethorphan" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000200 ! exposure to isoquinoline alkaloid is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4470 ! has exposure stimulus dextromethorphan relationship: RO:0002309 CHEBI:4470 ! has exposure stimulus dextromethorphan [Term] id: ECTO:9000480 name: exposure to diphenidol def: "An exposure to diphenidol." [] synonym: "exposure to diphenidol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4638 ! has exposure stimulus diphenidol relationship: RO:0002309 CHEBI:4638 ! has exposure stimulus diphenidol [Term] id: ECTO:9000481 name: exposure to 1-oleoyl-sn-glycerol 3-phosphate def: "An exposure to 1-oleoyl-sn-glycerol 3-phosphate." [] synonym: "exposure to 1-oleoyl-sn-glycerol 3-phosphate" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62837 ! has exposure stimulus 1-oleoyl-sn-glycerol 3-phosphate relationship: RO:0002309 CHEBI:62837 ! has exposure stimulus 1-oleoyl-sn-glycerol 3-phosphate [Term] id: ECTO:9000482 name: exposure to wortmannin def: "An exposure to wortmannin." [] synonym: "exposure to wortmannin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52289 ! has exposure stimulus wortmannin relationship: RO:0002309 CHEBI:52289 ! has exposure stimulus wortmannin [Term] id: ECTO:9000483 name: exposure to tunicamycin def: "An exposure to tunicamycin." [] synonym: "exposure to tunicamycin" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29699 ! has exposure stimulus tunicamycin relationship: RO:0002309 CHEBI:29699 ! has exposure stimulus tunicamycin [Term] id: ECTO:9000484 name: exposure to thapsigargin def: "An exposure to thapsigargin." [] synonym: "exposure to thapsigargin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9516 ! has exposure stimulus thapsigargin relationship: RO:0002309 CHEBI:9516 ! has exposure stimulus thapsigargin [Term] id: ECTO:9000485 name: exposure to polyamine macromolecule def: "An exposure to polyamine macromolecule." [] synonym: "exposure to polyamine macromolecule" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51349 ! has exposure stimulus polyamine macromolecule relationship: RO:0002309 CHEBI:51349 ! has exposure stimulus polyamine macromolecule [Term] id: ECTO:9000486 name: exposure to putrescine def: "An exposure to putrescine." [] synonym: "exposure to putrescine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17148 ! has exposure stimulus putrescine relationship: RO:0002309 CHEBI:17148 ! has exposure stimulus putrescine [Term] id: ECTO:9000487 name: exposure to glycoprotein def: "An exposure to glycoprotein." [] synonym: "exposure to glycoprotein" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9002133 ! exposure to protein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17089 ! has exposure stimulus glycoprotein relationship: RO:0002309 CHEBI:17089 ! has exposure stimulus glycoprotein [Term] id: ECTO:9000488 name: exposure to monosodium L-glutamate def: "An exposure to monosodium L-glutamate." [] synonym: "exposure to monosodium L-glutamate" EXACT [] is_a: ECTO:9000454 ! exposure to monosodium glutamate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64243 ! has exposure stimulus monosodium L-glutamate relationship: RO:0002309 CHEBI:64243 ! has exposure stimulus monosodium L-glutamate [Term] id: ECTO:9000489 name: exposure to 3,3',4,4',5-pentachlorobiphenyl def: "An exposure to 3,3',4,4',5-pentachlorobiphenyl." [] synonym: "exposure to 3,3',4,4',5-pentachlorobiphenyl" EXACT [] is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34317 ! has exposure stimulus 3,3',4,4',5-pentachlorobiphenyl relationship: RO:0002309 CHEBI:34317 ! has exposure stimulus 3,3',4,4',5-pentachlorobiphenyl [Term] id: ECTO:9000490 name: exposure to 2,3,7,8-tetrachlorodibenzodioxine def: "An exposure to 2,3,7,8-tetrachlorodibenzodioxine." [] synonym: "exposure to 2,3,7,8-tetrachlorodibenzodioxine" EXACT [] is_a: ECTO:9001625 ! exposure to polychlorinated dibenzodioxine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28119 ! has exposure stimulus 2,3,7,8-tetrachlorodibenzodioxine relationship: RO:0002309 CHEBI:28119 ! has exposure stimulus 2,3,7,8-tetrachlorodibenzodioxine [Term] id: ECTO:9000491 name: exposure to biphenyl def: "An exposure to biphenyl." [] synonym: "exposure to biphenyl" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17097 ! has exposure stimulus biphenyl relationship: RO:0002309 CHEBI:17097 ! has exposure stimulus biphenyl [Term] id: ECTO:9000492 name: exposure to dimethyl sulfoxide def: "An exposure to dimethyl sulfoxide." [] synonym: "exposure to dimethyl sulfoxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28262 ! has exposure stimulus dimethyl sulfoxide relationship: RO:0002309 CHEBI:28262 ! has exposure stimulus dimethyl sulfoxide [Term] id: ECTO:9000493 name: exposure to phorbol 13-acetate 12-myristate def: "An exposure to phorbol 13-acetate 12-myristate." [] synonym: "exposure to phorbol 13-acetate 12-myristate" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37537 ! has exposure stimulus phorbol 13-acetate 12-myristate relationship: RO:0002309 CHEBI:37537 ! has exposure stimulus phorbol 13-acetate 12-myristate [Term] id: ECTO:9000494 name: exposure to diterpene def: "An exposure to diterpene." [] synonym: "exposure to diterpene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35190 ! has exposure stimulus diterpene relationship: RO:0002309 CHEBI:35190 ! has exposure stimulus diterpene [Term] id: ECTO:9000495 name: exposure to glucoside def: "An exposure to glucoside." [] synonym: "exposure to glucoside" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000436 ! exposure to glycoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24278 ! has exposure stimulus glucoside relationship: RO:0002309 CHEBI:24278 ! has exposure stimulus glucoside [Term] id: ECTO:9000496 name: exposure to ionomycin def: "An exposure to ionomycin." [] synonym: "exposure to ionomycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63954 ! has exposure stimulus ionomycin relationship: RO:0002309 CHEBI:63954 ! has exposure stimulus ionomycin [Term] id: ECTO:9000497 name: exposure to resveratrol def: "An exposure to resveratrol." [] synonym: "exposure to resveratrol" EXACT [] is_a: ECTO:9000251 ! exposure to stilbenoid is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27881 ! has exposure stimulus resveratrol relationship: RO:0002309 CHEBI:27881 ! has exposure stimulus resveratrol [Term] id: ECTO:9000498 name: exposure to methionine def: "An exposure to methionine." [] synonym: "exposure to methionine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16811 ! has exposure stimulus methionine relationship: RO:0002309 CHEBI:16811 ! has exposure stimulus methionine [Term] id: ECTO:9000499 name: exposure to dinitrophenol def: "An exposure to dinitrophenol." [] synonym: "exposure to dinitrophenol" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39352 ! has exposure stimulus dinitrophenol relationship: RO:0002309 CHEBI:39352 ! has exposure stimulus dinitrophenol [Term] id: ECTO:9000500 name: exposure to curcumin def: "An exposure to curcumin." [] synonym: "exposure to curcumin" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3962 ! has exposure stimulus curcumin relationship: RO:0002309 CHEBI:3962 ! has exposure stimulus curcumin [Term] id: ECTO:9000501 name: exposure to beta-amyloid def: "An exposure to amyloid-beta." [] synonym: "exposure to amyloid-beta" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64645 ! has exposure stimulus amyloid-beta relationship: RO:0002309 CHEBI:64645 ! has exposure stimulus amyloid-beta [Term] id: ECTO:9000502 name: exposure to rotenone def: "An exposure to rotenone." [] synonym: "exposure to rotenone" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28201 ! has exposure stimulus rotenone relationship: RO:0002309 CHEBI:28201 ! has exposure stimulus rotenone [Term] id: ECTO:9000503 name: exposure to 3-methylcholanthrene def: "An exposure to 3-methylcholanthrene." [] synonym: "exposure to 3-methylcholanthrene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34342 ! has exposure stimulus 3-methylcholanthrene relationship: RO:0002309 CHEBI:34342 ! has exposure stimulus 3-methylcholanthrene [Term] id: ECTO:9000505 name: exposure to latrunculin A def: "An exposure to latrunculin A." [] synonym: "exposure to latrunculin A" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:69136 ! has exposure stimulus latrunculin A relationship: RO:0002309 CHEBI:69136 ! has exposure stimulus latrunculin A [Term] id: ECTO:9000507 name: exposure to L-glutamine def: "An exposure to L-glutamine." [] synonym: "exposure to L-glutamine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18050 ! has exposure stimulus L-glutamine relationship: RO:0002309 CHEBI:18050 ! has exposure stimulus L-glutamine [Term] id: ECTO:9000508 name: exposure to hydrogen sulfide def: "An exposure to hydrogen sulfide." [] synonym: "exposure to hydrogen sulfide" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16136 ! has exposure stimulus hydrogen sulfide relationship: RO:0002309 CHEBI:16136 ! has exposure stimulus hydrogen sulfide [Term] id: ECTO:9000509 name: exposure to palmitoleic acid def: "An exposure to palmitoleic acid." [] synonym: "exposure to palmitoleic acid" EXACT [] is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28716 ! has exposure stimulus palmitoleic acid relationship: RO:0002309 CHEBI:28716 ! has exposure stimulus palmitoleic acid [Term] id: ECTO:9000510 name: exposure to bleomycin def: "An exposure to bleomycin." [] synonym: "exposure to bleomycin" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22907 ! has exposure stimulus bleomycin relationship: RO:0002309 CHEBI:22907 ! has exposure stimulus bleomycin [Term] id: ECTO:9000511 name: exposure to diosgenin def: "An exposure to diosgenin." [] synonym: "exposure to diosgenin" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4629 ! has exposure stimulus diosgenin relationship: RO:0002309 CHEBI:4629 ! has exposure stimulus diosgenin [Term] id: ECTO:9000512 name: exposure to haloperidol def: "An exposure to haloperidol." [] synonym: "exposure to haloperidol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5613 ! has exposure stimulus haloperidol relationship: RO:0002309 CHEBI:5613 ! has exposure stimulus haloperidol [Term] id: ECTO:9000513 name: exposure to acetylcholine def: "An exposure to acetylcholine." [] synonym: "exposure to acetylcholine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000304 ! exposure to ammonium ion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15355 ! has exposure stimulus acetylcholine relationship: RO:0002309 CHEBI:15355 ! has exposure stimulus acetylcholine [Term] id: ECTO:9000514 name: exposure to temozolomide def: "An exposure to temozolomide." [] synonym: "exposure to temozolomide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:72564 ! has exposure stimulus temozolomide relationship: RO:0002309 CHEBI:72564 ! has exposure stimulus temozolomide [Term] id: ECTO:9000516 name: exposure to gold def: "An exposure to gold molecular entity." [] synonym: "exposure to gold molecular entity" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33969 ! has exposure stimulus gold molecular entity relationship: RO:0002309 CHEBI:33969 ! has exposure stimulus gold molecular entity [Term] id: ECTO:9000517 name: exposure to angiotensin def: "An exposure to angiotensin." [] synonym: "exposure to angiotensin" EXACT [] is_a: ECTO:9000273 ! exposure to peptide hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48433 ! has exposure stimulus angiotensin relationship: RO:0002309 CHEBI:48433 ! has exposure stimulus angiotensin [Term] id: ECTO:9000518 name: exposure to double-stranded DNA def: "An exposure to double-stranded DNA." [] synonym: "exposure to double-stranded DNA" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4705 ! has exposure stimulus double-stranded DNA relationship: RO:0002309 CHEBI:4705 ! has exposure stimulus double-stranded DNA [Term] id: ECTO:9000519 name: exposure to dioxygen def: "An exposure to dioxygen." [] synonym: "exposure to dioxygen" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15379 ! has exposure stimulus dioxygen relationship: RO:0002309 CHEBI:15379 ! has exposure stimulus dioxygen [Term] id: ECTO:9000521 name: exposure to atrazine def: "An exposure to atrazine." [] synonym: "exposure to atrazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15930 ! has exposure stimulus atrazine relationship: RO:0002309 CHEBI:15930 ! has exposure stimulus atrazine [Term] id: ECTO:9000522 name: exposure to phthalate def: "An exposure to phthalate." [] synonym: "exposure to phthalate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26092 ! has exposure stimulus phthalate relationship: RO:0002309 CHEBI:26092 ! has exposure stimulus phthalate [Term] id: ECTO:9000524 name: exposure to chlorobenzene def: "An exposure to chlorobenzene." [] synonym: "exposure to chlorobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28097 ! has exposure stimulus chlorobenzene relationship: RO:0002309 CHEBI:28097 ! has exposure stimulus chlorobenzene [Term] id: ECTO:9000527 name: exposure to nitrobenzene def: "An exposure to nitrobenzene." [] synonym: "exposure to nitrobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27798 ! has exposure stimulus nitrobenzene relationship: RO:0002309 CHEBI:27798 ! has exposure stimulus nitrobenzene [Term] id: ECTO:9000528 name: obsolete styrene exposure is_obsolete: true replaced_by: ECTO:9000069 [Term] id: ECTO:9000529 name: obsolete tetrachloroethene exposure is_obsolete: true replaced_by: ECTO:9000074 [Term] id: ECTO:9000530 name: exposure to trichloroethene def: "An exposure to trichloroethene." [] synonym: "exposure to trichloroethene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16602 ! has exposure stimulus trichloroethene relationship: RO:0002309 CHEBI:16602 ! has exposure stimulus trichloroethene [Term] id: ECTO:9000531 name: exposure to o-xylene def: "An exposure to o-xylene." [] synonym: "exposure to o-xylene" EXACT [] is_a: ECTO:9000035 ! exposure to xylene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28063 ! has exposure stimulus o-xylene relationship: RO:0002309 CHEBI:28063 ! has exposure stimulus o-xylene [Term] id: ECTO:9000532 name: exposure to thiocyanate def: "An exposure to thiocyanate." [] synonym: "exposure to thiocyanate" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18022 ! has exposure stimulus thiocyanate relationship: RO:0002309 CHEBI:18022 ! has exposure stimulus thiocyanate [Term] id: ECTO:9000533 name: exposure to organofluorine compound def: "An exposure to organofluorine compound." [] synonym: "exposure to organofluorine compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001124 ! exposure to fluorine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37143 ! has exposure stimulus organofluorine compound relationship: RO:0002309 CHEBI:37143 ! has exposure stimulus organofluorine compound [Term] id: ECTO:9000534 name: exposure to organoarsenic compound def: "An exposure to organoarsenic compound." [] synonym: "exposure to organoarsenic compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000032 ! exposure to arsenic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33406 ! has exposure stimulus organoarsenic compound relationship: RO:0002309 CHEBI:33406 ! has exposure stimulus organoarsenic compound [Term] id: ECTO:9000535 name: obsolete polychlorobiphenyl exposure is_obsolete: true replaced_by: ECTO:9000068 [Term] id: ECTO:9000537 name: exposure to ciprofloxacin def: "An exposure to ciprofloxacin." [] synonym: "exposure to ciprofloxacin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:100241 ! has exposure stimulus ciprofloxacin relationship: RO:0002309 CHEBI:100241 ! has exposure stimulus ciprofloxacin [Term] id: ECTO:9000538 name: exposure to norfloxacin def: "An exposure to norfloxacin." [] synonym: "exposure to norfloxacin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:100246 ! has exposure stimulus norfloxacin relationship: RO:0002309 CHEBI:100246 ! has exposure stimulus norfloxacin [Term] id: ECTO:9000539 name: exposure to thiopental def: "An exposure to thiopental." [] synonym: "exposure to thiopental" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:102166 ! has exposure stimulus thiopental relationship: RO:0002309 CHEBI:102166 ! has exposure stimulus thiopental [Term] id: ECTO:9000540 name: exposure to sulfamethazine def: "An exposure to sulfamethazine." [] synonym: "exposure to sulfamethazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:102265 ! has exposure stimulus sulfamethazine relationship: RO:0002309 CHEBI:102265 ! has exposure stimulus sulfamethazine [Term] id: ECTO:9000541 name: exposure to 1-(3-chlorophenyl)piperazine def: "An exposure to 1-(3-chlorophenyl)piperazine." [] synonym: "exposure to 1-(3-chlorophenyl)piperazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:10588 ! has exposure stimulus 1-(3-chlorophenyl)piperazine relationship: RO:0002309 CHEBI:10588 ! has exposure stimulus 1-(3-chlorophenyl)piperazine [Term] id: ECTO:9000542 name: exposure to metoclopramide def: "An exposure to metoclopramide." [] synonym: "exposure to metoclopramide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:107736 ! has exposure stimulus metoclopramide relationship: RO:0002309 CHEBI:107736 ! has exposure stimulus metoclopramide [Term] id: ECTO:9000543 name: exposure to 2-hydroxybenzothiazole def: "An exposure to 2-hydroxybenzothiazole." [] synonym: "exposure to 2-hydroxybenzothiazole" EXACT [] is_a: ECTO:9000711 ! exposure to benzothiazole intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:115196 ! has exposure stimulus 2-hydroxybenzothiazole relationship: RO:0002309 CHEBI:115196 ! has exposure stimulus 2-hydroxybenzothiazole [Term] id: ECTO:9000544 name: exposure to diuron def: "An exposure to diuron." [] synonym: "exposure to diuron" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:116509 ! has exposure stimulus diuron relationship: RO:0002309 CHEBI:116509 ! has exposure stimulus diuron [Term] id: ECTO:9000545 name: exposure to atomoxetine def: "An exposure to atomoxetine." [] synonym: "exposure to atomoxetine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:127342 ! has exposure stimulus atomoxetine relationship: RO:0002309 CHEBI:127342 ! has exposure stimulus atomoxetine [Term] id: ECTO:9000546 name: exposure to sulfapyridine def: "An exposure to sulfapyridine." [] synonym: "exposure to sulfapyridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:132842 ! has exposure stimulus sulfapyridine relationship: RO:0002309 CHEBI:132842 ! has exposure stimulus sulfapyridine [Term] id: ECTO:9000547 name: exposure to 3,3',4,4'-tetrachlorobiphenyl def: "An exposure to 3,3',4,4'-tetrachlorobiphenyl." [] synonym: "exposure to 3,3',4,4'-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:1367 ! has exposure stimulus 3,3',4,4'-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:1367 ! has exposure stimulus 3,3',4,4'-tetrachlorobiphenyl [Term] id: ECTO:9000548 name: exposure to (-)-ephedrine def: "An exposure to (-)-ephedrine." [] synonym: "exposure to (-)-ephedrine" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15407 ! has exposure stimulus (-)-ephedrine relationship: RO:0002309 CHEBI:15407 ! has exposure stimulus (-)-ephedrine [Term] id: ECTO:9000549 name: exposure to cyclohexylsulfamic acid def: "An exposure to cyclohexylsulfamic acid." [] synonym: "exposure to cyclohexylsulfamic acid" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15964 ! has exposure stimulus cyclohexylsulfamic acid relationship: RO:0002309 CHEBI:15964 ! has exposure stimulus cyclohexylsulfamic acid [Term] id: ECTO:9000550 name: exposure to aminophenazone def: "An exposure to aminophenazone." [] synonym: "exposure to aminophenazone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:160246 ! has exposure stimulus aminophenazone relationship: RO:0002309 CHEBI:160246 ! has exposure stimulus aminophenazone [Term] id: ECTO:9000551 name: exposure to pyridine def: "An exposure to pyridine." [] synonym: "exposure to pyridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16227 ! has exposure stimulus pyridine relationship: RO:0002309 CHEBI:16227 ! has exposure stimulus pyridine [Term] id: ECTO:9000552 name: exposure to naphthalene def: "An exposure to naphthalene." [] synonym: "exposure to naphthalene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16482 ! has exposure stimulus naphthalene relationship: RO:0002309 CHEBI:16482 ! has exposure stimulus naphthalene [Term] id: ECTO:9000553 name: exposure to chlordecone def: "An exposure to chlordecone." [] synonym: "exposure to chlordecone" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16548 ! has exposure stimulus chlordecone relationship: RO:0002309 CHEBI:16548 ! has exposure stimulus chlordecone [Term] id: ECTO:9000554 name: exposure to DDE def: "An exposure to DDE." [] synonym: "exposure to DDE" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16598 ! has exposure stimulus DDE relationship: RO:0002309 CHEBI:16598 ! has exposure stimulus DDE [Term] id: ECTO:9000555 name: exposure to benzo[d]isothiazol-3-one def: "An exposure to benzo[d]isothiazol-3-one." [] synonym: "exposure to benzo[d]isothiazol-3-one" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:167099 ! has exposure stimulus benzo[d]isothiazol-3-one relationship: RO:0002309 CHEBI:167099 ! has exposure stimulus benzo[d]isothiazol-3-one [Term] id: ECTO:9000556 name: exposure to codeine def: "An exposure to codeine." [] synonym: "exposure to codeine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000200 ! exposure to isoquinoline alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16714 ! has exposure stimulus codeine relationship: RO:0002309 CHEBI:16714 ! has exposure stimulus codeine [Term] id: ECTO:9000557 name: exposure to mycophenolic acid def: "An exposure to mycophenolic acid." [] synonym: "exposure to mycophenolic acid" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:168396 ! has exposure stimulus mycophenolic acid relationship: RO:0002309 CHEBI:168396 ! has exposure stimulus mycophenolic acid [Term] id: ECTO:9000558 name: exposure to biphenyl-2-ol def: "An exposure to biphenyl-2-ol." [] synonym: "exposure to biphenyl-2-ol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17043 ! has exposure stimulus biphenyl-2-ol relationship: RO:0002309 CHEBI:17043 ! has exposure stimulus biphenyl-2-ol [Term] id: ECTO:9000559 name: exposure to 3,5-dibromo-4-hydroxybenzonitrile def: "An exposure to 3,5-dibromo-4-hydroxybenzonitrile." [] synonym: "exposure to 3,5-dibromo-4-hydroxybenzonitrile" EXACT [] is_a: ECTO:9001353 ! exposure to phenols is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17192 ! has exposure stimulus 3,5-dibromo-4-hydroxybenzonitrile relationship: RO:0002309 CHEBI:17192 ! has exposure stimulus 3,5-dibromo-4-hydroxybenzonitrile [Term] id: ECTO:9000560 name: exposure to tylosin def: "An exposure to tylosin." [] synonym: "exposure to tylosin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17658 ! has exposure stimulus tylosin relationship: RO:0002309 CHEBI:17658 ! has exposure stimulus tylosin [Term] id: ECTO:9000561 name: exposure to propachlor def: "An exposure to propachlor." [] synonym: "exposure to propachlor" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:19503 ! has exposure stimulus propachlor relationship: RO:0002309 CHEBI:19503 ! has exposure stimulus propachlor [Term] id: ECTO:9000562 name: exposure to ametryn def: "An exposure to ametryn." [] synonym: "exposure to ametryn" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22472 ! has exposure stimulus ametryn relationship: RO:0002309 CHEBI:22472 ! has exposure stimulus ametryn [Term] id: ECTO:9000563 name: exposure to acetochlor def: "An exposure to acetochlor." [] synonym: "exposure to acetochlor" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2394 ! has exposure stimulus acetochlor relationship: RO:0002309 CHEBI:2394 ! has exposure stimulus acetochlor [Term] id: ECTO:9000564 name: exposure to alachlor def: "An exposure to alachlor." [] synonym: "exposure to alachlor" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2533 ! has exposure stimulus alachlor relationship: RO:0002309 CHEBI:2533 ! has exposure stimulus alachlor [Term] id: ECTO:9000565 name: exposure to albuterol def: "An exposure to albuterol." [] synonym: "exposure to albuterol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2549 ! has exposure stimulus albuterol relationship: RO:0002309 CHEBI:2549 ! has exposure stimulus albuterol [Term] id: ECTO:9000566 name: exposure to aldrin def: "An exposure to aldrin." [] synonym: "exposure to aldrin" EXACT [] is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2564 ! has exposure stimulus aldrin relationship: RO:0002309 CHEBI:2564 ! has exposure stimulus aldrin [Term] id: ECTO:9000567 name: exposure to prometryn def: "An exposure to prometryn." [] synonym: "exposure to prometryn" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26276 ! has exposure stimulus prometryn relationship: RO:0002309 CHEBI:26276 ! has exposure stimulus prometryn [Term] id: ECTO:9000568 name: exposure to amitraz def: "An exposure to amitraz." [] synonym: "exposure to amitraz" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2665 ! has exposure stimulus amitraz relationship: RO:0002309 CHEBI:2665 ! has exposure stimulus amitraz [Term] id: ECTO:9000569 name: exposure to amitriptyline def: "An exposure to amitriptyline." [] synonym: "exposure to amitriptyline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2666 ! has exposure stimulus amitriptyline relationship: RO:0002309 CHEBI:2666 ! has exposure stimulus amitriptyline [Term] id: ECTO:9000570 name: exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene def: "An exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene." [] synonym: "exposure to 1-chloro-2,2-bis(4'-chlorophenyl)ethylene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27454 ! has exposure stimulus 1-chloro-2,2-bis(4'-chlorophenyl)ethylene relationship: RO:0002309 CHEBI:27454 ! has exposure stimulus 1-chloro-2,2-bis(4'-chlorophenyl)ethylene [Term] id: ECTO:9000571 name: exposure to simazine def: "An exposure to simazine." [] synonym: "exposure to simazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27496 ! has exposure stimulus simazine relationship: RO:0002309 CHEBI:27496 ! has exposure stimulus simazine [Term] id: ECTO:9000572 name: exposure to 4-aminobenzenesulfonic acid def: "An exposure to 4-aminobenzenesulfonic acid." [] synonym: "exposure to 4-aminobenzenesulfonic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27500 ! has exposure stimulus 4-aminobenzenesulfonic acid relationship: RO:0002309 CHEBI:27500 ! has exposure stimulus 4-aminobenzenesulfonic acid [Term] id: ECTO:9000573 name: exposure to erythromycin B def: "An exposure to erythromycin B." [] synonym: "exposure to erythromycin B" EXACT [] is_a: ECTO:9000361 ! exposure to erythromycin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28196 ! has exposure stimulus erythromycin B relationship: RO:0002309 CHEBI:28196 ! has exposure stimulus erythromycin B [Term] id: ECTO:9000574 name: exposure to erythromycin E def: "An exposure to erythromycin E." [] synonym: "exposure to erythromycin E" EXACT [] is_a: ECTO:9000361 ! exposure to erythromycin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28239 ! has exposure stimulus erythromycin E relationship: RO:0002309 CHEBI:28239 ! has exposure stimulus erythromycin E [Term] id: ECTO:9000575 name: exposure to erythromycin D def: "An exposure to erythromycin D." [] synonym: "exposure to erythromycin D" EXACT [] is_a: ECTO:9000361 ! exposure to erythromycin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28331 ! has exposure stimulus erythromycin D relationship: RO:0002309 CHEBI:28331 ! has exposure stimulus erythromycin D [Term] id: ECTO:9000576 name: exposure to beta-hexachlorocyclohexane def: "An exposure to beta-hexachlorocyclohexane." [] synonym: "exposure to beta-hexachlorocyclohexane" EXACT [] is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28428 ! has exposure stimulus beta-hexachlorocyclohexane relationship: RO:0002309 CHEBI:28428 ! has exposure stimulus beta-hexachlorocyclohexane [Term] id: ECTO:9000577 name: exposure to reserpine def: "An exposure to reserpine." [] synonym: "exposure to reserpine" EXACT [] is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28487 ! has exposure stimulus reserpine relationship: RO:0002309 CHEBI:28487 ! has exposure stimulus reserpine [Term] id: ECTO:9000578 name: exposure to aspartame def: "An exposure to aspartame." [] synonym: "exposure to aspartame" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2877 ! has exposure stimulus aspartame relationship: RO:0002309 CHEBI:2877 ! has exposure stimulus aspartame [Term] id: ECTO:9000579 name: exposure to phenanthrene def: "An exposure to phenanthrene." [] synonym: "exposure to phenanthrene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28851 ! has exposure stimulus phenanthrene relationship: RO:0002309 CHEBI:28851 ! has exposure stimulus phenanthrene [Term] id: ECTO:9000580 name: exposure to 2,4-D def: "An exposure to 2,4-D." [] synonym: "exposure to 2,4-D" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28854 ! has exposure stimulus 2,4-D relationship: RO:0002309 CHEBI:28854 ! has exposure stimulus 2,4-D [Term] id: ECTO:9000581 name: exposure to atenolol def: "An exposure to atenolol." [] synonym: "exposure to atenolol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2904 ! has exposure stimulus atenolol relationship: RO:0002309 CHEBI:2904 ! has exposure stimulus atenolol [Term] id: ECTO:9000582 name: exposure to atorvastatin calcium trihydrate def: "An exposure to atorvastatin calcium trihydrate." [] synonym: "exposure to atorvastatin calcium trihydrate" EXACT [] is_a: ECTO:9000259 ! exposure to statin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2911 ! has exposure stimulus atorvastatin calcium trihydrate relationship: RO:0002309 CHEBI:2911 ! has exposure stimulus atorvastatin calcium trihydrate [Term] id: ECTO:9000583 name: exposure to azithromycin def: "An exposure to azithromycin." [] synonym: "exposure to azithromycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2955 ! has exposure stimulus azithromycin relationship: RO:0002309 CHEBI:2955 ! has exposure stimulus azithromycin [Term] id: ECTO:9000584 name: exposure to kresoxim-methyl def: "An exposure to kresoxim-methyl." [] synonym: "exposure to kresoxim-methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2962 ! has exposure stimulus kresoxim-methyl relationship: RO:0002309 CHEBI:2962 ! has exposure stimulus kresoxim-methyl [Term] id: ECTO:9000585 name: exposure to bentazone def: "An exposure to bentazone." [] synonym: "exposure to bentazone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3018 ! has exposure stimulus bentazone relationship: RO:0002309 CHEBI:3018 ! has exposure stimulus bentazone [Term] id: ECTO:9000586 name: exposure to terbutylazine def: "An exposure to terbutylazine." [] synonym: "exposure to terbutylazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30263 ! has exposure stimulus terbutylazine relationship: RO:0002309 CHEBI:30263 ! has exposure stimulus terbutylazine [Term] id: ECTO:9000587 name: exposure to simeton def: "An exposure to simeton." [] synonym: "exposure to simeton" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30264 ! has exposure stimulus simeton relationship: RO:0002309 CHEBI:30264 ! has exposure stimulus simeton [Term] id: ECTO:9000588 name: exposure to naphthalene-2,7-disulfonic acid def: "An exposure to naphthalene-2,7-disulfonic acid." [] synonym: "exposure to naphthalene-2,7-disulfonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30898 ! has exposure stimulus naphthalene-2,7-disulfonic acid relationship: RO:0002309 CHEBI:30898 ! has exposure stimulus naphthalene-2,7-disulfonic acid [Term] id: ECTO:9000589 name: exposure to bicalutamide def: "An exposure to bicalutamide." [] synonym: "exposure to bicalutamide" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3090 ! has exposure stimulus bicalutamide relationship: RO:0002309 CHEBI:3090 ! has exposure stimulus bicalutamide [Term] id: ECTO:9000590 name: exposure to antipyrine def: "An exposure to antipyrine." [] synonym: "exposure to antipyrine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31225 ! has exposure stimulus antipyrine relationship: RO:0002309 CHEBI:31225 ! has exposure stimulus antipyrine [Term] id: ECTO:9000591 name: exposure to esatenolol def: "An exposure to esatenolol." [] synonym: "exposure to esatenolol" EXACT [] is_a: ECTO:9000581 ! exposure to atenolol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31556 ! has exposure stimulus esatenolol relationship: RO:0002309 CHEBI:31556 ! has exposure stimulus esatenolol [Term] id: ECTO:9000592 name: exposure to iobitridol def: "An exposure to iobitridol." [] synonym: "exposure to iobitridol" EXACT [] is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31701 ! has exposure stimulus iobitridol relationship: RO:0002309 CHEBI:31701 ! has exposure stimulus iobitridol [Term] id: ECTO:9000593 name: exposure to iohexol def: "An exposure to iohexol." [] synonym: "exposure to iohexol" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31709 ! has exposure stimulus iohexol relationship: RO:0002309 CHEBI:31709 ! has exposure stimulus iohexol [Term] id: ECTO:9000594 name: exposure to iomeprol def: "An exposure to iomeprol." [] synonym: "exposure to iomeprol" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31710 ! has exposure stimulus iomeprol relationship: RO:0002309 CHEBI:31710 ! has exposure stimulus iomeprol [Term] id: ECTO:9000595 name: exposure to iopamidol def: "An exposure to iopamidol." [] synonym: "exposure to iopamidol" EXACT [] is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31711 ! has exposure stimulus iopamidol relationship: RO:0002309 CHEBI:31711 ! has exposure stimulus iopamidol [Term] id: ECTO:9000596 name: exposure to bromacil def: "An exposure to bromacil." [] synonym: "exposure to bromacil" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3177 ! has exposure stimulus bromacil relationship: RO:0002309 CHEBI:3177 ! has exposure stimulus bromacil [Term] id: ECTO:9000597 name: exposure to saccharin def: "An exposure to saccharin." [] synonym: "exposure to saccharin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32111 ! has exposure stimulus saccharin relationship: RO:0002309 CHEBI:32111 ! has exposure stimulus saccharin [Term] id: ECTO:9000598 name: exposure to sucralose def: "An exposure to sucralose." [] synonym: "exposure to sucralose" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32159 ! has exposure stimulus sucralose relationship: RO:0002309 CHEBI:32159 ! has exposure stimulus sucralose [Term] id: ECTO:9000599 name: exposure to sulfadimethoxine def: "An exposure to sulfadimethoxine." [] synonym: "exposure to sulfadimethoxine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32161 ! has exposure stimulus sulfadimethoxine relationship: RO:0002309 CHEBI:32161 ! has exposure stimulus sulfadimethoxine [Term] id: ECTO:9000600 name: exposure to bupropion def: "An exposure to bupropion." [] synonym: "exposure to bupropion" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3219 ! has exposure stimulus bupropion relationship: RO:0002309 CHEBI:3219 ! has exposure stimulus bupropion [Term] id: ECTO:9000601 name: exposure to gamma-hexachlorocyclohexane def: "An exposure to gamma-hexachlorocyclohexane." [] synonym: "exposure to gamma-hexachlorocyclohexane" EXACT [] is_a: ECTO:9000283 ! exposure to cyclodiene organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32888 ! has exposure stimulus gamma-hexachlorocyclohexane relationship: RO:0002309 CHEBI:32888 ! has exposure stimulus gamma-hexachlorocyclohexane [Term] id: ECTO:9000602 name: exposure to 2-nitrotoluene def: "An exposure to 2-nitrotoluene." [] synonym: "exposure to 2-nitrotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33098 ! has exposure stimulus 2-nitrotoluene relationship: RO:0002309 CHEBI:33098 ! has exposure stimulus 2-nitrotoluene [Term] id: ECTO:9000603 name: exposure to carbamazepine def: "An exposure to carbamazepine." [] synonym: "exposure to carbamazepine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3387 ! has exposure stimulus carbamazepine relationship: RO:0002309 CHEBI:3387 ! has exposure stimulus carbamazepine [Term] id: ECTO:9000604 name: exposure to carbetamide def: "An exposure to carbetamide." [] synonym: "exposure to carbetamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3394 ! has exposure stimulus carbetamide relationship: RO:0002309 CHEBI:3394 ! has exposure stimulus carbetamide [Term] id: ECTO:9000605 name: exposure to 1-nitronaphthalene def: "An exposure to 1-nitronaphthalene." [] synonym: "exposure to 1-nitronaphthalene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34104 ! has exposure stimulus 1-nitronaphthalene relationship: RO:0002309 CHEBI:34104 ! has exposure stimulus 1-nitronaphthalene [Term] id: ECTO:9000606 name: exposure to 2,2',3,3',5,5'-hexachlorobiphenyl def: "An exposure to 2,2',3,3',5,5'-hexachlorobiphenyl." [] synonym: "exposure to 2,2',3,3',5,5'-hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34197 ! has exposure stimulus 2,2',3,3',5,5'-hexachlorobiphenyl relationship: RO:0002309 CHEBI:34197 ! has exposure stimulus 2,2',3,3',5,5'-hexachlorobiphenyl [Term] id: ECTO:9000607 name: exposure to 2,2',3,3',6,6'-hexachlorobiphenyl def: "An exposure to 2,2',3,3',6,6'-hexachlorobiphenyl." [] synonym: "exposure to 2,2',3,3',6,6'-hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34199 ! has exposure stimulus 2,2',3,3',6,6'-hexachlorobiphenyl relationship: RO:0002309 CHEBI:34199 ! has exposure stimulus 2,2',3,3',6,6'-hexachlorobiphenyl [Term] id: ECTO:9000608 name: exposure to 2,2',4,4',5,5'-hexachlorobiphenyl def: "An exposure to 2,2',4,4',5,5'-hexachlorobiphenyl." [] synonym: "exposure to 2,2',4,4',5,5'-hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34202 ! has exposure stimulus 2,2',4,4',5,5'-hexachlorobiphenyl relationship: RO:0002309 CHEBI:34202 ! has exposure stimulus 2,2',4,4',5,5'-hexachlorobiphenyl [Term] id: ECTO:9000609 name: exposure to 2,2',4,4',6,6'-hexachlorobiphenyl def: "An exposure to 2,2',4,4',6,6'-hexachlorobiphenyl." [] synonym: "exposure to 2,2',4,4',6,6'-hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34203 ! has exposure stimulus 2,2',4,4',6,6'-hexachlorobiphenyl relationship: RO:0002309 CHEBI:34203 ! has exposure stimulus 2,2',4,4',6,6'-hexachlorobiphenyl [Term] id: ECTO:9000610 name: exposure to 2,2',4,4'-tetrachlorobiphenyl def: "An exposure to 2,2',4,4'-tetrachlorobiphenyl." [] synonym: "exposure to 2,2',4,4'-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34204 ! has exposure stimulus 2,2',4,4'-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34204 ! has exposure stimulus 2,2',4,4'-tetrachlorobiphenyl [Term] id: ECTO:9000611 name: exposure to 2,2',4,5-tetrachlorobiphenyl def: "An exposure to 2,2',4,5-tetrachlorobiphenyl." [] synonym: "exposure to 2,2',4,5-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34205 ! has exposure stimulus 2,2',4,5-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34205 ! has exposure stimulus 2,2',4,5-tetrachlorobiphenyl [Term] id: ECTO:9000612 name: exposure to 2,2',5,5'-tetrachlorobiphenyl def: "An exposure to 2,2',5,5'-tetrachlorobiphenyl." [] synonym: "exposure to 2,2',5,5'-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34206 ! has exposure stimulus 2,2',5,5'-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34206 ! has exposure stimulus 2,2',5,5'-tetrachlorobiphenyl [Term] id: ECTO:9000613 name: exposure to 2,3',5-trichlorobiphenyl def: "An exposure to 2,3',5-trichlorobiphenyl." [] synonym: "exposure to 2,3',5-trichlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000652 ! exposure to trichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34215 ! has exposure stimulus 2,3',5-trichlorobiphenyl relationship: RO:0002309 CHEBI:34215 ! has exposure stimulus 2,3',5-trichlorobiphenyl [Term] id: ECTO:9000614 name: exposure to 2,3,3',4,5-pentachlorobiphenyl def: "An exposure to 2,3,3',4,5-pentachlorobiphenyl." [] synonym: "exposure to 2,3,3',4,5-pentachlorobiphenyl" EXACT [] is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34216 ! has exposure stimulus 2,3,3',4,5-pentachlorobiphenyl relationship: RO:0002309 CHEBI:34216 ! has exposure stimulus 2,3,3',4,5-pentachlorobiphenyl [Term] id: ECTO:9000615 name: exposure to 2,3,4,4'-tetrachlorobiphenyl def: "An exposure to 2,3,4,4'-tetrachlorobiphenyl." [] synonym: "exposure to 2,3,4,4'-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34218 ! has exposure stimulus 2,3,4,4'-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34218 ! has exposure stimulus 2,3,4,4'-tetrachlorobiphenyl [Term] id: ECTO:9000616 name: exposure to 2,3,4,5,6-pentachlorobiphenyl def: "An exposure to 2,3,4,5,6-pentachlorobiphenyl." [] synonym: "exposure to 2,3,4,5,6-pentachlorobiphenyl" EXACT [] is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34219 ! has exposure stimulus 2,3,4,5,6-pentachlorobiphenyl relationship: RO:0002309 CHEBI:34219 ! has exposure stimulus 2,3,4,5,6-pentachlorobiphenyl [Term] id: ECTO:9000617 name: exposure to 2,3,4,5-tetrachlorobiphenyl def: "An exposure to 2,3,4,5-tetrachlorobiphenyl." [] synonym: "exposure to 2,3,4,5-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34221 ! has exposure stimulus 2,3,4,5-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34221 ! has exposure stimulus 2,3,4,5-tetrachlorobiphenyl [Term] id: ECTO:9000618 name: exposure to 2,3,4-trichlorobiphenyl def: "An exposure to 2,3,4-trichlorobiphenyl." [] synonym: "exposure to 2,3,4-trichlorobiphenyl" EXACT [] is_a: ECTO:9000652 ! exposure to trichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34222 ! has exposure stimulus 2,3,4-trichlorobiphenyl relationship: RO:0002309 CHEBI:34222 ! has exposure stimulus 2,3,4-trichlorobiphenyl [Term] id: ECTO:9000619 name: exposure to 2,3,5,6-tetrachlorobiphenyl def: "An exposure to 2,3,5,6-tetrachlorobiphenyl." [] synonym: "exposure to 2,3,5,6-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34224 ! has exposure stimulus 2,3,5,6-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34224 ! has exposure stimulus 2,3,5,6-tetrachlorobiphenyl [Term] id: ECTO:9000620 name: exposure to 2,3,6-trichlorobiphenyl def: "An exposure to 2,3,6-trichlorobiphenyl." [] synonym: "exposure to 2,3,6-trichlorobiphenyl" EXACT [] is_a: ECTO:9000652 ! exposure to trichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34225 ! has exposure stimulus 2,3,6-trichlorobiphenyl relationship: RO:0002309 CHEBI:34225 ! has exposure stimulus 2,3,6-trichlorobiphenyl [Term] id: ECTO:9000621 name: exposure to 2,4'-dichlorobiphenyl def: "An exposure to 2,4'-dichlorobiphenyl." [] synonym: "exposure to 2,4'-dichlorobiphenyl" EXACT [] is_a: ECTO:9000651 ! exposure to dichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34232 ! has exposure stimulus 2,4'-dichlorobiphenyl relationship: RO:0002309 CHEBI:34232 ! has exposure stimulus 2,4'-dichlorobiphenyl [Term] id: ECTO:9000622 name: exposure to 2,4,4',6-tetrachlorobiphenyl def: "An exposure to 2,4,4',6-tetrachlorobiphenyl." [] synonym: "exposure to 2,4,4',6-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34233 ! has exposure stimulus 2,4,4',6-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:34233 ! has exposure stimulus 2,4,4',6-tetrachlorobiphenyl [Term] id: ECTO:9000623 name: exposure to 2,5-dichlorobiphenyl def: "An exposure to 2,5-dichlorobiphenyl." [] synonym: "exposure to 2,5-dichlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000651 ! exposure to dichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34246 ! has exposure stimulus 2,5-dichlorobiphenyl relationship: RO:0002309 CHEBI:34246 ! has exposure stimulus 2,5-dichlorobiphenyl [Term] id: ECTO:9000624 name: exposure to 2,6-dichlorobiphenyl def: "An exposure to 2,6-dichlorobiphenyl." [] synonym: "exposure to 2,6-dichlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000651 ! exposure to dichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34249 ! has exposure stimulus 2,6-dichlorobiphenyl relationship: RO:0002309 CHEBI:34249 ! has exposure stimulus 2,6-dichlorobiphenyl [Term] id: ECTO:9000625 name: exposure to 2,6-dimethylnaphthalene def: "An exposure to 2,6-dimethylnaphthalene." [] synonym: "exposure to 2,6-dimethylnaphthalene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34251 ! has exposure stimulus 2,6-dimethylnaphthalene relationship: RO:0002309 CHEBI:34251 ! has exposure stimulus 2,6-dimethylnaphthalene [Term] id: ECTO:9000626 name: exposure to oxybenzone def: "An exposure to oxybenzone." [] synonym: "exposure to oxybenzone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34283 ! has exposure stimulus oxybenzone relationship: RO:0002309 CHEBI:34283 ! has exposure stimulus oxybenzone [Term] id: ECTO:9000627 name: exposure to fenobucarb def: "An exposure to fenobucarb." [] synonym: "exposure to fenobucarb" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34304 ! has exposure stimulus fenobucarb relationship: RO:0002309 CHEBI:34304 ! has exposure stimulus fenobucarb [Term] id: ECTO:9000628 name: exposure to 3,5-dichlorobiphenyl def: "An exposure to 3,5-dichlorobiphenyl." [] synonym: "exposure to 3,5-dichlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000651 ! exposure to dichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34326 ! has exposure stimulus 3,5-dichlorobiphenyl relationship: RO:0002309 CHEBI:34326 ! has exposure stimulus 3,5-dichlorobiphenyl [Term] id: ECTO:9000629 name: exposure to 4,4'-dichlorobiphenyl def: "An exposure to 4,4'-dichlorobiphenyl." [] synonym: "exposure to 4,4'-dichlorobiphenyl" EXACT [] is_a: ECTO:9000651 ! exposure to dichlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34364 ! has exposure stimulus 4,4'-dichlorobiphenyl relationship: RO:0002309 CHEBI:34364 ! has exposure stimulus 4,4'-dichlorobiphenyl [Term] id: ECTO:9000630 name: exposure to 4-nonylphenol def: "An exposure to 4-nonylphenol." [] synonym: "exposure to 4-nonylphenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34440 ! has exposure stimulus 4-nonylphenol relationship: RO:0002309 CHEBI:34440 ! has exposure stimulus 4-nonylphenol [Term] id: ECTO:9000631 name: exposure to bromodichloromethane def: "An exposure to bromodichloromethane." [] synonym: "exposure to bromodichloromethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34591 ! has exposure stimulus bromodichloromethane relationship: RO:0002309 CHEBI:34591 ! has exposure stimulus bromodichloromethane [Term] id: ECTO:9000632 name: exposure to chlordane def: "An exposure to chlordane." [] synonym: "exposure to chlordane" EXACT [] is_a: ECTO:9000283 ! exposure to cyclodiene organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34623 ! has exposure stimulus chlordane relationship: RO:0002309 CHEBI:34623 ! has exposure stimulus chlordane [Term] id: ECTO:9000633 name: exposure to chlorpyrifos def: "An exposure to chlorpyrifos." [] synonym: "exposure to chlorpyrifos" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34631 ! has exposure stimulus chlorpyrifos relationship: RO:0002309 CHEBI:34631 ! has exposure stimulus chlorpyrifos [Term] id: ECTO:9000634 name: exposure to chlorpyrifos-methyl def: "An exposure to chlorpyrifos-methyl." [] synonym: "exposure to chlorpyrifos-methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34632 ! has exposure stimulus chlorpyrifos-methyl relationship: RO:0002309 CHEBI:34632 ! has exposure stimulus chlorpyrifos-methyl [Term] id: ECTO:9000635 name: exposure to decachlorobiphenyl def: "An exposure to decachlorobiphenyl." [] synonym: "exposure to decachlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34666 ! has exposure stimulus decachlorobiphenyl relationship: RO:0002309 CHEBI:34666 ! has exposure stimulus decachlorobiphenyl [Term] id: ECTO:9000636 name: exposure to diazinon def: "An exposure to diazinon." [] synonym: "exposure to diazinon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34682 ! has exposure stimulus diazinon relationship: RO:0002309 CHEBI:34682 ! has exposure stimulus diazinon [Term] id: ECTO:9000637 name: exposure to dibutyl phthalate def: "An exposure to dibutyl phthalate." [] synonym: "exposure to dibutyl phthalate" EXACT [] is_a: ECTO:9000906 ! exposure to phthalate ester intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34687 ! has exposure stimulus dibutyl phthalate relationship: RO:0002309 CHEBI:34687 ! has exposure stimulus dibutyl phthalate [Term] id: ECTO:9000638 name: exposure to dimethoate def: "An exposure to dimethoate." [] synonym: "exposure to dimethoate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34714 ! has exposure stimulus dimethoate relationship: RO:0002309 CHEBI:34714 ! has exposure stimulus dimethoate [Term] id: ECTO:9000639 name: exposure to dinoseb def: "An exposure to dinoseb." [] synonym: "exposure to dinoseb" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34719 ! has exposure stimulus dinoseb relationship: RO:0002309 CHEBI:34719 ! has exposure stimulus dinoseb [Term] id: ECTO:9000640 name: exposure to heptachlor def: "An exposure to heptachlor." [] synonym: "exposure to heptachlor" EXACT [] is_a: ECTO:9000283 ! exposure to cyclodiene organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34785 ! has exposure stimulus heptachlor relationship: RO:0002309 CHEBI:34785 ! has exposure stimulus heptachlor [Term] id: ECTO:9000641 name: exposure to metribuzin def: "An exposure to metribuzin." [] synonym: "exposure to metribuzin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34846 ! has exposure stimulus metribuzin relationship: RO:0002309 CHEBI:34846 ! has exposure stimulus metribuzin [Term] id: ECTO:9000642 name: exposure to mirex def: "An exposure to mirex." [] synonym: "exposure to mirex" EXACT [] is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34852 ! has exposure stimulus mirex relationship: RO:0002309 CHEBI:34852 ! has exposure stimulus mirex [Term] id: ECTO:9000643 name: exposure to prometon def: "An exposure to prometon." [] synonym: "exposure to prometon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34934 ! has exposure stimulus prometon relationship: RO:0002309 CHEBI:34934 ! has exposure stimulus prometon [Term] id: ECTO:9000644 name: exposure to trifluralin def: "An exposure to trifluralin." [] synonym: "exposure to trifluralin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35027 ! has exposure stimulus trifluralin relationship: RO:0002309 CHEBI:35027 ! has exposure stimulus trifluralin [Term] id: ECTO:9000645 name: exposure to tris(2-butoxyethyl) phosphate def: "An exposure to tris(2-butoxyethyl) phosphate." [] synonym: "exposure to tris(2-butoxyethyl) phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35038 ! has exposure stimulus tris(2-butoxyethyl) phosphate relationship: RO:0002309 CHEBI:35038 ! has exposure stimulus tris(2-butoxyethyl) phosphate [Term] id: ECTO:9000646 name: exposure to 3,3',5,5'-tetrachlorobiphenyl def: "An exposure to 3,3',5,5'-tetrachlorobiphenyl." [] synonym: "exposure to 3,3',5,5'-tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35445 ! has exposure stimulus 3,3',5,5'-tetrachlorobiphenyl relationship: RO:0002309 CHEBI:35445 ! has exposure stimulus 3,3',5,5'-tetrachlorobiphenyl [Term] id: ECTO:9000647 name: exposure to perfluorodecanoic acid def: "An exposure to perfluorodecanoic acid." [] synonym: "exposure to perfluorodecanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35546 ! has exposure stimulus perfluorodecanoic acid relationship: RO:0002309 CHEBI:35546 ! has exposure stimulus perfluorodecanoic acid [Term] id: ECTO:9000648 name: exposure to perfluoroheptanoic acid def: "An exposure to perfluoroheptanoic acid." [] synonym: "exposure to perfluoroheptanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35547 ! has exposure stimulus perfluoroheptanoic acid relationship: RO:0002309 CHEBI:35547 ! has exposure stimulus perfluoroheptanoic acid [Term] id: ECTO:9000649 name: obsolete perfluorooctanoic acid exposure is_obsolete: true replaced_by: ECTO:9000095 [Term] id: ECTO:9000650 name: exposure to cetirizine def: "An exposure to cetirizine." [] synonym: "exposure to cetirizine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3561 ! has exposure stimulus cetirizine relationship: RO:0002309 CHEBI:3561 ! has exposure stimulus cetirizine [Term] id: ECTO:9000651 name: exposure to dichlorobiphenyl def: "An exposure to dichlorobiphenyl." [] synonym: "exposure to dichlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36718 ! has exposure stimulus dichlorobiphenyl relationship: RO:0002309 CHEBI:36718 ! has exposure stimulus dichlorobiphenyl [Term] id: ECTO:9000652 name: exposure to trichlorobiphenyl def: "An exposure to trichlorobiphenyl." [] synonym: "exposure to trichlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36719 ! has exposure stimulus trichlorobiphenyl relationship: RO:0002309 CHEBI:36719 ! has exposure stimulus trichlorobiphenyl [Term] id: ECTO:9000653 name: exposure to tetrachlorobiphenyl def: "An exposure to tetrachlorobiphenyl." [] synonym: "exposure to tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36720 ! has exposure stimulus tetrachlorobiphenyl relationship: RO:0002309 CHEBI:36720 ! has exposure stimulus tetrachlorobiphenyl [Term] id: ECTO:9000654 name: exposure to pentachlorobiphenyl def: "An exposure to pentachlorobiphenyl." [] synonym: "exposure to pentachlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36721 ! has exposure stimulus pentachlorobiphenyl relationship: RO:0002309 CHEBI:36721 ! has exposure stimulus pentachlorobiphenyl [Term] id: ECTO:9000655 name: exposure to hexachlorobiphenyl def: "An exposure to hexachlorobiphenyl." [] synonym: "exposure to hexachlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36722 ! has exposure stimulus hexachlorobiphenyl relationship: RO:0002309 CHEBI:36722 ! has exposure stimulus hexachlorobiphenyl [Term] id: ECTO:9000656 name: exposure to (S)-bupropion def: "An exposure to (S)-bupropion." [] synonym: "exposure to (S)-bupropion" EXACT [] is_a: ECTO:9000600 ! exposure to bupropion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36793 ! has exposure stimulus (S)-bupropion relationship: RO:0002309 CHEBI:36793 ! has exposure stimulus (S)-bupropion [Term] id: ECTO:9000657 name: exposure to (R)-bupropion def: "An exposure to (R)-bupropion." [] synonym: "exposure to (R)-bupropion" EXACT [] is_a: ECTO:9000600 ! exposure to bupropion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36794 ! has exposure stimulus (R)-bupropion relationship: RO:0002309 CHEBI:36794 ! has exposure stimulus (R)-bupropion [Term] id: ECTO:9000658 name: exposure to (trifluoromethyl)benzene def: "An exposure to (trifluoromethyl)benzene." [] synonym: "exposure to (trifluoromethyl)benzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36810 ! has exposure stimulus (trifluoromethyl)benzene relationship: RO:0002309 CHEBI:36810 ! has exposure stimulus (trifluoromethyl)benzene [Term] id: ECTO:9000659 name: exposure to cilastatin def: "An exposure to cilastatin." [] synonym: "exposure to cilastatin" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3697 ! has exposure stimulus cilastatin relationship: RO:0002309 CHEBI:3697 ! has exposure stimulus cilastatin [Term] id: ECTO:9000660 name: exposure to citalopram def: "An exposure to citalopram." [] synonym: "exposure to citalopram" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3723 ! has exposure stimulus citalopram relationship: RO:0002309 CHEBI:3723 ! has exposure stimulus citalopram [Term] id: ECTO:9000661 name: exposure to clarithromycin def: "An exposure to clarithromycin." [] synonym: "exposure to clarithromycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3732 ! has exposure stimulus clarithromycin relationship: RO:0002309 CHEBI:3732 ! has exposure stimulus clarithromycin [Term] id: ECTO:9000662 name: exposure to clindamycin def: "An exposure to clindamycin." [] synonym: "exposure to clindamycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3745 ! has exposure stimulus clindamycin relationship: RO:0002309 CHEBI:3745 ! has exposure stimulus clindamycin [Term] id: ECTO:9000663 name: exposure to clomazone def: "An exposure to clomazone." [] synonym: "exposure to clomazone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3751 ! has exposure stimulus clomazone relationship: RO:0002309 CHEBI:3751 ! has exposure stimulus clomazone [Term] id: ECTO:9000664 name: exposure to clotrimazole def: "An exposure to clotrimazole." [] synonym: "exposure to clotrimazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3764 ! has exposure stimulus clotrimazole relationship: RO:0002309 CHEBI:3764 ! has exposure stimulus clotrimazole [Term] id: ECTO:9000665 name: exposure to propazine def: "An exposure to propazine." [] synonym: "exposure to propazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38067 ! has exposure stimulus propazine relationship: RO:0002309 CHEBI:38067 ! has exposure stimulus propazine [Term] id: ECTO:9000666 name: exposure to cyanazine def: "An exposure to cyanazine." [] synonym: "exposure to cyanazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38069 ! has exposure stimulus cyanazine relationship: RO:0002309 CHEBI:38069 ! has exposure stimulus cyanazine [Term] id: ECTO:9000667 name: exposure to monuron def: "An exposure to monuron." [] synonym: "exposure to monuron" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38214 ! has exposure stimulus monuron relationship: RO:0002309 CHEBI:38214 ! has exposure stimulus monuron [Term] id: ECTO:9000668 name: exposure to mesotrione def: "An exposure to mesotrione." [] synonym: "exposure to mesotrione" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38321 ! has exposure stimulus mesotrione relationship: RO:0002309 CHEBI:38321 ! has exposure stimulus mesotrione [Term] id: ECTO:9000669 name: exposure to perfluorononanoic acid def: "An exposure to perfluorononanoic acid." [] synonym: "exposure to perfluorononanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38397 ! has exposure stimulus perfluorononanoic acid relationship: RO:0002309 CHEBI:38397 ! has exposure stimulus perfluorononanoic acid [Term] id: ECTO:9000670 name: exposure to methoxyfenozide def: "An exposure to methoxyfenozide." [] synonym: "exposure to methoxyfenozide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38449 ! has exposure stimulus methoxyfenozide relationship: RO:0002309 CHEBI:38449 ! has exposure stimulus methoxyfenozide [Term] id: ECTO:9000671 name: exposure to tebufenozide def: "An exposure to tebufenozide." [] synonym: "exposure to tebufenozide" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38452 ! has exposure stimulus tebufenozide relationship: RO:0002309 CHEBI:38452 ! has exposure stimulus tebufenozide [Term] id: ECTO:9000672 name: exposure to methiocarb def: "An exposure to methiocarb." [] synonym: "exposure to methiocarb" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38508 ! has exposure stimulus methiocarb relationship: RO:0002309 CHEBI:38508 ! has exposure stimulus methiocarb [Term] id: ECTO:9000673 name: exposure to rosuvastatin def: "An exposure to rosuvastatin." [] synonym: "exposure to rosuvastatin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000259 ! exposure to statin is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38545 ! has exposure stimulus rosuvastatin relationship: RO:0002309 CHEBI:38545 ! has exposure stimulus rosuvastatin [Term] id: ECTO:9000674 name: exposure to ethion def: "An exposure to ethion." [] synonym: "exposure to ethion" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38663 ! has exposure stimulus ethion relationship: RO:0002309 CHEBI:38663 ! has exposure stimulus ethion [Term] id: ECTO:9000675 name: exposure to parathion-methyl def: "An exposure to parathion-methyl." [] synonym: "exposure to parathion-methyl" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38746 ! has exposure stimulus parathion-methyl relationship: RO:0002309 CHEBI:38746 ! has exposure stimulus parathion-methyl [Term] id: ECTO:9000676 name: exposure to pirimiphos-methyl def: "An exposure to pirimiphos-methyl." [] synonym: "exposure to pirimiphos-methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38843 ! has exposure stimulus pirimiphos-methyl relationship: RO:0002309 CHEBI:38843 ! has exposure stimulus pirimiphos-methyl [Term] id: ECTO:9000677 name: exposure to cis-chlordane def: "An exposure to cis-chlordane." [] synonym: "exposure to cis-chlordane" EXACT [] is_a: ECTO:9000632 ! exposure to chlordane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39068 ! has exposure stimulus cis-chlordane relationship: RO:0002309 CHEBI:39068 ! has exposure stimulus cis-chlordane [Term] id: ECTO:9000678 name: exposure to trans-chlordane def: "An exposure to trans-chlordane." [] synonym: "exposure to trans-chlordane" EXACT [] is_a: ECTO:9000632 ! exposure to chlordane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39069 ! has exposure stimulus trans-chlordane relationship: RO:0002309 CHEBI:39069 ! has exposure stimulus trans-chlordane [Term] id: ECTO:9000679 name: exposure to alpha-hexachlorocyclohexane def: "An exposure to alpha-hexachlorocyclohexane." [] synonym: "exposure to alpha-hexachlorocyclohexane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39096 ! has exposure stimulus alpha-hexachlorocyclohexane relationship: RO:0002309 CHEBI:39096 ! has exposure stimulus alpha-hexachlorocyclohexane [Term] id: ECTO:9000680 name: exposure to acetamiprid def: "An exposure to acetamiprid." [] synonym: "exposure to acetamiprid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39163 ! has exposure stimulus acetamiprid relationship: RO:0002309 CHEBI:39163 ! has exposure stimulus acetamiprid [Term] id: ECTO:9000681 name: exposure to (E)-acetamiprid def: "An exposure to (E)-acetamiprid." [] synonym: "exposure to (E)-acetamiprid" EXACT [] is_a: ECTO:9000680 ! exposure to acetamiprid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39164 ! has exposure stimulus (E)-acetamiprid relationship: RO:0002309 CHEBI:39164 ! has exposure stimulus (E)-acetamiprid [Term] id: ECTO:9000682 name: exposure to (Z)-acetamiprid def: "An exposure to (Z)-acetamiprid." [] synonym: "exposure to (Z)-acetamiprid" EXACT [] is_a: ECTO:9000680 ! exposure to acetamiprid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39165 ! has exposure stimulus (Z)-acetamiprid relationship: RO:0002309 CHEBI:39165 ! has exposure stimulus (Z)-acetamiprid [Term] id: ECTO:9000683 name: exposure to (E)-imidacloprid def: "An exposure to (E)-imidacloprid." [] synonym: "exposure to (E)-imidacloprid" EXACT [] is_a: ECTO:9000415 ! exposure to imidacloprid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39168 ! has exposure stimulus (E)-imidacloprid relationship: RO:0002309 CHEBI:39168 ! has exposure stimulus (E)-imidacloprid [Term] id: ECTO:9000684 name: exposure to (Z)-imidacloprid def: "An exposure to (Z)-imidacloprid." [] synonym: "exposure to (Z)-imidacloprid" EXACT [] is_a: ECTO:9000415 ! exposure to imidacloprid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39169 ! has exposure stimulus (Z)-imidacloprid relationship: RO:0002309 CHEBI:39169 ! has exposure stimulus (Z)-imidacloprid [Term] id: ECTO:9000685 name: exposure to thiacloprid def: "An exposure to thiacloprid." [] synonym: "exposure to thiacloprid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39175 ! has exposure stimulus thiacloprid relationship: RO:0002309 CHEBI:39175 ! has exposure stimulus thiacloprid [Term] id: ECTO:9000686 name: exposure to (Z)-thiacloprid def: "An exposure to (Z)-thiacloprid." [] synonym: "exposure to (Z)-thiacloprid" EXACT [] is_a: ECTO:9000685 ! exposure to thiacloprid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39176 ! has exposure stimulus (Z)-thiacloprid relationship: RO:0002309 CHEBI:39176 ! has exposure stimulus (Z)-thiacloprid [Term] id: ECTO:9000687 name: exposure to (E)-clothianidin def: "An exposure to (E)-clothianidin." [] synonym: "exposure to (E)-clothianidin" EXACT [] is_a: ECTO:9000688 ! exposure to clothianidin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39177 ! has exposure stimulus (E)-clothianidin relationship: RO:0002309 CHEBI:39177 ! has exposure stimulus (E)-clothianidin [Term] id: ECTO:9000688 name: exposure to clothianidin def: "An exposure to clothianidin." [] synonym: "exposure to clothianidin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39178 ! has exposure stimulus clothianidin relationship: RO:0002309 CHEBI:39178 ! has exposure stimulus clothianidin [Term] id: ECTO:9000689 name: exposure to thiamethoxam def: "An exposure to thiamethoxam." [] synonym: "exposure to thiamethoxam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39185 ! has exposure stimulus thiamethoxam relationship: RO:0002309 CHEBI:39185 ! has exposure stimulus thiamethoxam [Term] id: ECTO:9000690 name: exposure to (E)-thiamethoxam def: "An exposure to (E)-thiamethoxam." [] synonym: "exposure to (E)-thiamethoxam" EXACT [] is_a: ECTO:9000689 ! exposure to thiamethoxam intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39186 ! has exposure stimulus (E)-thiamethoxam relationship: RO:0002309 CHEBI:39186 ! has exposure stimulus (E)-thiamethoxam [Term] id: ECTO:9000691 name: exposure to flonicamid def: "An exposure to flonicamid." [] synonym: "exposure to flonicamid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39291 ! has exposure stimulus flonicamid relationship: RO:0002309 CHEBI:39291 ! has exposure stimulus flonicamid [Term] id: ECTO:9000692 name: exposure to pymetrozine def: "An exposure to pymetrozine." [] synonym: "exposure to pymetrozine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39311 ! has exposure stimulus pymetrozine relationship: RO:0002309 CHEBI:39311 ! has exposure stimulus pymetrozine [Term] id: ECTO:9000693 name: exposure to teflubenzuron def: "An exposure to teflubenzuron." [] synonym: "exposure to teflubenzuron" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39387 ! has exposure stimulus teflubenzuron relationship: RO:0002309 CHEBI:39387 ! has exposure stimulus teflubenzuron [Term] id: ECTO:9000695 name: exposure to perfluorobutyric acid def: "An exposure to perfluorobutyric acid." [] synonym: "exposure to perfluorobutyric acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39426 ! has exposure stimulus perfluorobutyric acid relationship: RO:0002309 CHEBI:39426 ! has exposure stimulus perfluorobutyric acid [Term] id: ECTO:9000696 name: exposure to atorvastatin def: "An exposure to atorvastatin." [] synonym: "exposure to atorvastatin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000259 ! exposure to statin is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39548 ! has exposure stimulus atorvastatin relationship: RO:0002309 CHEBI:39548 ! has exposure stimulus atorvastatin [Term] id: ECTO:9000697 name: exposure to metsulfuron methyl def: "An exposure to metsulfuron methyl." [] synonym: "exposure to metsulfuron methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39678 ! has exposure stimulus metsulfuron methyl relationship: RO:0002309 CHEBI:39678 ! has exposure stimulus metsulfuron methyl [Term] id: ECTO:9000698 name: exposure to sitagliptin def: "An exposure to sitagliptin." [] synonym: "exposure to sitagliptin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:40237 ! has exposure stimulus sitagliptin relationship: RO:0002309 CHEBI:40237 ! has exposure stimulus sitagliptin [Term] id: ECTO:9000699 name: exposure to cyprodinil def: "An exposure to cyprodinil." [] synonym: "exposure to cyprodinil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4045 ! has exposure stimulus cyprodinil relationship: RO:0002309 CHEBI:4045 ! has exposure stimulus cyprodinil [Term] id: ECTO:9000700 name: exposure to azoxystrobin def: "An exposure to azoxystrobin." [] synonym: "exposure to azoxystrobin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:40909 ! has exposure stimulus azoxystrobin relationship: RO:0002309 CHEBI:40909 ! has exposure stimulus azoxystrobin [Term] id: ECTO:9000701 name: exposure to decylamine-N,N-dimethyl-N-oxide def: "An exposure to decylamine-N,N-dimethyl-N-oxide." [] synonym: "exposure to decylamine-N,N-dimethyl-N-oxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41899 ! has exposure stimulus decylamine-N,N-dimethyl-N-oxide relationship: RO:0002309 CHEBI:41899 ! has exposure stimulus decylamine-N,N-dimethyl-N-oxide [Term] id: ECTO:9000702 name: exposure to erythromycin A def: "An exposure to erythromycin A." [] synonym: "exposure to erythromycin A" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000361 ! exposure to erythromycin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:42355 ! has exposure stimulus erythromycin A relationship: RO:0002309 CHEBI:42355 ! has exposure stimulus erythromycin A [Term] id: ECTO:9000703 name: exposure to (R)-amphetamine def: "An exposure to (R)-amphetamine." [] synonym: "exposure to (R)-amphetamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:42724 ! has exposure stimulus (R)-amphetamine relationship: RO:0002309 CHEBI:42724 ! has exposure stimulus (R)-amphetamine [Term] id: ECTO:9000704 name: exposure to gabapentin def: "An exposure to gabapentin." [] synonym: "exposure to gabapentin" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:42797 ! has exposure stimulus gabapentin relationship: RO:0002309 CHEBI:42797 ! has exposure stimulus gabapentin [Term] id: ECTO:9000705 name: exposure to dexibuprofen def: "An exposure to dexibuprofen." [] synonym: "exposure to dexibuprofen" EXACT [] is_a: ECTO:9000743 ! exposure to ibuprofen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:43415 ! has exposure stimulus dexibuprofen relationship: RO:0002309 CHEBI:43415 ! has exposure stimulus dexibuprofen [Term] id: ECTO:9000706 name: exposure to terbutryn def: "An exposure to terbutryn." [] synonym: "exposure to terbutryn" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44156 ! has exposure stimulus terbutryn relationship: RO:0002309 CHEBI:44156 ! has exposure stimulus terbutryn [Term] id: ECTO:9000707 name: exposure to naphthalene-2-sulfonic acid def: "An exposure to naphthalene-2-sulfonic acid." [] synonym: "exposure to naphthalene-2-sulfonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44229 ! has exposure stimulus naphthalene-2-sulfonic acid relationship: RO:0002309 CHEBI:44229 ! has exposure stimulus naphthalene-2-sulfonic acid [Term] id: ECTO:9000708 name: exposure to (S)-amphetamine def: "An exposure to (S)-amphetamine." [] synonym: "exposure to (S)-amphetamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4469 ! has exposure stimulus (S)-amphetamine relationship: RO:0002309 CHEBI:4469 ! has exposure stimulus (S)-amphetamine [Term] id: ECTO:9000709 name: exposure to ritonavir def: "An exposure to ritonavir." [] synonym: "exposure to ritonavir" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45409 ! has exposure stimulus ritonavir relationship: RO:0002309 CHEBI:45409 ! has exposure stimulus ritonavir [Term] id: ECTO:9000710 name: exposure to trimethoprim def: "An exposure to trimethoprim." [] synonym: "exposure to trimethoprim" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45924 ! has exposure stimulus trimethoprim relationship: RO:0002309 CHEBI:45924 ! has exposure stimulus trimethoprim [Term] id: ECTO:9000711 name: exposure to benzothiazole def: "An exposure to benzothiazole." [] synonym: "exposure to benzothiazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45993 ! has exposure stimulus benzothiazole relationship: RO:0002309 CHEBI:45993 ! has exposure stimulus benzothiazole [Term] id: ECTO:9000712 name: exposure to fluconazole def: "An exposure to fluconazole." [] synonym: "exposure to fluconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46081 ! has exposure stimulus fluconazole relationship: RO:0002309 CHEBI:46081 ! has exposure stimulus fluconazole [Term] id: ECTO:9000713 name: exposure to diglyme def: "An exposure to diglyme." [] synonym: "exposure to diglyme" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46784 ! has exposure stimulus diglyme relationship: RO:0002309 CHEBI:46784 ! has exposure stimulus diglyme [Term] id: ECTO:9000714 name: exposure to pentachlorobenzene def: "An exposure to pentachlorobenzene." [] synonym: "exposure to pentachlorobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47136 ! has exposure stimulus pentachlorobenzene relationship: RO:0002309 CHEBI:47136 ! has exposure stimulus pentachlorobenzene [Term] id: ECTO:9000715 name: exposure to diclofenac def: "An exposure to diclofenac." [] synonym: "exposure to diclofenac" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47381 ! has exposure stimulus diclofenac relationship: RO:0002309 CHEBI:47381 ! has exposure stimulus diclofenac [Term] id: ECTO:9000716 name: exposure to furosemide def: "An exposure to furosemide." [] synonym: "exposure to furosemide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47426 ! has exposure stimulus furosemide relationship: RO:0002309 CHEBI:47426 ! has exposure stimulus furosemide [Term] id: ECTO:9000717 name: exposure to bezafibrate def: "An exposure to bezafibrate." [] synonym: "exposure to bezafibrate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47612 ! has exposure stimulus bezafibrate relationship: RO:0002309 CHEBI:47612 ! has exposure stimulus bezafibrate [Term] id: ECTO:9000718 name: exposure to 2,4,6-tribromophenol def: "An exposure to 2,4,6-tribromophenol." [] synonym: "exposure to 2,4,6-tribromophenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47696 ! has exposure stimulus 2,4,6-tribromophenol relationship: RO:0002309 CHEBI:47696 ! has exposure stimulus 2,4,6-tribromophenol [Term] id: ECTO:9000719 name: exposure to levibuprofen def: "An exposure to levibuprofen." [] synonym: "exposure to levibuprofen" EXACT [] is_a: ECTO:9000743 ! exposure to ibuprofen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47835 ! has exposure stimulus levibuprofen relationship: RO:0002309 CHEBI:47835 ! has exposure stimulus levibuprofen [Term] id: ECTO:9000720 name: exposure to endosulfan def: "An exposure to endosulfan." [] synonym: "exposure to endosulfan" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000283 ! exposure to cyclodiene organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4791 ! has exposure stimulus endosulfan relationship: RO:0002309 CHEBI:4791 ! has exposure stimulus endosulfan [Term] id: ECTO:9000721 name: exposure to epoxiconazole def: "An exposure to epoxiconazole." [] synonym: "exposure to epoxiconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4811 ! has exposure stimulus epoxiconazole relationship: RO:0002309 CHEBI:4811 ! has exposure stimulus epoxiconazole [Term] id: ECTO:9000722 name: exposure to eprosartan def: "An exposure to eprosartan." [] synonym: "exposure to eprosartan" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4814 ! has exposure stimulus eprosartan relationship: RO:0002309 CHEBI:4814 ! has exposure stimulus eprosartan [Term] id: ECTO:9000723 name: exposure to trichlorofluoromethane def: "An exposure to trichlorofluoromethane." [] synonym: "exposure to trichlorofluoromethane" EXACT [] is_a: ECTO:9001542 ! exposure to chlorofluorocarbon intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48236 ! has exposure stimulus trichlorofluoromethane relationship: RO:0002309 CHEBI:48236 ! has exposure stimulus trichlorofluoromethane [Term] id: ECTO:9000724 name: exposure to triclocarban def: "An exposure to triclocarban." [] synonym: "exposure to triclocarban" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48347 ! has exposure stimulus triclocarban relationship: RO:0002309 CHEBI:48347 ! has exposure stimulus triclocarban [Term] id: ECTO:9000725 name: exposure to ethambutol def: "An exposure to ethambutol." [] synonym: "exposure to ethambutol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4877 ! has exposure stimulus ethambutol relationship: RO:0002309 CHEBI:4877 ! has exposure stimulus ethambutol [Term] id: ECTO:9000726 name: exposure to (E)-roxithromycin def: "An exposure to (E)-roxithromycin." [] synonym: "exposure to (E)-roxithromycin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48935 ! has exposure stimulus (E)-roxithromycin relationship: RO:0002309 CHEBI:48935 ! has exposure stimulus (E)-roxithromycin [Term] id: ECTO:9000727 name: exposure to exemestane def: "An exposure to exemestane." [] synonym: "exposure to exemestane" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4953 ! has exposure stimulus exemestane relationship: RO:0002309 CHEBI:4953 ! has exposure stimulus exemestane [Term] id: ECTO:9000728 name: exposure to diazepam def: "An exposure to diazepam." [] synonym: "exposure to diazepam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49575 ! has exposure stimulus diazepam relationship: RO:0002309 CHEBI:49575 ! has exposure stimulus diazepam [Term] id: ECTO:9000729 name: exposure to indometacin def: "An exposure to indometacin." [] synonym: "exposure to indometacin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49662 ! has exposure stimulus indometacin relationship: RO:0002309 CHEBI:49662 ! has exposure stimulus indometacin [Term] id: ECTO:9000730 name: exposure to fenoxycarb def: "An exposure to fenoxycarb." [] synonym: "exposure to fenoxycarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5009 ! has exposure stimulus fenoxycarb relationship: RO:0002309 CHEBI:5009 ! has exposure stimulus fenoxycarb [Term] id: ECTO:9000731 name: exposure to (4-chloro-2-methylphenoxy)acetic acid def: "An exposure to (4-chloro-2-methylphenoxy)acetic acid." [] synonym: "exposure to (4-chloro-2-methylphenoxy)acetic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50099 ! has exposure stimulus (4-chloro-2-methylphenoxy)acetic acid relationship: RO:0002309 CHEBI:50099 ! has exposure stimulus (4-chloro-2-methylphenoxy)acetic acid [Term] id: ECTO:9000732 name: exposure to fenpropimorph def: "An exposure to fenpropimorph." [] synonym: "exposure to fenpropimorph" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50145 ! has exposure stimulus fenpropimorph relationship: RO:0002309 CHEBI:50145 ! has exposure stimulus fenpropimorph [Term] id: ECTO:9000733 name: exposure to fipronil def: "An exposure to fipronil." [] synonym: "exposure to fipronil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5063 ! has exposure stimulus fipronil relationship: RO:0002309 CHEBI:5063 ! has exposure stimulus fipronil [Term] id: ECTO:9000734 name: exposure to dronedarone def: "An exposure to dronedarone." [] synonym: "exposure to dronedarone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50659 ! has exposure stimulus dronedarone relationship: RO:0002309 CHEBI:50659 ! has exposure stimulus dronedarone [Term] id: ECTO:9000735 name: exposure to acamprosate def: "An exposure to acamprosate." [] synonym: "exposure to acamprosate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51041 ! has exposure stimulus acamprosate relationship: RO:0002309 CHEBI:51041 ! has exposure stimulus acamprosate [Term] id: ECTO:9000736 name: exposure to (RS)-amphetamine is_obsolete: true replaced_by: ECTO:9000154 [Term] id: ECTO:9000737 name: exposure to chloromethylisothiazolinone def: "An exposure to chloromethylisothiazolinone." [] synonym: "exposure to chloromethylisothiazolinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53621 ! has exposure stimulus chloromethylisothiazolinone relationship: RO:0002309 CHEBI:53621 ! has exposure stimulus chloromethylisothiazolinone [Term] id: ECTO:9000738 name: exposure to amidotrizoic acid def: "An exposure to amidotrizoic acid." [] synonym: "exposure to amidotrizoic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53691 ! has exposure stimulus amidotrizoic acid relationship: RO:0002309 CHEBI:53691 ! has exposure stimulus amidotrizoic acid [Term] id: ECTO:9000739 name: exposure to (R)-atenolol def: "An exposure to (R)-atenolol." [] synonym: "exposure to (R)-atenolol" EXACT [] is_a: ECTO:9000581 ! exposure to atenolol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:55352 ! has exposure stimulus (R)-atenolol relationship: RO:0002309 CHEBI:55352 ! has exposure stimulus (R)-atenolol [Term] id: ECTO:9000740 name: exposure to hexachlorobenzene def: "An exposure to hexachlorobenzene." [] synonym: "exposure to hexachlorobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5692 ! has exposure stimulus hexachlorobenzene relationship: RO:0002309 CHEBI:5692 ! has exposure stimulus hexachlorobenzene [Term] id: ECTO:9000741 name: exposure to hydrochlorothiazide def: "An exposure to hydrochlorothiazide." [] synonym: "exposure to hydrochlorothiazide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5778 ! has exposure stimulus hydrochlorothiazide relationship: RO:0002309 CHEBI:5778 ! has exposure stimulus hydrochlorothiazide [Term] id: ECTO:9000742 name: exposure to (R)-ketamine def: "An exposure to (R)-ketamine." [] synonym: "exposure to (R)-ketamine" EXACT [] is_a: ECTO:9000407 ! exposure to ketamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:580604 ! has exposure stimulus (R)-ketamine relationship: RO:0002309 CHEBI:580604 ! has exposure stimulus (R)-ketamine [Term] id: ECTO:9000743 name: exposure to ibuprofen def: "An exposure to ibuprofen." [] synonym: "exposure to ibuprofen" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5855 ! has exposure stimulus ibuprofen relationship: RO:0002309 CHEBI:5855 ! has exposure stimulus ibuprofen [Term] id: ECTO:9000744 name: exposure to ifosfamide def: "An exposure to ifosfamide." [] synonym: "exposure to ifosfamide" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5864 ! has exposure stimulus ifosfamide relationship: RO:0002309 CHEBI:5864 ! has exposure stimulus ifosfamide [Term] id: ECTO:9000745 name: exposure to mephedrone def: "An exposure to mephedrone." [] synonym: "exposure to mephedrone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59331 ! has exposure stimulus mephedrone relationship: RO:0002309 CHEBI:59331 ! has exposure stimulus mephedrone [Term] id: ECTO:9000746 name: exposure to irbesartan def: "An exposure to irbesartan." [] synonym: "exposure to irbesartan" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5959 ! has exposure stimulus irbesartan relationship: RO:0002309 CHEBI:5959 ! has exposure stimulus irbesartan [Term] id: ECTO:9000747 name: exposure to irgarol 1051 def: "An exposure to irgarol 1051." [] synonym: "exposure to irgarol 1051" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5962 ! has exposure stimulus irgarol 1051 relationship: RO:0002309 CHEBI:5962 ! has exposure stimulus irgarol 1051 [Term] id: ECTO:9000748 name: exposure to isoprothiolane def: "An exposure to isoprothiolane." [] synonym: "exposure to isoprothiolane" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6047 ! has exposure stimulus isoprothiolane relationship: RO:0002309 CHEBI:6047 ! has exposure stimulus isoprothiolane [Term] id: ECTO:9000749 name: exposure to isoproturon def: "An exposure to isoproturon." [] synonym: "exposure to isoproturon" EXACT [] is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6049 ! has exposure stimulus isoproturon relationship: RO:0002309 CHEBI:6049 ! has exposure stimulus isoproturon [Term] id: ECTO:9000750 name: exposure to esketamine def: "An exposure to esketamine." [] synonym: "exposure to esketamine" EXACT [] is_a: ECTO:9000407 ! exposure to ketamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60799 ! has exposure stimulus esketamine relationship: RO:0002309 CHEBI:60799 ! has exposure stimulus esketamine [Term] id: ECTO:9000751 name: exposure to ketoprofen def: "An exposure to ketoprofen." [] synonym: "exposure to ketoprofen" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6128 ! has exposure stimulus ketoprofen relationship: RO:0002309 CHEBI:6128 ! has exposure stimulus ketoprofen [Term] id: ECTO:9000752 name: exposure to iopromide def: "An exposure to iopromide." [] synonym: "exposure to iopromide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63578 ! has exposure stimulus iopromide relationship: RO:0002309 CHEBI:63578 ! has exposure stimulus iopromide [Term] id: ECTO:9000753 name: exposure to pravastatin def: "An exposure to pravastatin." [] synonym: "exposure to pravastatin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000259 ! exposure to statin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63618 ! has exposure stimulus pravastatin relationship: RO:0002309 CHEBI:63618 ! has exposure stimulus pravastatin [Term] id: ECTO:9000754 name: exposure to sotalol def: "An exposure to sotalol." [] synonym: "exposure to sotalol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63622 ! has exposure stimulus sotalol relationship: RO:0002309 CHEBI:63622 ! has exposure stimulus sotalol [Term] id: ECTO:9000755 name: exposure to lamotrigine def: "An exposure to lamotrigine." [] synonym: "exposure to lamotrigine" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6367 ! has exposure stimulus lamotrigine relationship: RO:0002309 CHEBI:6367 ! has exposure stimulus lamotrigine [Term] id: ECTO:9000756 name: exposure to amisulpride def: "An exposure to amisulpride." [] synonym: "exposure to amisulpride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64045 ! has exposure stimulus amisulpride relationship: RO:0002309 CHEBI:64045 ! has exposure stimulus amisulpride [Term] id: ECTO:9000757 name: exposure to lenacil def: "An exposure to lenacil." [] synonym: "exposure to lenacil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6407 ! has exposure stimulus lenacil relationship: RO:0002309 CHEBI:6407 ! has exposure stimulus lenacil [Term] id: ECTO:9000758 name: exposure to erythromycin C def: "An exposure to erythromycin C." [] synonym: "exposure to erythromycin C" EXACT [] is_a: ECTO:9000361 ! exposure to erythromycin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64273 ! has exposure stimulus erythromycin C relationship: RO:0002309 CHEBI:64273 ! has exposure stimulus erythromycin C [Term] id: ECTO:9000759 name: exposure to levamisole def: "An exposure to levamisole." [] synonym: "exposure to levamisole" EXACT [] is_a: ECTO:9000787 ! exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6432 ! has exposure stimulus levamisole relationship: RO:0002309 CHEBI:6432 ! has exposure stimulus levamisole [Term] id: ECTO:9000760 name: exposure to levetiracetam def: "An exposure to levetiracetam." [] synonym: "exposure to levetiracetam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6437 ! has exposure stimulus levetiracetam relationship: RO:0002309 CHEBI:6437 ! has exposure stimulus levetiracetam [Term] id: ECTO:9000761 name: exposure to lidocaine def: "An exposure to lidocaine." [] synonym: "exposure to lidocaine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6456 ! has exposure stimulus lidocaine relationship: RO:0002309 CHEBI:6456 ! has exposure stimulus lidocaine [Term] id: ECTO:9000762 name: exposure to linuron def: "An exposure to linuron." [] synonym: "exposure to linuron" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6482 ! has exposure stimulus linuron relationship: RO:0002309 CHEBI:6482 ! has exposure stimulus linuron [Term] id: ECTO:9000763 name: exposure to mefenamic acid def: "An exposure to mefenamic acid." [] synonym: "exposure to mefenamic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6717 ! has exposure stimulus mefenamic acid relationship: RO:0002309 CHEBI:6717 ! has exposure stimulus mefenamic acid [Term] id: ECTO:9000764 name: exposure to metalaxyl def: "An exposure to metalaxyl." [] synonym: "exposure to metalaxyl" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6790 ! has exposure stimulus metalaxyl relationship: RO:0002309 CHEBI:6790 ! has exposure stimulus metalaxyl [Term] id: ECTO:9000765 name: exposure to metamitron def: "An exposure to metamitron." [] synonym: "exposure to metamitron" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6791 ! has exposure stimulus metamitron relationship: RO:0002309 CHEBI:6791 ! has exposure stimulus metamitron [Term] id: ECTO:9000766 name: exposure to metazachlor def: "An exposure to metazachlor." [] synonym: "exposure to metazachlor" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6798 ! has exposure stimulus metazachlor relationship: RO:0002309 CHEBI:6798 ! has exposure stimulus metazachlor [Term] id: ECTO:9000767 name: exposure to metformin hydrochloride def: "An exposure to metformin hydrochloride." [] synonym: "exposure to metformin hydrochloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6802 ! has exposure stimulus metformin hydrochloride relationship: RO:0002309 CHEBI:6802 ! has exposure stimulus metformin hydrochloride [Term] id: ECTO:9000768 name: exposure to methadone def: "An exposure to methadone." [] synonym: "exposure to methadone" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6807 ! has exposure stimulus methadone relationship: RO:0002309 CHEBI:6807 ! has exposure stimulus methadone [Term] id: ECTO:9000769 name: exposure to methamphetamine def: "An exposure to methamphetamine." [] synonym: "exposure to methamphetamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6809 ! has exposure stimulus methamphetamine relationship: RO:0002309 CHEBI:6809 ! has exposure stimulus methamphetamine [Term] id: ECTO:9000770 name: exposure to methomyl def: "An exposure to methomyl." [] synonym: "exposure to methomyl" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6835 ! has exposure stimulus methomyl relationship: RO:0002309 CHEBI:6835 ! has exposure stimulus methomyl [Term] id: ECTO:9000771 name: exposure to 6alpha-methylprednisolone def: "An exposure to 6alpha-methylprednisolone." [] synonym: "exposure to 6alpha-methylprednisolone" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6888 ! has exposure stimulus 6alpha-methylprednisolone relationship: RO:0002309 CHEBI:6888 ! has exposure stimulus 6alpha-methylprednisolone [Term] id: ECTO:9000772 name: exposure to metolachlor def: "An exposure to metolachlor." [] synonym: "exposure to metolachlor" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6902 ! has exposure stimulus metolachlor relationship: RO:0002309 CHEBI:6902 ! has exposure stimulus metolachlor [Term] id: ECTO:9000773 name: exposure to metoprolol def: "An exposure to metoprolol." [] synonym: "exposure to metoprolol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6904 ! has exposure stimulus metoprolol relationship: RO:0002309 CHEBI:6904 ! has exposure stimulus metoprolol [Term] id: ECTO:9000774 name: exposure to metronidazole def: "An exposure to metronidazole." [] synonym: "exposure to metronidazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6909 ! has exposure stimulus metronidazole relationship: RO:0002309 CHEBI:6909 ! has exposure stimulus metronidazole [Term] id: ECTO:9000775 name: exposure to microcystin-LR def: "An exposure to microcystin-LR." [] synonym: "exposure to microcystin-LR" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6925 ! has exposure stimulus microcystin-LR relationship: RO:0002309 CHEBI:6925 ! has exposure stimulus microcystin-LR [Term] id: ECTO:9000776 name: obsolete N,N-diethyl-m-toluamide exposure is_obsolete: true replaced_by: ECTO:9000121 [Term] id: ECTO:9000777 name: exposure to malachite green def: "An exposure to malachite green." [] synonym: "exposure to malachite green" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:72449 ! has exposure stimulus malachite green relationship: RO:0002309 CHEBI:72449 ! has exposure stimulus malachite green [Term] id: ECTO:9000778 name: exposure to naltrexone def: "An exposure to naltrexone." [] synonym: "exposure to naltrexone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7465 ! has exposure stimulus naltrexone relationship: RO:0002309 CHEBI:7465 ! has exposure stimulus naltrexone [Term] id: ECTO:9000779 name: exposure to naproxen def: "An exposure to naproxen." [] synonym: "exposure to naproxen" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7476 ! has exposure stimulus naproxen relationship: RO:0002309 CHEBI:7476 ! has exposure stimulus naproxen [Term] id: ECTO:9000780 name: exposure to myclobutanil def: "An exposure to myclobutanil." [] synonym: "exposure to myclobutanil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75281 ! has exposure stimulus myclobutanil relationship: RO:0002309 CHEBI:75281 ! has exposure stimulus myclobutanil [Term] id: ECTO:9000781 name: exposure to benzotriazole def: "An exposure to benzotriazole." [] synonym: "exposure to benzotriazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75331 ! has exposure stimulus benzotriazole relationship: RO:0002309 CHEBI:75331 ! has exposure stimulus benzotriazole [Term] id: ECTO:9000782 name: exposure to dichlorprop def: "An exposure to dichlorprop." [] synonym: "exposure to dichlorprop" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75375 ! has exposure stimulus dichlorprop relationship: RO:0002309 CHEBI:75375 ! has exposure stimulus dichlorprop [Term] id: ECTO:9000783 name: exposure to nicosulfuron def: "An exposure to nicosulfuron." [] synonym: "exposure to nicosulfuron" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7554 ! has exposure stimulus nicosulfuron relationship: RO:0002309 CHEBI:7554 ! has exposure stimulus nicosulfuron [Term] id: ECTO:9000784 name: exposure to mecoprop def: "An exposure to mecoprop." [] synonym: "exposure to mecoprop" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75711 ! has exposure stimulus mecoprop relationship: RO:0002309 CHEBI:75711 ! has exposure stimulus mecoprop [Term] id: ECTO:9000785 name: exposure to triphenylmethane def: "An exposure to triphenylmethane." [] synonym: "exposure to triphenylmethane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76212 ! has exposure stimulus triphenylmethane relationship: RO:0002309 CHEBI:76212 ! has exposure stimulus triphenylmethane [Term] id: ECTO:9000786 name: exposure to N-nitrosopiperidine def: "An exposure to N-nitrosopiperidine." [] synonym: "exposure to N-nitrosopiperidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76324 ! has exposure stimulus N-nitrosopiperidine relationship: RO:0002309 CHEBI:76324 ! has exposure stimulus N-nitrosopiperidine [Term] id: ECTO:9000787 name: exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole def: "An exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole." [] synonym: "exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77278 ! has exposure stimulus 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole relationship: RO:0002309 CHEBI:77278 ! has exposure stimulus 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole [Term] id: ECTO:9000788 name: exposure to dexamisole def: "An exposure to dexamisole." [] synonym: "exposure to dexamisole" EXACT [] is_a: ECTO:9000787 ! exposure to 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77282 ! has exposure stimulus dexamisole relationship: RO:0002309 CHEBI:77282 ! has exposure stimulus dexamisole [Term] id: ECTO:9000789 name: exposure to orbencarb def: "An exposure to orbencarb." [] synonym: "exposure to orbencarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7778 ! has exposure stimulus orbencarb relationship: RO:0002309 CHEBI:7778 ! has exposure stimulus orbencarb [Term] id: ECTO:9000790 name: exposure to toxaphene def: "An exposure to toxaphene." [] synonym: "exposure to toxaphene" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77850 ! has exposure stimulus toxaphene relationship: RO:0002309 CHEBI:77850 ! has exposure stimulus toxaphene [Term] id: ECTO:9000791 name: exposure to oseltamivir def: "An exposure to oseltamivir." [] synonym: "exposure to oseltamivir" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7798 ! has exposure stimulus oseltamivir relationship: RO:0002309 CHEBI:7798 ! has exposure stimulus oseltamivir [Term] id: ECTO:9000792 name: exposure to oxazepam def: "An exposure to oxazepam." [] synonym: "exposure to oxazepam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7823 ! has exposure stimulus oxazepam relationship: RO:0002309 CHEBI:7823 ! has exposure stimulus oxazepam [Term] id: ECTO:9000793 name: exposure to cumene hydroperoxide def: "An exposure to cumene hydroperoxide." [] synonym: "exposure to cumene hydroperoxide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000222 ! exposure to hydroperoxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78673 ! has exposure stimulus cumene hydroperoxide relationship: RO:0002309 CHEBI:78673 ! has exposure stimulus cumene hydroperoxide [Term] id: ECTO:9000794 name: exposure to pyraclostrobin def: "An exposure to pyraclostrobin." [] synonym: "exposure to pyraclostrobin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78780 ! has exposure stimulus pyraclostrobin relationship: RO:0002309 CHEBI:78780 ! has exposure stimulus pyraclostrobin [Term] id: ECTO:9000795 name: exposure to pantoprazole def: "An exposure to pantoprazole." [] synonym: "exposure to pantoprazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7915 ! has exposure stimulus pantoprazole relationship: RO:0002309 CHEBI:7915 ! has exposure stimulus pantoprazole [Term] id: ECTO:9000796 name: exposure to 3,4,4',5-Tetrachlorobiphenyl def: "An exposure to 3,4,4',5-Tetrachlorobiphenyl." [] synonym: "exposure to 3,4,4',5-Tetrachlorobiphenyl" EXACT [] is_a: ECTO:9000653 ! exposure to tetrachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81516 ! has exposure stimulus 3,4,4',5-Tetrachlorobiphenyl relationship: RO:0002309 CHEBI:81516 ! has exposure stimulus 3,4,4',5-Tetrachlorobiphenyl [Term] id: ECTO:9000797 name: exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl def: "An exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl." [] synonym: "exposure to 3,4,5,3',4',5'-Hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81517 ! has exposure stimulus 3,4,5,3',4',5'-Hexachlorobiphenyl relationship: RO:0002309 CHEBI:81517 ! has exposure stimulus 3,4,5,3',4',5'-Hexachlorobiphenyl [Term] id: ECTO:9000798 name: exposure to 2,3,4,3',4'-Pentachlorobiphenyl def: "An exposure to 2,3,4,3',4'-Pentachlorobiphenyl." [] synonym: "exposure to 2,3,4,3',4'-Pentachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81518 ! has exposure stimulus 2,3,4,3',4'-Pentachlorobiphenyl relationship: RO:0002309 CHEBI:81518 ! has exposure stimulus 2,3,4,3',4'-Pentachlorobiphenyl [Term] id: ECTO:9000799 name: exposure to 2,3,4,4',5-Pentachlorobiphenyl def: "An exposure to 2,3,4,4',5-Pentachlorobiphenyl." [] synonym: "exposure to 2,3,4,4',5-Pentachlorobiphenyl" EXACT [] is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81519 ! has exposure stimulus 2,3,4,4',5-Pentachlorobiphenyl relationship: RO:0002309 CHEBI:81519 ! has exposure stimulus 2,3,4,4',5-Pentachlorobiphenyl [Term] id: ECTO:9000800 name: exposure to 2,3',4,4',5-Pentachlorobiphenyl def: "An exposure to 2,3',4,4',5-Pentachlorobiphenyl." [] synonym: "exposure to 2,3',4,4',5-Pentachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81520 ! has exposure stimulus 2,3',4,4',5-Pentachlorobiphenyl relationship: RO:0002309 CHEBI:81520 ! has exposure stimulus 2,3',4,4',5-Pentachlorobiphenyl [Term] id: ECTO:9000801 name: exposure to 2,3',4,4',5'-Pentachlorobiphenyl def: "An exposure to 2,3',4,4',5'-Pentachlorobiphenyl." [] synonym: "exposure to 2,3',4,4',5'-Pentachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000654 ! exposure to pentachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81521 ! has exposure stimulus 2,3',4,4',5'-Pentachlorobiphenyl relationship: RO:0002309 CHEBI:81521 ! has exposure stimulus 2,3',4,4',5'-Pentachlorobiphenyl [Term] id: ECTO:9000802 name: exposure to 2,3,3',4,4',5-Hexachlorobiphenyl def: "An exposure to 2,3,3',4,4',5-Hexachlorobiphenyl." [] synonym: "exposure to 2,3,3',4,4',5-Hexachlorobiphenyl" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81522 ! has exposure stimulus 2,3,3',4,4',5-Hexachlorobiphenyl relationship: RO:0002309 CHEBI:81522 ! has exposure stimulus 2,3,3',4,4',5-Hexachlorobiphenyl [Term] id: ECTO:9000803 name: exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl def: "An exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl." [] synonym: "exposure to 2,3,3',4,4',5'-Hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81523 ! has exposure stimulus 2,3,3',4,4',5'-Hexachlorobiphenyl relationship: RO:0002309 CHEBI:81523 ! has exposure stimulus 2,3,3',4,4',5'-Hexachlorobiphenyl [Term] id: ECTO:9000804 name: exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl def: "An exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl." [] synonym: "exposure to 2,3',4,4',5,5'-Hexachlorobiphenyl" EXACT [] is_a: ECTO:9000655 ! exposure to hexachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81524 ! has exposure stimulus 2,3',4,4',5,5'-Hexachlorobiphenyl relationship: RO:0002309 CHEBI:81524 ! has exposure stimulus 2,3',4,4',5,5'-Hexachlorobiphenyl [Term] id: ECTO:9000805 name: exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl def: "An exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl." [] synonym: "exposure to 2,3,3',4,4',5,5'-Heptachlorobiphenyl" EXACT [] is_a: ECTO:9000882 ! exposure to heptachlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81525 ! has exposure stimulus 2,3,3',4,4',5,5'-Heptachlorobiphenyl relationship: RO:0002309 CHEBI:81525 ! has exposure stimulus 2,3,3',4,4',5,5'-Heptachlorobiphenyl [Term] id: ECTO:9000806 name: exposure to asulam def: "An exposure to asulam." [] synonym: "exposure to asulam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81696 ! has exposure stimulus asulam relationship: RO:0002309 CHEBI:81696 ! has exposure stimulus asulam [Term] id: ECTO:9000807 name: exposure to desmedipham def: "An exposure to desmedipham." [] synonym: "exposure to desmedipham" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81733 ! has exposure stimulus desmedipham relationship: RO:0002309 CHEBI:81733 ! has exposure stimulus desmedipham [Term] id: ECTO:9000808 name: exposure to phenmedipham def: "An exposure to phenmedipham." [] synonym: "exposure to phenmedipham" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81734 ! has exposure stimulus phenmedipham relationship: RO:0002309 CHEBI:81734 ! has exposure stimulus phenmedipham [Term] id: ECTO:9000809 name: exposure to cyproconazole def: "An exposure to cyproconazole." [] synonym: "exposure to cyproconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81758 ! has exposure stimulus cyproconazole relationship: RO:0002309 CHEBI:81758 ! has exposure stimulus cyproconazole [Term] id: ECTO:9000810 name: exposure to difenoconazole def: "An exposure to difenoconazole." [] synonym: "exposure to difenoconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81760 ! has exposure stimulus difenoconazole relationship: RO:0002309 CHEBI:81760 ! has exposure stimulus difenoconazole [Term] id: ECTO:9000811 name: exposure to tebuconazole def: "An exposure to tebuconazole." [] synonym: "exposure to tebuconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81781 ! has exposure stimulus tebuconazole relationship: RO:0002309 CHEBI:81781 ! has exposure stimulus tebuconazole [Term] id: ECTO:9000812 name: exposure to cymoxanil def: "An exposure to cymoxanil." [] synonym: "exposure to cymoxanil" EXACT [] is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81788 ! has exposure stimulus cymoxanil relationship: RO:0002309 CHEBI:81788 ! has exposure stimulus cymoxanil [Term] id: ECTO:9000813 name: exposure to dimethenamid def: "An exposure to dimethenamid." [] synonym: "exposure to dimethenamid" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81789 ! has exposure stimulus dimethenamid relationship: RO:0002309 CHEBI:81789 ! has exposure stimulus dimethenamid [Term] id: ECTO:9000814 name: exposure to fluazifop def: "An exposure to fluazifop." [] synonym: "exposure to fluazifop" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81805 ! has exposure stimulus fluazifop relationship: RO:0002309 CHEBI:81805 ! has exposure stimulus fluazifop [Term] id: ECTO:9000815 name: exposure to 2-methyl-4-chlorophenoxybutyric acid def: "An exposure to 2-methyl-4-chlorophenoxybutyric acid." [] synonym: "exposure to 2-methyl-4-chlorophenoxybutyric acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81806 ! has exposure stimulus 2-methyl-4-chlorophenoxybutyric acid relationship: RO:0002309 CHEBI:81806 ! has exposure stimulus 2-methyl-4-chlorophenoxybutyric acid [Term] id: ECTO:9000816 name: exposure to trinexapac-ethyl def: "An exposure to trinexapac-ethyl." [] synonym: "exposure to trinexapac-ethyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81817 ! has exposure stimulus trinexapac-ethyl relationship: RO:0002309 CHEBI:81817 ! has exposure stimulus trinexapac-ethyl [Term] id: ECTO:9000817 name: exposure to ioxynil def: "An exposure to ioxynil." [] synonym: "exposure to ioxynil" EXACT [] is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9001353 ! exposure to phenols is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81821 ! has exposure stimulus ioxynil relationship: RO:0002309 CHEBI:81821 ! has exposure stimulus ioxynil [Term] id: ECTO:9000818 name: exposure to boscalid def: "An exposure to boscalid." [] synonym: "exposure to boscalid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81822 ! has exposure stimulus boscalid relationship: RO:0002309 CHEBI:81822 ! has exposure stimulus boscalid [Term] id: ECTO:9000819 name: exposure to diflufenican def: "An exposure to diflufenican." [] synonym: "exposure to diflufenican" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81824 ! has exposure stimulus diflufenican relationship: RO:0002309 CHEBI:81824 ! has exposure stimulus diflufenican [Term] id: ECTO:9000820 name: exposure to chloridazon def: "An exposure to chloridazon." [] synonym: "exposure to chloridazon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81838 ! has exposure stimulus chloridazon relationship: RO:0002309 CHEBI:81838 ! has exposure stimulus chloridazon [Term] id: ECTO:9000821 name: exposure to fluazinam def: "An exposure to fluazinam." [] synonym: "exposure to fluazinam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81843 ! has exposure stimulus fluazinam relationship: RO:0002309 CHEBI:81843 ! has exposure stimulus fluazinam [Term] id: ECTO:9000822 name: exposure to dimethomorph def: "An exposure to dimethomorph." [] synonym: "exposure to dimethomorph" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81848 ! has exposure stimulus dimethomorph relationship: RO:0002309 CHEBI:81848 ! has exposure stimulus dimethomorph [Term] id: ECTO:9000823 name: exposure to dicamba def: "An exposure to dicamba." [] synonym: "exposure to dicamba" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81856 ! has exposure stimulus dicamba relationship: RO:0002309 CHEBI:81856 ! has exposure stimulus dicamba [Term] id: ECTO:9000824 name: exposure to imazamox def: "An exposure to imazamox." [] synonym: "exposure to imazamox" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81857 ! has exposure stimulus imazamox relationship: RO:0002309 CHEBI:81857 ! has exposure stimulus imazamox [Term] id: ECTO:9000825 name: exposure to dimethachlor def: "An exposure to dimethachlor." [] synonym: "exposure to dimethachlor" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81911 ! has exposure stimulus dimethachlor relationship: RO:0002309 CHEBI:81911 ! has exposure stimulus dimethachlor [Term] id: ECTO:9000826 name: exposure to fenpropidin def: "An exposure to fenpropidin." [] synonym: "exposure to fenpropidin" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81917 ! has exposure stimulus fenpropidin relationship: RO:0002309 CHEBI:81917 ! has exposure stimulus fenpropidin [Term] id: ECTO:9000827 name: exposure to flufenacet def: "An exposure to flufenacet." [] synonym: "exposure to flufenacet" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81920 ! has exposure stimulus flufenacet relationship: RO:0002309 CHEBI:81920 ! has exposure stimulus flufenacet [Term] id: ECTO:9000828 name: exposure to flusilazole def: "An exposure to flusilazole." [] synonym: "exposure to flusilazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81922 ! has exposure stimulus flusilazole relationship: RO:0002309 CHEBI:81922 ! has exposure stimulus flusilazole [Term] id: ECTO:9000829 name: exposure to octhilinone def: "An exposure to octhilinone." [] synonym: "exposure to octhilinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81936 ! has exposure stimulus octhilinone relationship: RO:0002309 CHEBI:81936 ! has exposure stimulus octhilinone [Term] id: ECTO:9000830 name: exposure to prosulfocarb def: "An exposure to prosulfocarb." [] synonym: "exposure to prosulfocarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81941 ! has exposure stimulus prosulfocarb relationship: RO:0002309 CHEBI:81941 ! has exposure stimulus prosulfocarb [Term] id: ECTO:9000831 name: exposure to sulfluramid def: "An exposure to sulfluramid." [] synonym: "exposure to sulfluramid" EXACT [] is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81945 ! has exposure stimulus sulfluramid relationship: RO:0002309 CHEBI:81945 ! has exposure stimulus sulfluramid [Term] id: ECTO:9000832 name: exposure to terbumeton def: "An exposure to terbumeton." [] synonym: "exposure to terbumeton" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81947 ! has exposure stimulus terbumeton relationship: RO:0002309 CHEBI:81947 ! has exposure stimulus terbumeton [Term] id: ECTO:9000833 name: exposure to chlorotoluron def: "An exposure to chlorotoluron." [] synonym: "exposure to chlorotoluron" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81981 ! has exposure stimulus chlorotoluron relationship: RO:0002309 CHEBI:81981 ! has exposure stimulus chlorotoluron [Term] id: ECTO:9000834 name: exposure to ethofumesate def: "An exposure to ethofumesate." [] synonym: "exposure to ethofumesate" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81990 ! has exposure stimulus ethofumesate relationship: RO:0002309 CHEBI:81990 ! has exposure stimulus ethofumesate [Term] id: ECTO:9000835 name: exposure to fluroxypyr def: "An exposure to fluroxypyr." [] synonym: "exposure to fluroxypyr" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82017 ! has exposure stimulus fluroxypyr relationship: RO:0002309 CHEBI:82017 ! has exposure stimulus fluroxypyr [Term] id: ECTO:9000836 name: exposure to iprovalicarb def: "An exposure to iprovalicarb." [] synonym: "exposure to iprovalicarb" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82023 ! has exposure stimulus iprovalicarb relationship: RO:0002309 CHEBI:82023 ! has exposure stimulus iprovalicarb [Term] id: ECTO:9000837 name: exposure to napropamide def: "An exposure to napropamide." [] synonym: "exposure to napropamide" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82025 ! has exposure stimulus napropamide relationship: RO:0002309 CHEBI:82025 ! has exposure stimulus napropamide [Term] id: ECTO:9000838 name: exposure to propamocarb def: "An exposure to propamocarb." [] synonym: "exposure to propamocarb" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82033 ! has exposure stimulus propamocarb relationship: RO:0002309 CHEBI:82033 ! has exposure stimulus propamocarb [Term] id: ECTO:9000839 name: exposure to propaquizafop def: "An exposure to propaquizafop." [] synonym: "exposure to propaquizafop" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82034 ! has exposure stimulus propaquizafop relationship: RO:0002309 CHEBI:82034 ! has exposure stimulus propaquizafop [Term] id: ECTO:9000840 name: exposure to tebutam def: "An exposure to tebutam." [] synonym: "exposure to tebutam" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82043 ! has exposure stimulus tebutam relationship: RO:0002309 CHEBI:82043 ! has exposure stimulus tebutam [Term] id: ECTO:9000841 name: exposure to atraton def: "An exposure to atraton." [] synonym: "exposure to atraton" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82220 ! has exposure stimulus atraton relationship: RO:0002309 CHEBI:82220 ! has exposure stimulus atraton [Term] id: ECTO:9000842 name: exposure to secbumeton def: "An exposure to secbumeton." [] synonym: "exposure to secbumeton" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82228 ! has exposure stimulus secbumeton relationship: RO:0002309 CHEBI:82228 ! has exposure stimulus secbumeton [Term] id: ECTO:9000843 name: exposure to pirimicarb def: "An exposure to pirimicarb." [] synonym: "exposure to pirimicarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8248 ! has exposure stimulus pirimicarb relationship: RO:0002309 CHEBI:8248 ! has exposure stimulus pirimicarb [Term] id: ECTO:9000844 name: exposure to 3-iodoprop-2-yn-1-yl butylcarbamate def: "An exposure to 3-iodoprop-2-yn-1-yl butylcarbamate." [] synonym: "exposure to 3-iodoprop-2-yn-1-yl butylcarbamate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83279 ! has exposure stimulus 3-iodoprop-2-yn-1-yl butylcarbamate relationship: RO:0002309 CHEBI:83279 ! has exposure stimulus 3-iodoprop-2-yn-1-yl butylcarbamate [Term] id: ECTO:9000845 name: exposure to thifensulfuron-methyl def: "An exposure to thifensulfuron-methyl." [] synonym: "exposure to thifensulfuron-methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83453 ! has exposure stimulus thifensulfuron-methyl relationship: RO:0002309 CHEBI:83453 ! has exposure stimulus thifensulfuron-methyl [Term] id: ECTO:9000846 name: exposure to 5-methyl-1H-benzotriazole def: "An exposure to 5-methyl-1H-benzotriazole." [] synonym: "exposure to 5-methyl-1H-benzotriazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83455 ! has exposure stimulus 5-methyl-1H-benzotriazole relationship: RO:0002309 CHEBI:83455 ! has exposure stimulus 5-methyl-1H-benzotriazole [Term] id: ECTO:9000847 name: exposure to sulcotrione def: "An exposure to sulcotrione." [] synonym: "exposure to sulcotrione" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83465 ! has exposure stimulus sulcotrione relationship: RO:0002309 CHEBI:83465 ! has exposure stimulus sulcotrione [Term] id: ECTO:9000848 name: exposure to perfluoropentanoic acid def: "An exposure to perfluoropentanoic acid." [] synonym: "exposure to perfluoropentanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83491 ! has exposure stimulus perfluoropentanoic acid relationship: RO:0002309 CHEBI:83491 ! has exposure stimulus perfluoropentanoic acid [Term] id: ECTO:9000849 name: exposure to perfluorohexanoic acid def: "An exposure to perfluorohexanoic acid." [] synonym: "exposure to perfluorohexanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83492 ! has exposure stimulus perfluorohexanoic acid relationship: RO:0002309 CHEBI:83492 ! has exposure stimulus perfluorohexanoic acid [Term] id: ECTO:9000850 name: exposure to perfluoroundecanoic acid def: "An exposure to perfluoroundecanoic acid." [] synonym: "exposure to perfluoroundecanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83493 ! has exposure stimulus perfluoroundecanoic acid relationship: RO:0002309 CHEBI:83493 ! has exposure stimulus perfluoroundecanoic acid [Term] id: ECTO:9000851 name: exposure to 6:2 fluorotelomer unsaturated carboxylic acid def: "An exposure to 6:2 fluorotelomer unsaturated carboxylic acid." [] synonym: "exposure to 6:2 fluorotelomer unsaturated carboxylic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83494 ! has exposure stimulus 6:2 fluorotelomer unsaturated carboxylic acid relationship: RO:0002309 CHEBI:83494 ! has exposure stimulus 6:2 fluorotelomer unsaturated carboxylic acid [Term] id: ECTO:9000852 name: exposure to 8:2 fluorotelomer unsaturated carboxylic acid def: "An exposure to 8:2 fluorotelomer unsaturated carboxylic acid." [] synonym: "exposure to 8:2 fluorotelomer unsaturated carboxylic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83495 ! has exposure stimulus 8:2 fluorotelomer unsaturated carboxylic acid relationship: RO:0002309 CHEBI:83495 ! has exposure stimulus 8:2 fluorotelomer unsaturated carboxylic acid [Term] id: ECTO:9000853 name: exposure to climbazole def: "An exposure to climbazole." [] synonym: "exposure to climbazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83499 ! has exposure stimulus climbazole relationship: RO:0002309 CHEBI:83499 ! has exposure stimulus climbazole [Term] id: ECTO:9000854 name: exposure to tritosulfuron def: "An exposure to tritosulfuron." [] synonym: "exposure to tritosulfuron" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83500 ! has exposure stimulus tritosulfuron relationship: RO:0002309 CHEBI:83500 ! has exposure stimulus tritosulfuron [Term] id: ECTO:9000855 name: exposure to acesulfame def: "An exposure to acesulfame." [] synonym: "exposure to acesulfame" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83501 ! has exposure stimulus acesulfame relationship: RO:0002309 CHEBI:83501 ! has exposure stimulus acesulfame [Term] id: ECTO:9000856 name: exposure to foramsulfuron def: "An exposure to foramsulfuron." [] synonym: "exposure to foramsulfuron" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83502 ! has exposure stimulus foramsulfuron relationship: RO:0002309 CHEBI:83502 ! has exposure stimulus foramsulfuron [Term] id: ECTO:9000857 name: exposure to neotame def: "An exposure to neotame." [] synonym: "exposure to neotame" EXACT [] is_a: ECTO:9000402 ! exposure to peptide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83503 ! has exposure stimulus neotame relationship: RO:0002309 CHEBI:83503 ! has exposure stimulus neotame [Term] id: ECTO:9000858 name: exposure to perfluorooctane sulfonamidoacetic acid def: "An exposure to perfluorooctane sulfonamidoacetic acid." [] synonym: "exposure to perfluorooctane sulfonamidoacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83505 ! has exposure stimulus perfluorooctane sulfonamidoacetic acid relationship: RO:0002309 CHEBI:83505 ! has exposure stimulus perfluorooctane sulfonamidoacetic acid [Term] id: ECTO:9000859 name: exposure to N-methylperfluorooctane sulfonamidoacetic acid def: "An exposure to N-methylperfluorooctane sulfonamidoacetic acid." [] synonym: "exposure to N-methylperfluorooctane sulfonamidoacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83506 ! has exposure stimulus N-methylperfluorooctane sulfonamidoacetic acid relationship: RO:0002309 CHEBI:83506 ! has exposure stimulus N-methylperfluorooctane sulfonamidoacetic acid [Term] id: ECTO:9000860 name: exposure to N-ethylperfluorooctane sulfonamidoacetic acid def: "An exposure to N-ethylperfluorooctane sulfonamidoacetic acid." [] synonym: "exposure to N-ethylperfluorooctane sulfonamidoacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83507 ! has exposure stimulus N-ethylperfluorooctane sulfonamidoacetic acid relationship: RO:0002309 CHEBI:83507 ! has exposure stimulus N-ethylperfluorooctane sulfonamidoacetic acid [Term] id: ECTO:9000861 name: exposure to perfluorooctyl phosphate def: "An exposure to perfluorooctyl phosphate." [] synonym: "exposure to perfluorooctyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83508 ! has exposure stimulus perfluorooctyl phosphate relationship: RO:0002309 CHEBI:83508 ! has exposure stimulus perfluorooctyl phosphate [Term] id: ECTO:9000862 name: exposure to iooxitalamic acid def: "An exposure to iooxitalamic acid." [] synonym: "exposure to iooxitalamic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000084 ! exposure to iodine is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83517 ! has exposure stimulus iooxitalamic acid relationship: RO:0002309 CHEBI:83517 ! has exposure stimulus iooxitalamic acid [Term] id: ECTO:9000863 name: exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone def: "An exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone." [] synonym: "exposure to 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83518 ! has exposure stimulus 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone relationship: RO:0002309 CHEBI:83518 ! has exposure stimulus 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone [Term] id: ECTO:9000864 name: exposure to sebuthylazine def: "An exposure to sebuthylazine." [] synonym: "exposure to sebuthylazine" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83521 ! has exposure stimulus sebuthylazine relationship: RO:0002309 CHEBI:83521 ! has exposure stimulus sebuthylazine [Term] id: ECTO:9000865 name: exposure to pethoxamide def: "An exposure to pethoxamide." [] synonym: "exposure to pethoxamide" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83523 ! has exposure stimulus pethoxamide relationship: RO:0002309 CHEBI:83523 ! has exposure stimulus pethoxamide [Term] id: ECTO:9000866 name: exposure to pinoxaden def: "An exposure to pinoxaden." [] synonym: "exposure to pinoxaden" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83524 ! has exposure stimulus pinoxaden relationship: RO:0002309 CHEBI:83524 ! has exposure stimulus pinoxaden [Term] id: ECTO:9000867 name: exposure to moclobemide def: "An exposure to moclobemide." [] synonym: "exposure to moclobemide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83531 ! has exposure stimulus moclobemide relationship: RO:0002309 CHEBI:83531 ! has exposure stimulus moclobemide [Term] id: ECTO:9000868 name: exposure to neohesperidin dihydrochalcone def: "An exposure to neohesperidin dihydrochalcone." [] synonym: "exposure to neohesperidin dihydrochalcone" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000436 ! exposure to glycoside intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83535 ! has exposure stimulus neohesperidin dihydrochalcone relationship: RO:0002309 CHEBI:83535 ! has exposure stimulus neohesperidin dihydrochalcone [Term] id: ECTO:9000869 name: exposure to 1-(3-(trifluoromethyl)phenyl)piperazine def: "An exposure to 1-(3-(trifluoromethyl)phenyl)piperazine." [] synonym: "exposure to 1-(3-(trifluoromethyl)phenyl)piperazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83536 ! has exposure stimulus 1-(3-(trifluoromethyl)phenyl)piperazine relationship: RO:0002309 CHEBI:83536 ! has exposure stimulus 1-(3-(trifluoromethyl)phenyl)piperazine [Term] id: ECTO:9000870 name: exposure to 1-benzylpiperazine def: "An exposure to 1-benzylpiperazine." [] synonym: "exposure to 1-benzylpiperazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83537 ! has exposure stimulus 1-benzylpiperazine relationship: RO:0002309 CHEBI:83537 ! has exposure stimulus 1-benzylpiperazine [Term] id: ECTO:9000871 name: exposure to bisperfluorooctyl phosphate def: "An exposure to bisperfluorooctyl phosphate." [] synonym: "exposure to bisperfluorooctyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83539 ! has exposure stimulus bisperfluorooctyl phosphate relationship: RO:0002309 CHEBI:83539 ! has exposure stimulus bisperfluorooctyl phosphate [Term] id: ECTO:9000872 name: exposure to bisperfluorodecyl phosphate def: "An exposure to bisperfluorodecyl phosphate." [] synonym: "exposure to bisperfluorodecyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83540 ! has exposure stimulus bisperfluorodecyl phosphate relationship: RO:0002309 CHEBI:83540 ! has exposure stimulus bisperfluorodecyl phosphate [Term] id: ECTO:9000873 name: exposure to perfluorodecyl phosphate def: "An exposure to perfluorodecyl phosphate." [] synonym: "exposure to perfluorodecyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83541 ! has exposure stimulus perfluorodecyl phosphate relationship: RO:0002309 CHEBI:83541 ! has exposure stimulus perfluorodecyl phosphate [Term] id: ECTO:9000874 name: exposure to pendimethalin def: "An exposure to pendimethalin." [] synonym: "exposure to pendimethalin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83569 ! has exposure stimulus pendimethalin relationship: RO:0002309 CHEBI:83569 ! has exposure stimulus pendimethalin [Term] id: ECTO:9000875 name: exposure to prednisolone def: "An exposure to prednisolone." [] synonym: "exposure to prednisolone" EXACT [] is_a: ECTO:0000259 ! exposure to glucocorticoid is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8378 ! has exposure stimulus prednisolone relationship: RO:0002309 CHEBI:8378 ! has exposure stimulus prednisolone [Term] id: ECTO:9000876 name: exposure to primidone def: "An exposure to primidone." [] synonym: "exposure to primidone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8412 ! has exposure stimulus primidone relationship: RO:0002309 CHEBI:8412 ! has exposure stimulus primidone [Term] id: ECTO:9000877 name: exposure to quinmerac def: "An exposure to quinmerac." [] synonym: "exposure to quinmerac" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84199 ! has exposure stimulus quinmerac relationship: RO:0002309 CHEBI:84199 ! has exposure stimulus quinmerac [Term] id: ECTO:9000878 name: exposure to prochloraz def: "An exposure to prochloraz." [] synonym: "exposure to prochloraz" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8434 ! has exposure stimulus prochloraz relationship: RO:0002309 CHEBI:8434 ! has exposure stimulus prochloraz [Term] id: ECTO:9000879 name: exposure to propiconazole def: "An exposure to propiconazole." [] synonym: "exposure to propiconazole" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8489 ! has exposure stimulus propiconazole relationship: RO:0002309 CHEBI:8489 ! has exposure stimulus propiconazole [Term] id: ECTO:9000880 name: exposure to propranolol def: "An exposure to propranolol." [] synonym: "exposure to propranolol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8499 ! has exposure stimulus propranolol relationship: RO:0002309 CHEBI:8499 ! has exposure stimulus propranolol [Term] id: ECTO:9000881 name: exposure to flumequine def: "An exposure to flumequine." [] synonym: "exposure to flumequine" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85267 ! has exposure stimulus flumequine relationship: RO:0002309 CHEBI:85267 ! has exposure stimulus flumequine [Term] id: ECTO:9000882 name: exposure to heptachlorobiphenyl def: "An exposure to heptachlorobiphenyl." [] synonym: "exposure to heptachlorobiphenyl" EXACT [] is_a: ECTO:9000068 ! exposure to polychlorobiphenyl intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85782 ! has exposure stimulus heptachlorobiphenyl relationship: RO:0002309 CHEBI:85782 ! has exposure stimulus heptachlorobiphenyl [Term] id: ECTO:9000883 name: exposure to pyrimethanil def: "An exposure to pyrimethanil." [] synonym: "exposure to pyrimethanil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8674 ! has exposure stimulus pyrimethanil relationship: RO:0002309 CHEBI:8674 ! has exposure stimulus pyrimethanil [Term] id: ECTO:9000884 name: exposure to acid red 4 def: "An exposure to acid red 4." [] synonym: "exposure to acid red 4" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:87094 ! has exposure stimulus acid red 4 relationship: RO:0002309 CHEBI:87094 ! has exposure stimulus acid red 4 [Term] id: ECTO:9000885 name: exposure to (R)-(+)-propranolol def: "An exposure to (R)-(+)-propranolol." [] synonym: "exposure to (R)-(+)-propranolol" EXACT [] is_a: ECTO:9000880 ! exposure to propranolol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8736 ! has exposure stimulus (R)-(+)-propranolol relationship: RO:0002309 CHEBI:8736 ! has exposure stimulus (R)-(+)-propranolol [Term] id: ECTO:9000886 name: exposure to (R)-salbutamol def: "An exposure to (R)-salbutamol." [] synonym: "exposure to (R)-salbutamol" EXACT [] is_a: ECTO:9000565 ! exposure to albuterol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8746 ! has exposure stimulus (R)-salbutamol relationship: RO:0002309 CHEBI:8746 ! has exposure stimulus (R)-salbutamol [Term] id: ECTO:9000887 name: exposure to ranitidine def: "An exposure to ranitidine." [] synonym: "exposure to ranitidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8776 ! has exposure stimulus ranitidine relationship: RO:0002309 CHEBI:8776 ! has exposure stimulus ranitidine [Term] id: ECTO:9000888 name: exposure to brilliant green def: "An exposure to brilliant green." [] synonym: "exposure to brilliant green" EXACT [] is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88173 ! has exposure stimulus brilliant green relationship: RO:0002309 CHEBI:88173 ! has exposure stimulus brilliant green [Term] id: ECTO:9000889 name: exposure to brilliant green cation def: "An exposure to brilliant green cation." [] synonym: "exposure to brilliant green cation" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88176 ! has exposure stimulus brilliant green cation relationship: RO:0002309 CHEBI:88176 ! has exposure stimulus brilliant green cation [Term] id: ECTO:9000890 name: exposure to Sirius red 4B def: "An exposure to Sirius red 4B." [] synonym: "exposure to Sirius red 4B" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88191 ! has exposure stimulus Sirius red 4B relationship: RO:0002309 CHEBI:88191 ! has exposure stimulus Sirius red 4B [Term] id: ECTO:9000891 name: exposure to rimsulfuron def: "An exposure to rimsulfuron." [] synonym: "exposure to rimsulfuron" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8866 ! has exposure stimulus rimsulfuron relationship: RO:0002309 CHEBI:8866 ! has exposure stimulus rimsulfuron [Term] id: ECTO:9000892 name: exposure to perfluorododecanoic acid def: "An exposure to perfluorododecanoic acid." [] synonym: "exposure to perfluorododecanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:90633 ! has exposure stimulus perfluorododecanoic acid relationship: RO:0002309 CHEBI:90633 ! has exposure stimulus perfluorododecanoic acid [Term] id: ECTO:9000893 name: exposure to spironolactone def: "An exposure to spironolactone." [] synonym: "exposure to spironolactone" EXACT [] is_a: ECTO:0002002 ! exposure to steroid is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9241 ! has exposure stimulus spironolactone relationship: RO:0002309 CHEBI:9241 ! has exposure stimulus spironolactone [Term] id: ECTO:9000894 name: exposure to spiroxamine def: "An exposure to spiroxamine." [] synonym: "exposure to spiroxamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9242 ! has exposure stimulus spiroxamine relationship: RO:0002309 CHEBI:9242 ! has exposure stimulus spiroxamine [Term] id: ECTO:9000895 name: exposure to sulfadiazine def: "An exposure to sulfadiazine." [] synonym: "exposure to sulfadiazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9328 ! has exposure stimulus sulfadiazine relationship: RO:0002309 CHEBI:9328 ! has exposure stimulus sulfadiazine [Term] id: ECTO:9000896 name: exposure to sulfamethoxazole def: "An exposure to sulfamethoxazole." [] synonym: "exposure to sulfamethoxazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9332 ! has exposure stimulus sulfamethoxazole relationship: RO:0002309 CHEBI:9332 ! has exposure stimulus sulfamethoxazole [Term] id: ECTO:9000897 name: exposure to sulfathiazole def: "An exposure to sulfathiazole." [] synonym: "exposure to sulfathiazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9337 ! has exposure stimulus sulfathiazole relationship: RO:0002309 CHEBI:9337 ! has exposure stimulus sulfathiazole [Term] id: ECTO:9000898 name: exposure to 2,6-dichlorobenzonitrile def: "An exposure to 2,6-dichlorobenzonitrile." [] synonym: "exposure to 2,6-dichlorobenzonitrile" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:943 ! has exposure stimulus 2,6-dichlorobenzonitrile relationship: RO:0002309 CHEBI:943 ! has exposure stimulus 2,6-dichlorobenzonitrile [Term] id: ECTO:9000899 name: exposure to telmisartan def: "An exposure to telmisartan." [] synonym: "exposure to telmisartan" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9434 ! has exposure stimulus telmisartan relationship: RO:0002309 CHEBI:9434 ! has exposure stimulus telmisartan [Term] id: ECTO:9000900 name: exposure to tramadol def: "An exposure to tramadol." [] synonym: "exposure to tramadol" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9648 ! has exposure stimulus tramadol relationship: RO:0002309 CHEBI:9648 ! has exposure stimulus tramadol [Term] id: ECTO:9000901 name: exposure to trichlopyr def: "An exposure to trichlopyr." [] synonym: "exposure to trichlopyr" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9682 ! has exposure stimulus trichlopyr relationship: RO:0002309 CHEBI:9682 ! has exposure stimulus trichlopyr [Term] id: ECTO:9000902 name: exposure to trimipramine def: "An exposure to trimipramine." [] synonym: "exposure to trimipramine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9738 ! has exposure stimulus trimipramine relationship: RO:0002309 CHEBI:9738 ! has exposure stimulus trimipramine [Term] id: ECTO:9000903 name: exposure to valsartan def: "An exposure to valsartan." [] synonym: "exposure to valsartan" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9927 ! has exposure stimulus valsartan relationship: RO:0002309 CHEBI:9927 ! has exposure stimulus valsartan [Term] id: ECTO:9000904 name: exposure to venlafaxine def: "An exposure to venlafaxine." [] synonym: "exposure to venlafaxine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9943 ! has exposure stimulus venlafaxine relationship: RO:0002309 CHEBI:9943 ! has exposure stimulus venlafaxine [Term] id: ECTO:9000905 name: obsolete verapamil exposure is_obsolete: true replaced_by: ECTO:9000014 [Term] id: ECTO:9000906 name: exposure to phthalate ester def: "An exposure to phthalate ester." [] synonym: "exposure to phthalate ester" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35484 ! has exposure stimulus phthalate ester relationship: RO:0002309 CHEBI:35484 ! has exposure stimulus phthalate ester [Term] id: ECTO:9000907 name: exposure to Heptachlor epoxide def: "An exposure to Heptachlor epoxide." [] synonym: "exposure to Heptachlor epoxide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34786 ! has exposure stimulus Heptachlor epoxide relationship: RO:0002309 CHEBI:34786 ! has exposure stimulus Heptachlor epoxide [Term] id: ECTO:9000908 name: exposure to metallic antimony def: "An exposure to antimony(0)." [] synonym: "exposure to antimony(0)" EXACT [] is_a: ECTO:9000939 ! exposure to antimony intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30304 ! has exposure stimulus antimony(0) relationship: RO:0002309 CHEBI:30304 ! has exposure stimulus antimony(0) [Term] id: ECTO:9000909 name: exposure to elemental thallium def: "An exposure to elemental thallium." [] synonym: "exposure to elemental thallium" EXACT [] is_a: ECTO:9001312 ! exposure to thallium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37113 ! has exposure stimulus elemental thallium relationship: RO:0002309 CHEBI:37113 ! has exposure stimulus elemental thallium [Term] id: ECTO:9000910 name: obsolete uranium molecular entity exposure is_obsolete: true replaced_by: ECTO:9000105 [Term] id: ECTO:9000911 name: exposure to fluorene def: "An exposure to fluorene." [] synonym: "exposure to fluorene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28266 ! has exposure stimulus fluorene relationship: RO:0002309 CHEBI:28266 ! has exposure stimulus fluorene [Term] id: ECTO:9000912 name: exposure to 1,1,1-trichloroethane def: "An exposure to 1,1,1-trichloroethane." [] synonym: "exposure to 1,1,1-trichloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36015 ! has exposure stimulus 1,1,1-trichloroethane relationship: RO:0002309 CHEBI:36015 ! has exposure stimulus 1,1,1-trichloroethane [Term] id: ECTO:9000913 name: exposure to 1,1,2,2-tetrachloroethane def: "An exposure to 1,1,2,2-tetrachloroethane." [] synonym: "exposure to 1,1,2,2-tetrachloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36026 ! has exposure stimulus 1,1,2,2-tetrachloroethane relationship: RO:0002309 CHEBI:36026 ! has exposure stimulus 1,1,2,2-tetrachloroethane [Term] id: ECTO:9000914 name: exposure to 1,1,2-trichloroethane def: "An exposure to 1,1,2-trichloroethane." [] synonym: "exposure to 1,1,2-trichloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36018 ! has exposure stimulus 1,1,2-trichloroethane relationship: RO:0002309 CHEBI:36018 ! has exposure stimulus 1,1,2-trichloroethane [Term] id: ECTO:9000915 name: exposure to 1,1-Dichloroethane def: "An exposure to 1,1-Dichloroethane." [] synonym: "exposure to 1,1-Dichloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81599 ! has exposure stimulus 1,1-Dichloroethane relationship: RO:0002309 CHEBI:81599 ! has exposure stimulus 1,1-Dichloroethane [Term] id: ECTO:9000916 name: exposure to 1,1-dichloroethene def: "An exposure to 1,1-dichloroethene." [] synonym: "exposure to 1,1-dichloroethene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34031 ! has exposure stimulus 1,1-dichloroethene relationship: RO:0002309 CHEBI:34031 ! has exposure stimulus 1,1-dichloroethene [Term] id: ECTO:9000917 name: exposure to 1,2-Dibromo-3-chloropropane def: "An exposure to 1,2-Dibromo-3-chloropropane." [] synonym: "exposure to 1,2-Dibromo-3-chloropropane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34044 ! has exposure stimulus 1,2-Dibromo-3-chloropropane relationship: RO:0002309 CHEBI:34044 ! has exposure stimulus 1,2-Dibromo-3-chloropropane [Term] id: ECTO:9000918 name: exposure to 1,2-dichlorobenzene def: "An exposure to 1,2-dichlorobenzene." [] synonym: "exposure to 1,2-dichlorobenzene" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35290 ! has exposure stimulus 1,2-dichlorobenzene relationship: RO:0002309 CHEBI:35290 ! has exposure stimulus 1,2-dichlorobenzene [Term] id: ECTO:9000919 name: exposure to cis-1,2-dichloroethene def: "An exposure to cis-1,2-dichloroethene." [] synonym: "exposure to cis-1,2-dichloroethene" EXACT [] is_a: ECTO:9001069 ! exposure to 1,2-dichloroethene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28805 ! has exposure stimulus cis-1,2-dichloroethene relationship: RO:0002309 CHEBI:28805 ! has exposure stimulus cis-1,2-dichloroethene [Term] id: ECTO:9000920 name: exposure to trans-1,2-dichloroethene def: "An exposure to trans-1,2-dichloroethene." [] synonym: "exposure to trans-1,2-dichloroethene" EXACT [] is_a: ECTO:9001069 ! exposure to 1,2-dichloroethene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29027 ! has exposure stimulus trans-1,2-dichloroethene relationship: RO:0002309 CHEBI:29027 ! has exposure stimulus trans-1,2-dichloroethene [Term] id: ECTO:9000921 name: exposure to 1,2-Dichloropropane def: "An exposure to rac-1,2-dichloropropane." [] synonym: "exposure to rac-1,2-dichloropropane" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82163 ! has exposure stimulus rac-1,2-dichloropropane relationship: RO:0002309 CHEBI:82163 ! has exposure stimulus rac-1,2-dichloropropane [Term] id: ECTO:9000922 name: exposure to 2,5-Dimethylfuran def: "An exposure to 2,5-dimethylfuran." [] synonym: "exposure to 2,5-dimethylfuran" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:89052 ! has exposure stimulus 2,5-dimethylfuran relationship: RO:0002309 CHEBI:89052 ! has exposure stimulus 2,5-dimethylfuran [Term] id: ECTO:9000923 name: exposure to dibromomethane def: "An exposure to dibromomethane." [] synonym: "exposure to dibromomethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47077 ! has exposure stimulus dibromomethane relationship: RO:0002309 CHEBI:47077 ! has exposure stimulus dibromomethane [Term] id: ECTO:9000924 name: exposure to hexachloroethane def: "An exposure to hexachloroethane." [] synonym: "exposure to hexachloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39227 ! has exposure stimulus hexachloroethane relationship: RO:0002309 CHEBI:39227 ! has exposure stimulus hexachloroethane [Term] id: ECTO:9000925 name: exposure to 2,2',4,4'-Tetrabromodiphenyl ether def: "An exposure to 2,2',4,4'-Tetrabromodiphenyl ether." [] synonym: "exposure to 2,2',4,4'-Tetrabromodiphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81584 ! has exposure stimulus 2,2',4,4'-Tetrabromodiphenyl ether relationship: RO:0002309 CHEBI:81584 ! has exposure stimulus 2,2',4,4'-Tetrabromodiphenyl ether [Term] id: ECTO:9000926 name: exposure to 2,2',4,4',5-Pentabromodiphenyl ether def: "An exposure to 2,4-dibromophenyl 2,4,5-tribromophenyl ether." [] synonym: "exposure to 2,4-dibromophenyl 2,4,5-tribromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81582 ! has exposure stimulus 2,4-dibromophenyl 2,4,5-tribromophenyl ether relationship: RO:0002309 CHEBI:81582 ! has exposure stimulus 2,4-dibromophenyl 2,4,5-tribromophenyl ether [Term] id: ECTO:9000927 name: exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether def: "An exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether." [] synonym: "exposure to 2,2',4,4',5,5'-Hexabromodiphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81534 ! has exposure stimulus 2,2',4,4',5,5'-Hexabromodiphenyl ether relationship: RO:0002309 CHEBI:81534 ! has exposure stimulus 2,2',4,4',5,5'-Hexabromodiphenyl ether [Term] id: ECTO:9000928 name: exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether def: "An exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether." [] synonym: "exposure to 2,2',4,4',5,6'-Hexabromodiphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81535 ! has exposure stimulus 2,2',4,4',5,6'-Hexabromodiphenyl ether relationship: RO:0002309 CHEBI:81535 ! has exposure stimulus 2,2',4,4',5,6'-Hexabromodiphenyl ether [Term] id: ECTO:9000929 name: exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether def: "An exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether." [] synonym: "exposure to 2,2',3,4,4',5',6-Heptabromodiphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81537 ! has exposure stimulus 2,2',3,4,4',5',6-Heptabromodiphenyl ether relationship: RO:0002309 CHEBI:81537 ! has exposure stimulus 2,2',3,4,4',5',6-Heptabromodiphenyl ether [Term] id: ECTO:9000930 name: exposure to paraben def: "An exposure to paraben." [] synonym: "exposure to paraben" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85122 ! has exposure stimulus paraben relationship: RO:0002309 CHEBI:85122 ! has exposure stimulus paraben [Term] id: ECTO:9000931 name: exposure to perchlorate def: "An exposure to perchlorate." [] synonym: "exposure to perchlorate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49706 ! has exposure stimulus perchlorate relationship: RO:0002309 CHEBI:49706 ! has exposure stimulus perchlorate [Term] id: ECTO:9000932 name: exposure to daidzein def: "An exposure to daidzein." [] synonym: "exposure to daidzein" EXACT [] is_a: ECTO:9000231 ! exposure to hydroxyisoflavone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28197 ! has exposure stimulus daidzein relationship: RO:0002309 CHEBI:28197 ! has exposure stimulus daidzein [Term] id: ECTO:9000933 name: exposure to Enterodiol def: "An exposure to Enterodiol." [] synonym: "exposure to Enterodiol" EXACT [] is_a: ECTO:9000345 ! exposure to phenylpropanoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81556 ! has exposure stimulus Enterodiol relationship: RO:0002309 CHEBI:81556 ! has exposure stimulus Enterodiol [Term] id: ECTO:9000934 name: exposure to Enterolactone def: "An exposure to Enterolactone." [] synonym: "exposure to Enterolactone" EXACT [] is_a: ECTO:9000345 ! exposure to phenylpropanoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81555 ! has exposure stimulus Enterolactone relationship: RO:0002309 CHEBI:81555 ! has exposure stimulus Enterolactone [Term] id: ECTO:9000935 name: exposure to equol def: "An exposure to equol." [] synonym: "exposure to equol" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34741 ! has exposure stimulus equol relationship: RO:0002309 CHEBI:34741 ! has exposure stimulus equol [Term] id: ECTO:9000936 name: exposure to O-Desmethylangolensin def: "An exposure to O-Desmethylangolensin." [] synonym: "exposure to O-Desmethylangolensin" EXACT [] is_a: ECTO:9000251 ! exposure to stilbenoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88902 ! has exposure stimulus O-Desmethylangolensin relationship: RO:0002309 CHEBI:88902 ! has exposure stimulus O-Desmethylangolensin [Term] id: ECTO:9000937 name: exposure to Arsenobetaine def: "An exposure to Arsenobetaine." [] synonym: "exposure to Arsenobetaine" EXACT [] is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82392 ! has exposure stimulus Arsenobetaine relationship: RO:0002309 CHEBI:82392 ! has exposure stimulus Arsenobetaine [Term] id: ECTO:9000938 name: exposure to dimethylarsinic acid def: "An exposure to dimethylarsinic acid." [] synonym: "exposure to dimethylarsinic acid" EXACT [] is_a: ECTO:9000534 ! exposure to organoarsenic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48765 ! has exposure stimulus dimethylarsinic acid relationship: RO:0002309 CHEBI:48765 ! has exposure stimulus dimethylarsinic acid [Term] id: ECTO:9000939 name: exposure to antimony def: "An exposure to antimony molecular entity." [] synonym: "exposure to antimony molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36919 ! has exposure stimulus antimony molecular entity relationship: RO:0002309 CHEBI:36919 ! has exposure stimulus antimony molecular entity [Term] id: ECTO:9000940 name: exposure to barium def: "An exposure to barium molecular entity." [] synonym: "exposure to barium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37133 ! has exposure stimulus barium molecular entity relationship: RO:0002309 CHEBI:37133 ! has exposure stimulus barium molecular entity [Term] id: ECTO:9000941 name: exposure to beryllium def: "An exposure to beryllium molecular entity." [] synonym: "exposure to beryllium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33780 ! has exposure stimulus beryllium molecular entity relationship: RO:0002309 CHEBI:33780 ! has exposure stimulus beryllium molecular entity [Term] id: ECTO:9000943 name: exposure to cobalt def: "An exposure to cobalt molecular entity." [] synonym: "exposure to cobalt molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33888 ! has exposure stimulus cobalt molecular entity relationship: RO:0002309 CHEBI:33888 ! has exposure stimulus cobalt molecular entity [Term] id: ECTO:9000944 name: exposure to copper def: "An exposure to copper molecular entity." [] synonym: "exposure to copper molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23377 ! has exposure stimulus copper molecular entity relationship: RO:0002309 CHEBI:23377 ! has exposure stimulus copper molecular entity [Term] id: ECTO:9000945 name: exposure to lead def: "An exposure to lead molecular entity." [] synonym: "exposure to lead molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33585 ! has exposure stimulus lead molecular entity relationship: RO:0002309 CHEBI:33585 ! has exposure stimulus lead molecular entity [Term] id: ECTO:9000946 name: exposure to manganese def: "An exposure to manganese molecular entity." [] synonym: "exposure to manganese molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25154 ! has exposure stimulus manganese molecular entity relationship: RO:0002309 CHEBI:25154 ! has exposure stimulus manganese molecular entity [Term] id: ECTO:9000948 name: exposure to molybdenum def: "An exposure to molybdenum molecular entity." [] synonym: "exposure to molybdenum molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25370 ! has exposure stimulus molybdenum molecular entity relationship: RO:0002309 CHEBI:25370 ! has exposure stimulus molybdenum molecular entity [Term] id: ECTO:9000949 name: exposure to platinum def: "An exposure to platinum molecular entity." [] synonym: "exposure to platinum molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33749 ! has exposure stimulus platinum molecular entity relationship: RO:0002309 CHEBI:33749 ! has exposure stimulus platinum molecular entity [Term] id: ECTO:9000950 name: exposure to selenium def: "An exposure to selenium molecular entity." [] synonym: "exposure to selenium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26628 ! has exposure stimulus selenium molecular entity relationship: RO:0002309 CHEBI:26628 ! has exposure stimulus selenium molecular entity [Term] id: ECTO:9000951 name: exposure to strontium def: "An exposure to strontium molecular entity." [] synonym: "exposure to strontium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37131 ! has exposure stimulus strontium molecular entity relationship: RO:0002309 CHEBI:37131 ! has exposure stimulus strontium molecular entity [Term] id: ECTO:9000952 name: exposure to tin def: "An exposure to tin molecular entity." [] synonym: "exposure to tin molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27008 ! has exposure stimulus tin molecular entity relationship: RO:0002309 CHEBI:27008 ! has exposure stimulus tin molecular entity [Term] id: ECTO:9000953 name: exposure to tungsten def: "An exposure to tungsten molecular entity." [] synonym: "exposure to tungsten molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33742 ! has exposure stimulus tungsten molecular entity relationship: RO:0002309 CHEBI:33742 ! has exposure stimulus tungsten molecular entity [Term] id: ECTO:9000954 name: exposure to zinc def: "An exposure to zinc molecular entity." [] synonym: "exposure to zinc molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27364 ! has exposure stimulus zinc molecular entity relationship: RO:0002309 CHEBI:27364 ! has exposure stimulus zinc molecular entity [Term] id: ECTO:9000955 name: exposure to methylparaben def: "An exposure to methylparaben." [] synonym: "exposure to methylparaben" EXACT [] is_a: ECTO:9000930 ! exposure to paraben intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31835 ! has exposure stimulus methylparaben relationship: RO:0002309 CHEBI:31835 ! has exposure stimulus methylparaben [Term] id: ECTO:9000956 name: exposure to methylarsonic acid def: "An exposure to methylarsonic acid." [] synonym: "exposure to methylarsonic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000534 ! exposure to organoarsenic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29852 ! has exposure stimulus methylarsonic acid relationship: RO:0002309 CHEBI:29852 ! has exposure stimulus methylarsonic acid [Term] id: ECTO:9000957 name: exposure to abamectin def: "An exposure to abamectin." [] synonym: "exposure to abamectin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39214 ! has exposure stimulus abamectin relationship: RO:0002309 CHEBI:39214 ! has exposure stimulus abamectin [Term] id: ECTO:9000958 name: exposure to acephate def: "An exposure to acephate." [] synonym: "exposure to acephate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34520 ! has exposure stimulus acephate relationship: RO:0002309 CHEBI:34520 ! has exposure stimulus acephate [Term] id: ECTO:9000959 name: exposure to acetaldehyde def: "An exposure to acetaldehyde." [] synonym: "exposure to acetaldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15343 ! has exposure stimulus acetaldehyde relationship: RO:0002309 CHEBI:15343 ! has exposure stimulus acetaldehyde [Term] id: ECTO:9000960 name: exposure to acetamide def: "An exposure to acetamide." [] synonym: "exposure to acetamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27856 ! has exposure stimulus acetamide relationship: RO:0002309 CHEBI:27856 ! has exposure stimulus acetamide [Term] id: ECTO:9000961 name: exposure to acetonitrile def: "An exposure to acetonitrile." [] synonym: "exposure to acetonitrile" EXACT [] is_a: ECTO:9001621 ! exposure to volatile organic compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38472 ! has exposure stimulus acetonitrile relationship: RO:0002309 CHEBI:38472 ! has exposure stimulus acetonitrile [Term] id: ECTO:9000962 name: exposure to acetophenone def: "An exposure to acetophenone." [] synonym: "exposure to acetophenone" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27632 ! has exposure stimulus acetophenone relationship: RO:0002309 CHEBI:27632 ! has exposure stimulus acetophenone [Term] id: ECTO:9000963 name: exposure to 2-acetamidofluorene def: "An exposure to 2-acetamidofluorene." [] synonym: "exposure to 2-acetamidofluorene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17356 ! has exposure stimulus 2-acetamidofluorene relationship: RO:0002309 CHEBI:17356 ! has exposure stimulus 2-acetamidofluorene [Term] id: ECTO:9000964 name: exposure to acrolein def: "An exposure to acrolein." [] synonym: "exposure to acrolein" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15368 ! has exposure stimulus acrolein relationship: RO:0002309 CHEBI:15368 ! has exposure stimulus acrolein [Term] id: ECTO:9000965 name: exposure to acrylic acid def: "An exposure to acrylic acid." [] synonym: "exposure to acrylic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18308 ! has exposure stimulus acrylic acid relationship: RO:0002309 CHEBI:18308 ! has exposure stimulus acrylic acid [Term] id: ECTO:9000966 name: exposure to acrylonitrile def: "An exposure to acrylonitrile." [] synonym: "exposure to acrylonitrile" EXACT [] is_a: ECTO:9001621 ! exposure to volatile organic compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28217 ! has exposure stimulus acrylonitrile relationship: RO:0002309 CHEBI:28217 ! has exposure stimulus acrylonitrile [Term] id: ECTO:9000967 name: exposure to aldicarb def: "An exposure to aldicarb." [] synonym: "exposure to aldicarb" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2555 ! has exposure stimulus aldicarb relationship: RO:0002309 CHEBI:2555 ! has exposure stimulus aldicarb [Term] id: ECTO:9000968 name: exposure to (+)-trans-allethrin def: "An exposure to (+)-trans-allethrin." [] synonym: "exposure to (+)-trans-allethrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39118 ! has exposure stimulus (+)-trans-allethrin relationship: RO:0002309 CHEBI:39118 ! has exposure stimulus (+)-trans-allethrin [Term] id: ECTO:9000969 name: exposure to allyl alcohol def: "An exposure to allyl alcohol." [] synonym: "exposure to allyl alcohol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16605 ! has exposure stimulus allyl alcohol relationship: RO:0002309 CHEBI:16605 ! has exposure stimulus allyl alcohol [Term] id: ECTO:9000970 name: exposure to Allyl chloride def: "An exposure to Allyl chloride." [] synonym: "exposure to Allyl chloride" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82379 ! has exposure stimulus Allyl chloride relationship: RO:0002309 CHEBI:82379 ! has exposure stimulus Allyl chloride [Term] id: ECTO:9000971 name: exposure to aluminium metal def: "An exposure to aluminium(0)." [] synonym: "exposure to aluminium(0)" EXACT [] is_a: ECTO:9000029 ! exposure to aluminum is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33629 ! has exposure stimulus aluminium(0) relationship: RO:0002309 CHEBI:33629 ! has exposure stimulus aluminium(0) [Term] id: ECTO:9000972 name: exposure to aluminium phosphide def: "An exposure to aluminium phosphide." [] synonym: "exposure to aluminium phosphide" EXACT [] is_a: ECTO:9000029 ! exposure to aluminum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38495 ! has exposure stimulus aluminium phosphide relationship: RO:0002309 CHEBI:38495 ! has exposure stimulus aluminium phosphide [Term] id: ECTO:9000973 name: exposure to aluminium oxide def: "An exposure to aluminium oxide." [] synonym: "exposure to aluminium oxide" EXACT [] is_a: ECTO:9000030 ! exposure to aluminum oxides intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30187 ! has exposure stimulus aluminium oxide relationship: RO:0002309 CHEBI:30187 ! has exposure stimulus aluminium oxide [Term] id: ECTO:9000974 name: exposure to 2-Aminoanthraquinone def: "An exposure to 2-Aminoanthraquinone." [] synonym: "exposure to 2-Aminoanthraquinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001246 ! exposure to quinone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34258 ! has exposure stimulus 2-Aminoanthraquinone relationship: RO:0002309 CHEBI:34258 ! has exposure stimulus 2-Aminoanthraquinone [Term] id: ECTO:9000975 name: exposure to 4-(phenylazo)aniline def: "An exposure to 4-(phenylazo)aniline." [] synonym: "exposure to 4-(phenylazo)aniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:233869 ! has exposure stimulus 4-(phenylazo)aniline relationship: RO:0002309 CHEBI:233869 ! has exposure stimulus 4-(phenylazo)aniline [Term] id: ECTO:9000976 name: exposure to biphenyl-4-amine def: "An exposure to biphenyl-4-amine." [] synonym: "exposure to biphenyl-4-amine" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:1784 ! has exposure stimulus biphenyl-4-amine relationship: RO:0002309 CHEBI:1784 ! has exposure stimulus biphenyl-4-amine [Term] id: ECTO:9000977 name: exposure to 1-Amino-2-methylanthraquinone def: "An exposure to 1-Amino-2-methylanthraquinone." [] synonym: "exposure to 1-Amino-2-methylanthraquinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001246 ! exposure to quinone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82382 ! has exposure stimulus 1-Amino-2-methylanthraquinone relationship: RO:0002309 CHEBI:82382 ! has exposure stimulus 1-Amino-2-methylanthraquinone [Term] id: ECTO:9000978 name: exposure to 1-Amino-2,4-dibromoanthraquinone def: "An exposure to 1-Amino-2,4-dibromoanthraquinone." [] synonym: "exposure to 1-Amino-2,4-dibromoanthraquinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001246 ! exposure to quinone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82304 ! has exposure stimulus 1-Amino-2,4-dibromoanthraquinone relationship: RO:0002309 CHEBI:82304 ! has exposure stimulus 1-Amino-2,4-dibromoanthraquinone [Term] id: ECTO:9000979 name: exposure to anilazine def: "An exposure to anilazine." [] synonym: "exposure to anilazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82076 ! has exposure stimulus anilazine relationship: RO:0002309 CHEBI:82076 ! has exposure stimulus anilazine [Term] id: ECTO:9000980 name: exposure to aniline def: "An exposure to aniline." [] synonym: "exposure to aniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17296 ! has exposure stimulus aniline relationship: RO:0002309 CHEBI:17296 ! has exposure stimulus aniline [Term] id: ECTO:9000981 name: exposure to ortho-Anisidine def: "An exposure to o-anisidine." [] synonym: "exposure to o-anisidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82288 ! has exposure stimulus o-anisidine relationship: RO:0002309 CHEBI:82288 ! has exposure stimulus o-anisidine [Term] id: ECTO:9000982 name: exposure to anthracene def: "An exposure to anthracene." [] synonym: "exposure to anthracene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35298 ! has exposure stimulus anthracene relationship: RO:0002309 CHEBI:35298 ! has exposure stimulus anthracene [Term] id: ECTO:9000985 name: exposure to bendiocarb def: "An exposure to bendiocarb." [] synonym: "exposure to bendiocarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34556 ! has exposure stimulus bendiocarb relationship: RO:0002309 CHEBI:34556 ! has exposure stimulus bendiocarb [Term] id: ECTO:9000986 name: exposure to Benzal chloride def: "An exposure to Benzal chloride." [] synonym: "exposure to Benzal chloride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82273 ! has exposure stimulus Benzal chloride relationship: RO:0002309 CHEBI:82273 ! has exposure stimulus Benzal chloride [Term] id: ECTO:9000987 name: exposure to benzamide def: "An exposure to benzamide." [] synonym: "exposure to benzamide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28179 ! has exposure stimulus benzamide relationship: RO:0002309 CHEBI:28179 ! has exposure stimulus benzamide [Term] id: ECTO:9000988 name: exposure to benzidine def: "An exposure to benzidine." [] synonym: "exposure to benzidine" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:80495 ! has exposure stimulus benzidine relationship: RO:0002309 CHEBI:80495 ! has exposure stimulus benzidine [Term] id: ECTO:9000989 name: exposure to Benzotrichloride def: "An exposure to (trichloromethyl)benzene." [] synonym: "exposure to (trichloromethyl)benzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82274 ! has exposure stimulus (trichloromethyl)benzene relationship: RO:0002309 CHEBI:82274 ! has exposure stimulus (trichloromethyl)benzene [Term] id: ECTO:9000990 name: exposure to Benzoyl chloride def: "An exposure to benzoyl chloride." [] synonym: "exposure to benzoyl chloride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82275 ! has exposure stimulus benzoyl chloride relationship: RO:0002309 CHEBI:82275 ! has exposure stimulus benzoyl chloride [Term] id: ECTO:9000991 name: exposure to Benzoyl peroxide def: "An exposure to Benzoyl peroxide." [] synonym: "exposure to Benzoyl peroxide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82405 ! has exposure stimulus Benzoyl peroxide relationship: RO:0002309 CHEBI:82405 ! has exposure stimulus Benzoyl peroxide [Term] id: ECTO:9000992 name: exposure to benzyl chloride def: "An exposure to benzyl chloride." [] synonym: "exposure to benzyl chloride" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:615597 ! has exposure stimulus benzyl chloride relationship: RO:0002309 CHEBI:615597 ! has exposure stimulus benzyl chloride [Term] id: ECTO:9000994 name: exposure to bifenthrin def: "An exposure to bifenthrin." [] synonym: "exposure to bifenthrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3093 ! has exposure stimulus bifenthrin relationship: RO:0002309 CHEBI:3093 ! has exposure stimulus bifenthrin [Term] id: ECTO:9000995 name: exposure to Bis(chloromethyl) ether def: "An exposure to bis(chloromethyl) ether." [] synonym: "exposure to bis(chloromethyl) ether" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82270 ! has exposure stimulus bis(chloromethyl) ether relationship: RO:0002309 CHEBI:82270 ! has exposure stimulus bis(chloromethyl) ether [Term] id: ECTO:9000996 name: exposure to Bis(2-chloro-1-methylethyl)ether def: "An exposure to Bis(2-chloro-1-methylethyl)ether." [] synonym: "exposure to Bis(2-chloro-1-methylethyl)ether" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82409 ! has exposure stimulus Bis(2-chloro-1-methylethyl)ether relationship: RO:0002309 CHEBI:82409 ! has exposure stimulus Bis(2-chloro-1-methylethyl)ether [Term] id: ECTO:9000997 name: exposure to tributylstannane def: "An exposure to tributylstannane." [] synonym: "exposure to tributylstannane" EXACT [] is_a: ECTO:9001388 ! exposure to organotin compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27086 ! has exposure stimulus tributylstannane relationship: RO:0002309 CHEBI:27086 ! has exposure stimulus tributylstannane [Term] id: ECTO:9000998 name: exposure to boron trifluoride def: "An exposure to boron trifluoride." [] synonym: "exposure to boron trifluoride" EXACT [] is_a: ECTO:9000173 ! exposure to boron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33093 ! has exposure stimulus boron trifluoride relationship: RO:0002309 CHEBI:33093 ! has exposure stimulus boron trifluoride [Term] id: ECTO:9000999 name: exposure to bromochlorodifluoromethane def: "An exposure to bromochlorodifluoromethane." [] synonym: "exposure to bromochlorodifluoromethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84698 ! has exposure stimulus bromochlorodifluoromethane relationship: RO:0002309 CHEBI:84698 ! has exposure stimulus bromochlorodifluoromethane [Term] id: ECTO:9001000 name: exposure to bromoform def: "An exposure to bromoform." [] synonym: "exposure to bromoform" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38682 ! has exposure stimulus bromoform relationship: RO:0002309 CHEBI:38682 ! has exposure stimulus bromoform [Term] id: ECTO:9001001 name: obsolete bromomethane exposure is_obsolete: true replaced_by: ECTO:9000098 [Term] id: ECTO:9001002 name: exposure to Brucine def: "An exposure to brucine." [] synonym: "exposure to brucine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3193 ! has exposure stimulus brucine relationship: RO:0002309 CHEBI:3193 ! has exposure stimulus brucine [Term] id: ECTO:9001003 name: exposure to buta-1,3-diene def: "An exposure to buta-1,3-diene." [] synonym: "exposure to buta-1,3-diene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39478 ! has exposure stimulus buta-1,3-diene relationship: RO:0002309 CHEBI:39478 ! has exposure stimulus buta-1,3-diene [Term] id: ECTO:9001004 name: exposure to butyl acrylate def: "An exposure to butyl acrylate." [] synonym: "exposure to butyl acrylate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3245 ! has exposure stimulus butyl acrylate relationship: RO:0002309 CHEBI:3245 ! has exposure stimulus butyl acrylate [Term] id: ECTO:9001005 name: exposure to butan-2-ol def: "An exposure to butan-2-ol." [] synonym: "exposure to butan-2-ol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35687 ! has exposure stimulus butan-2-ol relationship: RO:0002309 CHEBI:35687 ! has exposure stimulus butan-2-ol [Term] id: ECTO:9001006 name: exposure to tert-butanol def: "An exposure to tert-butanol." [] synonym: "exposure to tert-butanol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:45895 ! has exposure stimulus tert-butanol relationship: RO:0002309 CHEBI:45895 ! has exposure stimulus tert-butanol [Term] id: ECTO:9001007 name: exposure to butanal def: "An exposure to butanal." [] synonym: "exposure to butanal" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15743 ! has exposure stimulus butanal relationship: RO:0002309 CHEBI:15743 ! has exposure stimulus butanal [Term] id: ECTO:9001009 name: exposure to calcium cyanamide def: "An exposure to calcium cyanamide." [] synonym: "exposure to calcium cyanamide" EXACT [] is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64301 ! has exposure stimulus calcium cyanamide relationship: RO:0002309 CHEBI:64301 ! has exposure stimulus calcium cyanamide [Term] id: ECTO:9001010 name: exposure to captan def: "An exposure to captan." [] synonym: "exposure to captan" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34608 ! has exposure stimulus captan relationship: RO:0002309 CHEBI:34608 ! has exposure stimulus captan [Term] id: ECTO:9001011 name: exposure to carbaryl def: "An exposure to carbaryl." [] synonym: "exposure to carbaryl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3390 ! has exposure stimulus carbaryl relationship: RO:0002309 CHEBI:3390 ! has exposure stimulus carbaryl [Term] id: ECTO:9001012 name: exposure to carbofuran def: "An exposure to carbofuran." [] synonym: "exposure to carbofuran" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34611 ! has exposure stimulus carbofuran relationship: RO:0002309 CHEBI:34611 ! has exposure stimulus carbofuran [Term] id: ECTO:9001013 name: exposure to carbon disulfide def: "An exposure to carbon disulfide." [] synonym: "exposure to carbon disulfide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23012 ! has exposure stimulus carbon disulfide relationship: RO:0002309 CHEBI:23012 ! has exposure stimulus carbon disulfide [Term] id: ECTO:9001014 name: exposure to carbonyl sulfide def: "An exposure to carbonyl sulfide." [] synonym: "exposure to carbonyl sulfide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16573 ! has exposure stimulus carbonyl sulfide relationship: RO:0002309 CHEBI:16573 ! has exposure stimulus carbonyl sulfide [Term] id: ECTO:9001015 name: exposure to carboxin def: "An exposure to carboxin." [] synonym: "exposure to carboxin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3405 ! has exposure stimulus carboxin relationship: RO:0002309 CHEBI:3405 ! has exposure stimulus carboxin [Term] id: ECTO:9001016 name: exposure to catechol def: "An exposure to catechol." [] synonym: "exposure to catechol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18135 ! has exposure stimulus catechol relationship: RO:0002309 CHEBI:18135 ! has exposure stimulus catechol [Term] id: ECTO:9001017 name: exposure to quinomethionate def: "An exposure to quinomethionate." [] synonym: "exposure to quinomethionate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34620 ! has exposure stimulus quinomethionate relationship: RO:0002309 CHEBI:34620 ! has exposure stimulus quinomethionate [Term] id: ECTO:9001018 name: exposure to Chloramben def: "An exposure to Chloramben." [] synonym: "exposure to Chloramben" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82183 ! has exposure stimulus Chloramben relationship: RO:0002309 CHEBI:82183 ! has exposure stimulus Chloramben [Term] id: ECTO:9001019 name: exposure to chlorendic acid def: "An exposure to chlorendic acid." [] synonym: "exposure to chlorendic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76603 ! has exposure stimulus chlorendic acid relationship: RO:0002309 CHEBI:76603 ! has exposure stimulus chlorendic acid [Term] id: ECTO:9001020 name: exposure to chlorimuron-ethyl def: "An exposure to chlorimuron-ethyl." [] synonym: "exposure to chlorimuron-ethyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47319 ! has exposure stimulus chlorimuron-ethyl relationship: RO:0002309 CHEBI:47319 ! has exposure stimulus chlorimuron-ethyl [Term] id: ECTO:9001021 name: obsolete exposure to chlorine atom is_obsolete: true replaced_by: ECTO:9000077 [Term] id: ECTO:9001022 name: exposure to chlorine dioxide def: "An exposure to chlorine dioxide." [] synonym: "exposure to chlorine dioxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52357 ! has exposure stimulus chlorine dioxide relationship: RO:0002309 CHEBI:52357 ! has exposure stimulus chlorine dioxide [Term] id: ECTO:9001024 name: exposure to quaternium-15 def: "An exposure to quaternium-15." [] synonym: "exposure to quaternium-15" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59607 ! has exposure stimulus quaternium-15 relationship: RO:0002309 CHEBI:59607 ! has exposure stimulus quaternium-15 [Term] id: ECTO:9001025 name: exposure to 4-chloroaniline def: "An exposure to 4-chloroaniline." [] synonym: "exposure to 4-chloroaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:20331 ! has exposure stimulus 4-chloroaniline relationship: RO:0002309 CHEBI:20331 ! has exposure stimulus 4-chloroaniline [Term] id: ECTO:9001026 name: exposure to Chlorobenzilate def: "An exposure to Chlorobenzilate." [] synonym: "exposure to Chlorobenzilate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34626 ! has exposure stimulus Chlorobenzilate relationship: RO:0002309 CHEBI:34626 ! has exposure stimulus Chlorobenzilate [Term] id: ECTO:9001027 name: exposure to Chlorodifluoromethane def: "An exposure to Chlorodifluoromethane." [] synonym: "exposure to Chlorodifluoromethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82417 ! has exposure stimulus Chlorodifluoromethane relationship: RO:0002309 CHEBI:82417 ! has exposure stimulus Chlorodifluoromethane [Term] id: ECTO:9001030 name: exposure to chloromethane def: "An exposure to chloromethane." [] synonym: "exposure to chloromethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36014 ! has exposure stimulus chloromethane relationship: RO:0002309 CHEBI:36014 ! has exposure stimulus chloromethane [Term] id: ECTO:9001031 name: exposure to Chloromethyl methyl ether def: "An exposure to Chloromethyl methyl ether." [] synonym: "exposure to Chloromethyl methyl ether" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82271 ! has exposure stimulus Chloromethyl methyl ether relationship: RO:0002309 CHEBI:82271 ! has exposure stimulus Chloromethyl methyl ether [Term] id: ECTO:9001032 name: exposure to chloropicrin def: "An exposure to chloropicrin." [] synonym: "exposure to chloropicrin" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39285 ! has exposure stimulus chloropicrin relationship: RO:0002309 CHEBI:39285 ! has exposure stimulus chloropicrin [Term] id: ECTO:9001034 name: exposure to chlorothalonil def: "An exposure to chlorothalonil." [] synonym: "exposure to chlorothalonil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3639 ! has exposure stimulus chlorothalonil relationship: RO:0002309 CHEBI:3639 ! has exposure stimulus chlorothalonil [Term] id: ECTO:9001035 name: obsolete chromium molecular entity exposure is_obsolete: true replaced_by: ECTO:9000037 [Term] id: ECTO:9001036 name: exposure to Guinea Green B def: "An exposure to Guinea Green B." [] synonym: "exposure to Guinea Green B" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82471 ! has exposure stimulus Guinea Green B relationship: RO:0002309 CHEBI:82471 ! has exposure stimulus Guinea Green B [Term] id: ECTO:9001037 name: exposure to Sudan II def: "An exposure to Sudan II." [] synonym: "exposure to Sudan II" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82534 ! has exposure stimulus Sudan II relationship: RO:0002309 CHEBI:82534 ! has exposure stimulus Sudan II [Term] id: ECTO:9001038 name: exposure to ortho-Aminoazotoluene def: "An exposure to ortho-Aminoazotoluene." [] synonym: "exposure to ortho-Aminoazotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82285 ! has exposure stimulus ortho-Aminoazotoluene relationship: RO:0002309 CHEBI:82285 ! has exposure stimulus ortho-Aminoazotoluene [Term] id: ECTO:9001039 name: exposure to Sudan I def: "An exposure to Sudan I." [] synonym: "exposure to Sudan I" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30958 ! has exposure stimulus Sudan I relationship: RO:0002309 CHEBI:30958 ! has exposure stimulus Sudan I [Term] id: ECTO:9001040 name: exposure to auramine O free base def: "An exposure to auramine O free base." [] synonym: "exposure to auramine O free base" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51874 ! has exposure stimulus auramine O free base relationship: RO:0002309 CHEBI:51874 ! has exposure stimulus auramine O free base [Term] id: ECTO:9001041 name: exposure to Vat Yellow 4 def: "An exposure to Vat Yellow 4." [] synonym: "exposure to Vat Yellow 4" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82548 ! has exposure stimulus Vat Yellow 4 relationship: RO:0002309 CHEBI:82548 ! has exposure stimulus Vat Yellow 4 [Term] id: ECTO:9001042 name: obsolete exposure to cobalt atom is_obsolete: true replaced_by: ECTO:9000943 [Term] id: ECTO:9001043 name: exposure to para-Cresidine def: "An exposure to para-Cresidine." [] synonym: "exposure to para-Cresidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82307 ! has exposure stimulus para-Cresidine relationship: RO:0002309 CHEBI:82307 ! has exposure stimulus para-Cresidine [Term] id: ECTO:9001044 name: exposure to m-cresol def: "An exposure to m-cresol." [] synonym: "exposure to m-cresol" EXACT [] is_a: ECTO:9001047 ! exposure to cresol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17231 ! has exposure stimulus m-cresol relationship: RO:0002309 CHEBI:17231 ! has exposure stimulus m-cresol [Term] id: ECTO:9001045 name: exposure to o-cresol def: "An exposure to o-cresol." [] synonym: "exposure to o-cresol" EXACT [] is_a: ECTO:9001047 ! exposure to cresol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28054 ! has exposure stimulus o-cresol relationship: RO:0002309 CHEBI:28054 ! has exposure stimulus o-cresol [Term] id: ECTO:9001046 name: exposure to p-cresol def: "An exposure to p-cresol." [] synonym: "exposure to p-cresol" EXACT [] is_a: ECTO:9001047 ! exposure to cresol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17847 ! has exposure stimulus p-cresol relationship: RO:0002309 CHEBI:17847 ! has exposure stimulus p-cresol [Term] id: ECTO:9001047 name: exposure to cresol def: "An exposure to cresol." [] synonym: "exposure to cresol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25399 ! has exposure stimulus cresol relationship: RO:0002309 CHEBI:25399 ! has exposure stimulus cresol [Term] id: ECTO:9001048 name: exposure to crotonaldehyde def: "An exposure to crotonaldehyde." [] synonym: "exposure to crotonaldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41607 ! has exposure stimulus crotonaldehyde relationship: RO:0002309 CHEBI:41607 ! has exposure stimulus crotonaldehyde [Term] id: ECTO:9001049 name: exposure to Cycloate def: "An exposure to Cycloate." [] synonym: "exposure to Cycloate" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81955 ! has exposure stimulus Cycloate relationship: RO:0002309 CHEBI:81955 ! has exposure stimulus Cycloate [Term] id: ECTO:9001050 name: exposure to cyclohexane def: "An exposure to cyclohexane." [] synonym: "exposure to cyclohexane" EXACT [] is_a: ECTO:9000199 ! exposure to cycloalkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29005 ! has exposure stimulus cyclohexane relationship: RO:0002309 CHEBI:29005 ! has exposure stimulus cyclohexane [Term] id: ECTO:9001051 name: exposure to cyclohexanol def: "An exposure to cyclohexanol." [] synonym: "exposure to cyclohexanol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18099 ! has exposure stimulus cyclohexanol relationship: RO:0002309 CHEBI:18099 ! has exposure stimulus cyclohexanol [Term] id: ECTO:9001052 name: obsolete cyfluthrin exposure is_obsolete: true replaced_by: ECTO:9000122 [Term] id: ECTO:9001053 name: exposure to cyhalothrin def: "An exposure to cyhalothrin." [] synonym: "exposure to cyhalothrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4035 ! has exposure stimulus cyhalothrin relationship: RO:0002309 CHEBI:4035 ! has exposure stimulus cyhalothrin [Term] id: ECTO:9001054 name: exposure to (2,4-dichlorophenoxy)acetate def: "An exposure to (2,4-dichlorophenoxy)acetate." [] synonym: "exposure to (2,4-dichlorophenoxy)acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:19351 ! has exposure stimulus (2,4-dichlorophenoxy)acetate relationship: RO:0002309 CHEBI:19351 ! has exposure stimulus (2,4-dichlorophenoxy)acetate [Term] id: ECTO:9001055 name: exposure to dazomet def: "An exposure to dazomet." [] synonym: "exposure to dazomet" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75212 ! has exposure stimulus dazomet relationship: RO:0002309 CHEBI:75212 ! has exposure stimulus dazomet [Term] id: ECTO:9001056 name: exposure to 2,4-DB def: "An exposure to 2,4-DB." [] synonym: "exposure to 2,4-DB" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73173 ! has exposure stimulus 2,4-DB relationship: RO:0002309 CHEBI:73173 ! has exposure stimulus 2,4-DB [Term] id: ECTO:9001057 name: exposure to decabromodiphenyl ether def: "An exposure to decabromodiphenyl ether." [] synonym: "exposure to decabromodiphenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82436 ! has exposure stimulus decabromodiphenyl ether relationship: RO:0002309 CHEBI:82436 ! has exposure stimulus decabromodiphenyl ether [Term] id: ECTO:9001058 name: exposure to 2,4-Diaminoanisole def: "An exposure to 2,4-Diaminoanisole." [] synonym: "exposure to 2,4-Diaminoanisole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82309 ! has exposure stimulus 2,4-Diaminoanisole relationship: RO:0002309 CHEBI:82309 ! has exposure stimulus 2,4-Diaminoanisole [Term] id: ECTO:9001059 name: exposure to 2,4-diaminotoluene def: "An exposure to 2,4-diaminotoluene." [] synonym: "exposure to 2,4-diaminotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34237 ! has exposure stimulus 2,4-diaminotoluene relationship: RO:0002309 CHEBI:34237 ! has exposure stimulus 2,4-diaminotoluene [Term] id: ECTO:9001060 name: exposure to diazomethane def: "An exposure to diazomethane." [] synonym: "exposure to diazomethane" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73716 ! has exposure stimulus diazomethane relationship: RO:0002309 CHEBI:73716 ! has exposure stimulus diazomethane [Term] id: ECTO:9001061 name: exposure to dibenzofuran def: "An exposure to dibenzofuran." [] synonym: "exposure to dibenzofuran" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28145 ! has exposure stimulus dibenzofuran relationship: RO:0002309 CHEBI:28145 ! has exposure stimulus dibenzofuran [Term] id: ECTO:9001063 name: exposure to 2,6-dichloro-4-nitroaniline def: "An exposure to 2,6-dichloro-4-nitroaniline." [] synonym: "exposure to 2,6-dichloro-4-nitroaniline" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27864 ! has exposure stimulus 2,6-dichloro-4-nitroaniline relationship: RO:0002309 CHEBI:27864 ! has exposure stimulus 2,6-dichloro-4-nitroaniline [Term] id: ECTO:9001064 name: exposure to 1,3-dichlorobenzene def: "An exposure to 1,3-dichlorobenzene." [] synonym: "exposure to 1,3-dichlorobenzene" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36693 ! has exposure stimulus 1,3-dichlorobenzene relationship: RO:0002309 CHEBI:36693 ! has exposure stimulus 1,3-dichlorobenzene [Term] id: ECTO:9001065 name: exposure to 1,4-dichlorobenzene def: "An exposure to 1,4-dichlorobenzene." [] synonym: "exposure to 1,4-dichlorobenzene" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28618 ! has exposure stimulus 1,4-dichlorobenzene relationship: RO:0002309 CHEBI:28618 ! has exposure stimulus 1,4-dichlorobenzene [Term] id: ECTO:9001067 name: exposure to 3,3'-Dichlorobenzidine def: "An exposure to 3,3'-Dichlorobenzidine." [] synonym: "exposure to 3,3'-Dichlorobenzidine" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82315 ! has exposure stimulus 3,3'-Dichlorobenzidine relationship: RO:0002309 CHEBI:82315 ! has exposure stimulus 3,3'-Dichlorobenzidine [Term] id: ECTO:9001068 name: exposure to trans-1,4-Dichlorobutene def: "An exposure to trans-1,4-Dichlorobutene." [] synonym: "exposure to trans-1,4-Dichlorobutene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82446 ! has exposure stimulus trans-1,4-Dichlorobutene relationship: RO:0002309 CHEBI:82446 ! has exposure stimulus trans-1,4-Dichlorobutene [Term] id: ECTO:9001069 name: exposure to 1,2-dichloroethene def: "An exposure to 1,2-dichloroethene." [] synonym: "exposure to 1,2-dichloroethene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18882 ! has exposure stimulus 1,2-dichloroethene relationship: RO:0002309 CHEBI:18882 ! has exposure stimulus 1,2-dichloroethene [Term] id: ECTO:9001070 name: exposure to 4-chlorophenol def: "An exposure to 4-chlorophenol." [] synonym: "exposure to 4-chlorophenol" EXACT [] is_a: ECTO:9001308 ! exposure to chlorophenol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28078 ! has exposure stimulus 4-chlorophenol relationship: RO:0002309 CHEBI:28078 ! has exposure stimulus 4-chlorophenol [Term] id: ECTO:9001071 name: exposure to 2,4-dichlorophenol def: "An exposure to 2,4-dichlorophenol." [] synonym: "exposure to 2,4-dichlorophenol" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9001308 ! exposure to chlorophenol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16738 ! has exposure stimulus 2,4-dichlorophenol relationship: RO:0002309 CHEBI:16738 ! has exposure stimulus 2,4-dichlorophenol [Term] id: ECTO:9001072 name: exposure to (E)-1,3-dichloropropene def: "An exposure to (E)-1,3-dichloropropene." [] synonym: "exposure to (E)-1,3-dichloropropene" EXACT [] is_a: ECTO:9001527 ! exposure to 1,3-dichloropropene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18624 ! has exposure stimulus (E)-1,3-dichloropropene relationship: RO:0002309 CHEBI:18624 ! has exposure stimulus (E)-1,3-dichloropropene [Term] id: ECTO:9001073 name: exposure to dichlorvos def: "An exposure to dichlorvos." [] synonym: "exposure to dichlorvos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34690 ! has exposure stimulus dichlorvos relationship: RO:0002309 CHEBI:34690 ! has exposure stimulus dichlorvos [Term] id: ECTO:9001074 name: exposure to Diclofop methyl def: "An exposure to diclofop-methyl." [] synonym: "exposure to diclofop-methyl" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4510 ! has exposure stimulus diclofop-methyl relationship: RO:0002309 CHEBI:4510 ! has exposure stimulus diclofop-methyl [Term] id: ECTO:9001075 name: exposure to dicofol def: "An exposure to dicofol." [] synonym: "exposure to dicofol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34692 ! has exposure stimulus dicofol relationship: RO:0002309 CHEBI:34692 ! has exposure stimulus dicofol [Term] id: ECTO:9001076 name: exposure to Dicyclopentadiene def: "An exposure to Dicyclopentadiene." [] synonym: "exposure to Dicyclopentadiene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34695 ! has exposure stimulus Dicyclopentadiene relationship: RO:0002309 CHEBI:34695 ! has exposure stimulus Dicyclopentadiene [Term] id: ECTO:9001077 name: exposure to diepoxybutane def: "An exposure to diepoxybutane." [] synonym: "exposure to diepoxybutane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23704 ! has exposure stimulus diepoxybutane relationship: RO:0002309 CHEBI:23704 ! has exposure stimulus diepoxybutane [Term] id: ECTO:9001078 name: exposure to diethanolamine def: "An exposure to diethanolamine." [] synonym: "exposure to diethanolamine" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28123 ! has exposure stimulus diethanolamine relationship: RO:0002309 CHEBI:28123 ! has exposure stimulus diethanolamine [Term] id: ECTO:9001079 name: exposure to diethyl sulfate def: "An exposure to diethyl sulfate." [] synonym: "exposure to diethyl sulfate" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34699 ! has exposure stimulus diethyl sulfate relationship: RO:0002309 CHEBI:34699 ! has exposure stimulus diethyl sulfate [Term] id: ECTO:9001080 name: exposure to diflubenzuron def: "An exposure to diflubenzuron." [] synonym: "exposure to diflubenzuron" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34703 ! has exposure stimulus diflubenzuron relationship: RO:0002309 CHEBI:34703 ! has exposure stimulus diflubenzuron [Term] id: ECTO:9001081 name: exposure to Diglycidyl resorcinol ether def: "An exposure to Diglycidyl resorcinol ether." [] synonym: "exposure to Diglycidyl resorcinol ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82318 ! has exposure stimulus Diglycidyl resorcinol ether relationship: RO:0002309 CHEBI:82318 ! has exposure stimulus Diglycidyl resorcinol ether [Term] id: ECTO:9001082 name: exposure to Dihydrosafrole def: "An exposure to Dihydrosafrole." [] synonym: "exposure to Dihydrosafrole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82319 ! has exposure stimulus Dihydrosafrole relationship: RO:0002309 CHEBI:82319 ! has exposure stimulus Dihydrosafrole [Term] id: ECTO:9001083 name: exposure to Dimethipin def: "An exposure to Dimethipin." [] synonym: "exposure to Dimethipin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81912 ! has exposure stimulus Dimethipin relationship: RO:0002309 CHEBI:81912 ! has exposure stimulus Dimethipin [Term] id: ECTO:9001084 name: exposure to 3,3'-Dimethoxybenzidine def: "An exposure to 3,3'-Dimethoxybenzidine." [] synonym: "exposure to 3,3'-Dimethoxybenzidine" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82321 ! has exposure stimulus 3,3'-Dimethoxybenzidine relationship: RO:0002309 CHEBI:82321 ! has exposure stimulus 3,3'-Dimethoxybenzidine [Term] id: ECTO:9001085 name: exposure to dimethylamine def: "An exposure to dimethylamine." [] synonym: "exposure to dimethylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17170 ! has exposure stimulus dimethylamine relationship: RO:0002309 CHEBI:17170 ! has exposure stimulus dimethylamine [Term] id: ECTO:9001086 name: exposure to N,N-dimethylaniline def: "An exposure to N,N-dimethylaniline." [] synonym: "exposure to N,N-dimethylaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16269 ! has exposure stimulus N,N-dimethylaniline relationship: RO:0002309 CHEBI:16269 ! has exposure stimulus N,N-dimethylaniline [Term] id: ECTO:9001087 name: exposure to 3,3'-Dimethylbenzidine def: "An exposure to 3,3'-Dimethylbenzidine." [] synonym: "exposure to 3,3'-Dimethylbenzidine" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34320 ! has exposure stimulus 3,3'-Dimethylbenzidine relationship: RO:0002309 CHEBI:34320 ! has exposure stimulus 3,3'-Dimethylbenzidine [Term] id: ECTO:9001088 name: exposure to N,N-dimethylformamide def: "An exposure to N,N-dimethylformamide." [] synonym: "exposure to N,N-dimethylformamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17741 ! has exposure stimulus N,N-dimethylformamide relationship: RO:0002309 CHEBI:17741 ! has exposure stimulus N,N-dimethylformamide [Term] id: ECTO:9001089 name: exposure to 2,4-Dimethylphenol def: "An exposure to 2,4-xylenol." [] synonym: "exposure to 2,4-xylenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34241 ! has exposure stimulus 2,4-xylenol relationship: RO:0002309 CHEBI:34241 ! has exposure stimulus 2,4-xylenol [Term] id: ECTO:9001090 name: exposure to Dimethyl phthalate def: "An exposure to Dimethyl phthalate." [] synonym: "exposure to Dimethyl phthalate" EXACT [] is_a: ECTO:9000906 ! exposure to phthalate ester intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4609 ! has exposure stimulus Dimethyl phthalate relationship: RO:0002309 CHEBI:4609 ! has exposure stimulus Dimethyl phthalate [Term] id: ECTO:9001091 name: exposure to dimethyl sulfate def: "An exposure to dimethyl sulfate." [] synonym: "exposure to dimethyl sulfate" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59050 ! has exposure stimulus dimethyl sulfate relationship: RO:0002309 CHEBI:59050 ! has exposure stimulus dimethyl sulfate [Term] id: ECTO:9001092 name: exposure to 1,3-dinitrobenzene def: "An exposure to 1,3-dinitrobenzene." [] synonym: "exposure to 1,3-dinitrobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51397 ! has exposure stimulus 1,3-dinitrobenzene relationship: RO:0002309 CHEBI:51397 ! has exposure stimulus 1,3-dinitrobenzene [Term] id: ECTO:9001093 name: exposure to 1,2-dinitrobenzene def: "An exposure to 1,2-dinitrobenzene." [] synonym: "exposure to 1,2-dinitrobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34053 ! has exposure stimulus 1,2-dinitrobenzene relationship: RO:0002309 CHEBI:34053 ! has exposure stimulus 1,2-dinitrobenzene [Term] id: ECTO:9001094 name: exposure to 1,4-dinitrobenzene def: "An exposure to 1,4-dinitrobenzene." [] synonym: "exposure to 1,4-dinitrobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51398 ! has exposure stimulus 1,4-dinitrobenzene relationship: RO:0002309 CHEBI:51398 ! has exposure stimulus 1,4-dinitrobenzene [Term] id: ECTO:9001095 name: exposure to 4,6-dinitro-o-cresol def: "An exposure to 4,6-dinitro-o-cresol." [] synonym: "exposure to 4,6-dinitro-o-cresol" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39349 ! has exposure stimulus 4,6-dinitro-o-cresol relationship: RO:0002309 CHEBI:39349 ! has exposure stimulus 4,6-dinitro-o-cresol [Term] id: ECTO:9001096 name: exposure to 2,4-dinitrophenol def: "An exposure to 2,4-dinitrophenol." [] synonym: "exposure to 2,4-dinitrophenol" EXACT [] is_a: ECTO:9000499 ! exposure to dinitrophenol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:42017 ! has exposure stimulus 2,4-dinitrophenol relationship: RO:0002309 CHEBI:42017 ! has exposure stimulus 2,4-dinitrophenol [Term] id: ECTO:9001097 name: exposure to 2,4-dinitrotoluene def: "An exposure to 2,4-dinitrotoluene." [] synonym: "exposure to 2,4-dinitrotoluene" EXACT [] is_a: ECTO:9001099 ! exposure to dinitrotoluene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:920 ! has exposure stimulus 2,4-dinitrotoluene relationship: RO:0002309 CHEBI:920 ! has exposure stimulus 2,4-dinitrotoluene [Term] id: ECTO:9001098 name: exposure to 2,6-dinitrotoluene def: "An exposure to 2,6-dinitrotoluene." [] synonym: "exposure to 2,6-dinitrotoluene" EXACT [] is_a: ECTO:9001099 ! exposure to dinitrotoluene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:957 ! has exposure stimulus 2,6-dinitrotoluene relationship: RO:0002309 CHEBI:957 ! has exposure stimulus 2,6-dinitrotoluene [Term] id: ECTO:9001099 name: exposure to dinitrotoluene def: "An exposure to dinitrotoluene." [] synonym: "exposure to dinitrotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23822 ! has exposure stimulus dinitrotoluene relationship: RO:0002309 CHEBI:23822 ! has exposure stimulus dinitrotoluene [Term] id: ECTO:9001100 name: exposure to dinocap def: "An exposure to dinocap." [] synonym: "exposure to dinocap" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:83379 ! has exposure stimulus dinocap relationship: RO:0002309 CHEBI:83379 ! has exposure stimulus dinocap [Term] id: ECTO:9001101 name: exposure to 1,4-dioxane def: "An exposure to 1,4-dioxane." [] synonym: "exposure to 1,4-dioxane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47032 ! has exposure stimulus 1,4-dioxane relationship: RO:0002309 CHEBI:47032 ! has exposure stimulus 1,4-dioxane [Term] id: ECTO:9001102 name: exposure to Diphenamid def: "An exposure to Diphenamid." [] synonym: "exposure to Diphenamid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81915 ! has exposure stimulus Diphenamid relationship: RO:0002309 CHEBI:81915 ! has exposure stimulus Diphenamid [Term] id: ECTO:9001103 name: exposure to diphenylamine def: "An exposure to diphenylamine." [] synonym: "exposure to diphenylamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4640 ! has exposure stimulus diphenylamine relationship: RO:0002309 CHEBI:4640 ! has exposure stimulus diphenylamine [Term] id: ECTO:9001104 name: exposure to phenylhydrazine def: "An exposure to phenylhydrazine." [] synonym: "exposure to phenylhydrazine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27924 ! has exposure stimulus phenylhydrazine relationship: RO:0002309 CHEBI:27924 ! has exposure stimulus phenylhydrazine [Term] id: ECTO:9001105 name: exposure to 1-dodecylguanidine def: "An exposure to 1-dodecylguanidine." [] synonym: "exposure to 1-dodecylguanidine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:74880 ! has exposure stimulus 1-dodecylguanidine relationship: RO:0002309 CHEBI:74880 ! has exposure stimulus 1-dodecylguanidine [Term] id: ECTO:9001106 name: obsolete epichlorohydrin exposure is_obsolete: true replaced_by: ECTO:9000114 [Term] id: ECTO:9001107 name: exposure to ethoprophos def: "An exposure to ethoprophos." [] synonym: "exposure to ethoprophos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38665 ! has exposure stimulus ethoprophos relationship: RO:0002309 CHEBI:38665 ! has exposure stimulus ethoprophos [Term] id: ECTO:9001109 name: exposure to Ethyl acrylate def: "An exposure to Ethyl acrylate." [] synonym: "exposure to Ethyl acrylate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82327 ! has exposure stimulus Ethyl acrylate relationship: RO:0002309 CHEBI:82327 ! has exposure stimulus Ethyl acrylate [Term] id: ECTO:9001110 name: exposure to EPTC def: "An exposure to EPTC." [] synonym: "exposure to EPTC" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4738 ! has exposure stimulus EPTC relationship: RO:0002309 CHEBI:4738 ! has exposure stimulus EPTC [Term] id: ECTO:9001111 name: exposure to ethylene glycol def: "An exposure to ethylene glycol." [] synonym: "exposure to ethylene glycol" EXACT [] is_a: ECTO:9002156 ! exposure to glycol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30742 ! has exposure stimulus ethylene glycol relationship: RO:0002309 CHEBI:30742 ! has exposure stimulus ethylene glycol [Term] id: ECTO:9001112 name: exposure to aziridine def: "An exposure to aziridine." [] synonym: "exposure to aziridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30969 ! has exposure stimulus aziridine relationship: RO:0002309 CHEBI:30969 ! has exposure stimulus aziridine [Term] id: ECTO:9001113 name: exposure to oxirane def: "An exposure to oxirane." [] synonym: "exposure to oxirane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27561 ! has exposure stimulus oxirane relationship: RO:0002309 CHEBI:27561 ! has exposure stimulus oxirane [Term] id: ECTO:9001114 name: exposure to famphur def: "An exposure to famphur." [] synonym: "exposure to famphur" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38677 ! has exposure stimulus famphur relationship: RO:0002309 CHEBI:38677 ! has exposure stimulus famphur [Term] id: ECTO:9001115 name: exposure to fenarimol def: "An exposure to fenarimol." [] synonym: "exposure to fenarimol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4998 ! has exposure stimulus fenarimol relationship: RO:0002309 CHEBI:4998 ! has exposure stimulus fenarimol [Term] id: ECTO:9001116 name: exposure to fenbutatin oxide def: "An exposure to fenbutatin oxide." [] synonym: "exposure to fenbutatin oxide" EXACT [] is_a: ECTO:9001389 ! exposure to organotin acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39294 ! has exposure stimulus fenbutatin oxide relationship: RO:0002309 CHEBI:39294 ! has exposure stimulus fenbutatin oxide [Term] id: ECTO:9001117 name: exposure to Fenoxaprop ethyl def: "An exposure to Fenoxaprop ethyl." [] synonym: "exposure to Fenoxaprop ethyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5008 ! has exposure stimulus Fenoxaprop ethyl relationship: RO:0002309 CHEBI:5008 ! has exposure stimulus Fenoxaprop ethyl [Term] id: ECTO:9001118 name: exposure to fenpropathrin def: "An exposure to fenpropathrin." [] synonym: "exposure to fenpropathrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39353 ! has exposure stimulus fenpropathrin relationship: RO:0002309 CHEBI:39353 ! has exposure stimulus fenpropathrin [Term] id: ECTO:9001119 name: exposure to fenthion def: "An exposure to fenthion." [] synonym: "exposure to fenthion" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34761 ! has exposure stimulus fenthion relationship: RO:0002309 CHEBI:34761 ! has exposure stimulus fenthion [Term] id: ECTO:9001120 name: exposure to fenvalerate def: "An exposure to fenvalerate." [] synonym: "exposure to fenvalerate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5014 ! has exposure stimulus fenvalerate relationship: RO:0002309 CHEBI:5014 ! has exposure stimulus fenvalerate [Term] id: ECTO:9001121 name: exposure to ferbam def: "An exposure to ferbam." [] synonym: "exposure to ferbam" EXACT [] is_a: ECTO:9000087 ! exposure to iron is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5015 ! has exposure stimulus ferbam relationship: RO:0002309 CHEBI:5015 ! has exposure stimulus ferbam [Term] id: ECTO:9001122 name: exposure to Fluazifop butyl def: "An exposure to fluazifop-butyl." [] synonym: "exposure to fluazifop-butyl" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5097 ! has exposure stimulus fluazifop-butyl relationship: RO:0002309 CHEBI:5097 ! has exposure stimulus fluazifop-butyl [Term] id: ECTO:9001123 name: exposure to Fluometuron def: "An exposure to fluometuron." [] synonym: "exposure to fluometuron" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001541 ! exposure to phenylureas intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82012 ! has exposure stimulus fluometuron relationship: RO:0002309 CHEBI:82012 ! has exposure stimulus fluometuron [Term] id: ECTO:9001124 name: exposure to fluorine def: "An exposure to fluorine molecular entity." [] synonym: "exposure to fluorine molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24062 ! has exposure stimulus fluorine molecular entity relationship: RO:0002309 CHEBI:24062 ! has exposure stimulus fluorine molecular entity [Term] id: ECTO:9001125 name: exposure to fluvalinate def: "An exposure to fluvalinate." [] synonym: "exposure to fluvalinate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001534 ! exposure to organochlorine insecticide is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5135 ! has exposure stimulus fluvalinate relationship: RO:0002309 CHEBI:5135 ! has exposure stimulus fluvalinate [Term] id: ECTO:9001126 name: exposure to folpet def: "An exposure to folpet." [] synonym: "exposure to folpet" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82019 ! has exposure stimulus folpet relationship: RO:0002309 CHEBI:82019 ! has exposure stimulus folpet [Term] id: ECTO:9001127 name: exposure to Fomesafen def: "An exposure to fomesafen." [] synonym: "exposure to fomesafen" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81925 ! has exposure stimulus fomesafen relationship: RO:0002309 CHEBI:81925 ! has exposure stimulus fomesafen [Term] id: ECTO:9001128 name: exposure to furan def: "An exposure to furan." [] synonym: "exposure to furan" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35559 ! has exposure stimulus furan relationship: RO:0002309 CHEBI:35559 ! has exposure stimulus furan [Term] id: ECTO:9001129 name: exposure to glycidol def: "An exposure to glycidol." [] synonym: "exposure to glycidol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30966 ! has exposure stimulus glycidol relationship: RO:0002309 CHEBI:30966 ! has exposure stimulus glycidol [Term] id: ECTO:9001130 name: exposure to Hexachloro-1,3-butadiene def: "An exposure to Hexachloro-1,3-butadiene." [] synonym: "exposure to Hexachloro-1,3-butadiene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5691 ! has exposure stimulus Hexachloro-1,3-butadiene relationship: RO:0002309 CHEBI:5691 ! has exposure stimulus Hexachloro-1,3-butadiene [Term] id: ECTO:9001131 name: exposure to hexachlorophene def: "An exposure to hexachlorophene." [] synonym: "exposure to hexachlorophene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5693 ! has exposure stimulus hexachlorophene relationship: RO:0002309 CHEBI:5693 ! has exposure stimulus hexachlorophene [Term] id: ECTO:9001132 name: exposure to hexamethylphosphoric triamide def: "An exposure to hexamethylphosphoric triamide." [] synonym: "exposure to hexamethylphosphoric triamide" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24565 ! has exposure stimulus hexamethylphosphoric triamide relationship: RO:0002309 CHEBI:24565 ! has exposure stimulus hexamethylphosphoric triamide [Term] id: ECTO:9001133 name: exposure to Hexazinone def: "An exposure to Hexazinone." [] synonym: "exposure to Hexazinone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5705 ! has exposure stimulus Hexazinone relationship: RO:0002309 CHEBI:5705 ! has exposure stimulus Hexazinone [Term] id: ECTO:9001134 name: exposure to hydramethylnon def: "An exposure to hydramethylnon." [] synonym: "exposure to hydramethylnon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2630 ! has exposure stimulus hydramethylnon relationship: RO:0002309 CHEBI:2630 ! has exposure stimulus hydramethylnon [Term] id: ECTO:9001135 name: exposure to hydrazine def: "An exposure to hydrazine." [] synonym: "exposure to hydrazine" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15571 ! has exposure stimulus hydrazine relationship: RO:0002309 CHEBI:15571 ! has exposure stimulus hydrazine [Term] id: ECTO:9001137 name: exposure to hydrogen cyanide def: "An exposure to hydrogen cyanide." [] synonym: "exposure to hydrogen cyanide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18407 ! has exposure stimulus hydrogen cyanide relationship: RO:0002309 CHEBI:18407 ! has exposure stimulus hydrogen cyanide [Term] id: ECTO:9001138 name: exposure to hydrogen fluoride def: "An exposure to hydrogen fluoride." [] synonym: "exposure to hydrogen fluoride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29228 ! has exposure stimulus hydrogen fluoride relationship: RO:0002309 CHEBI:29228 ! has exposure stimulus hydrogen fluoride [Term] id: ECTO:9001139 name: exposure to hydroquinone def: "An exposure to hydroquinone." [] synonym: "exposure to hydroquinone" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17594 ! has exposure stimulus hydroquinone relationship: RO:0002309 CHEBI:17594 ! has exposure stimulus hydroquinone [Term] id: ECTO:9001140 name: exposure to enilconazole def: "An exposure to enilconazole." [] synonym: "exposure to enilconazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81927 ! has exposure stimulus enilconazole relationship: RO:0002309 CHEBI:81927 ! has exposure stimulus enilconazole [Term] id: ECTO:9001141 name: exposure to pentacarbonyliron def: "An exposure to pentacarbonyliron." [] synonym: "exposure to pentacarbonyliron" EXACT [] is_a: ECTO:9000087 ! exposure to iron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30251 ! has exposure stimulus pentacarbonyliron relationship: RO:0002309 CHEBI:30251 ! has exposure stimulus pentacarbonyliron [Term] id: ECTO:9001142 name: exposure to isobutyraldehyde def: "An exposure to isobutyraldehyde." [] synonym: "exposure to isobutyraldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48943 ! has exposure stimulus isobutyraldehyde relationship: RO:0002309 CHEBI:48943 ! has exposure stimulus isobutyraldehyde [Term] id: ECTO:9001143 name: exposure to Isodrin def: "An exposure to Isodrin." [] synonym: "exposure to Isodrin" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82100 ! has exposure stimulus Isodrin relationship: RO:0002309 CHEBI:82100 ! has exposure stimulus Isodrin [Term] id: ECTO:9001144 name: exposure to isoprene def: "An exposure to isoprene." [] synonym: "exposure to isoprene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35194 ! has exposure stimulus isoprene relationship: RO:0002309 CHEBI:35194 ! has exposure stimulus isoprene [Term] id: ECTO:9001145 name: obsolete propan-2-ol exposure is_obsolete: true replaced_by: ECTO:9000099 [Term] id: ECTO:9001146 name: exposure to Isosafrole def: "An exposure to Isosafrole." [] synonym: "exposure to Isosafrole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6054 ! has exposure stimulus Isosafrole relationship: RO:0002309 CHEBI:6054 ! has exposure stimulus Isosafrole [Term] id: ECTO:9001147 name: exposure to trifluoromethyl group def: "An exposure to trifluoromethyl group." [] synonym: "exposure to trifluoromethyl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50127 ! has exposure stimulus trifluoromethyl group relationship: RO:0002309 CHEBI:50127 ! has exposure stimulus trifluoromethyl group [Term] id: ECTO:9001149 name: exposure to lithium carbonate def: "An exposure to lithium carbonate." [] synonym: "exposure to lithium carbonate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6504 ! has exposure stimulus lithium carbonate relationship: RO:0002309 CHEBI:6504 ! has exposure stimulus lithium carbonate [Term] id: ECTO:9001150 name: exposure to malathion def: "An exposure to malathion." [] synonym: "exposure to malathion" EXACT [] is_a: ECTO:9000284 ! exposure to organophosphorus compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6651 ! has exposure stimulus malathion relationship: RO:0002309 CHEBI:6651 ! has exposure stimulus malathion [Term] id: ECTO:9001151 name: exposure to maleic anhydride def: "An exposure to maleic anhydride." [] synonym: "exposure to maleic anhydride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:474859 ! has exposure stimulus maleic anhydride relationship: RO:0002309 CHEBI:474859 ! has exposure stimulus maleic anhydride [Term] id: ECTO:9001152 name: exposure to malononitrile def: "An exposure to malononitrile." [] synonym: "exposure to malononitrile" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33186 ! has exposure stimulus malononitrile relationship: RO:0002309 CHEBI:33186 ! has exposure stimulus malononitrile [Term] id: ECTO:9001153 name: exposure to maneb def: "An exposure to maneb." [] synonym: "exposure to maneb" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52497 ! has exposure stimulus maneb relationship: RO:0002309 CHEBI:52497 ! has exposure stimulus maneb [Term] id: ECTO:9001154 name: exposure to elemental manganese def: "An exposure to elemental manganese." [] synonym: "exposure to elemental manganese" EXACT [] is_a: ECTO:9000946 ! exposure to manganese intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35115 ! has exposure stimulus elemental manganese relationship: RO:0002309 CHEBI:35115 ! has exposure stimulus elemental manganese [Term] id: ECTO:9001155 name: exposure to 1,3-benzothiazole-2-thiol def: "An exposure to 1,3-benzothiazole-2-thiol." [] synonym: "exposure to 1,3-benzothiazole-2-thiol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34292 ! has exposure stimulus 1,3-benzothiazole-2-thiol relationship: RO:0002309 CHEBI:34292 ! has exposure stimulus 1,3-benzothiazole-2-thiol [Term] id: ECTO:9001156 name: exposure to Methazole def: "An exposure to Methazole." [] synonym: "exposure to Methazole" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82244 ! has exposure stimulus Methazole relationship: RO:0002309 CHEBI:82244 ! has exposure stimulus Methazole [Term] id: ECTO:9001157 name: exposure to methoxychlor def: "An exposure to methoxychlor." [] synonym: "exposure to methoxychlor" EXACT [] is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6842 ! has exposure stimulus methoxychlor relationship: RO:0002309 CHEBI:6842 ! has exposure stimulus methoxychlor [Term] id: ECTO:9001159 name: exposure to Methyl acrylate def: "An exposure to Methyl acrylate." [] synonym: "exposure to Methyl acrylate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82482 ! has exposure stimulus Methyl acrylate relationship: RO:0002309 CHEBI:82482 ! has exposure stimulus Methyl acrylate [Term] id: ECTO:9001160 name: obsolete methyl tert-butyl ether exposure is_obsolete: true replaced_by: ECTO:9000096 [Term] id: ECTO:9001161 name: exposure to 4,4'-diaminodiphenylmethane def: "An exposure to 4,4'-diaminodiphenylmethane." [] synonym: "exposure to 4,4'-diaminodiphenylmethane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32506 ! has exposure stimulus 4,4'-diaminodiphenylmethane relationship: RO:0002309 CHEBI:32506 ! has exposure stimulus 4,4'-diaminodiphenylmethane [Term] id: ECTO:9001162 name: exposure to O-methyleugenol def: "An exposure to O-methyleugenol." [] synonym: "exposure to O-methyleugenol" EXACT [] is_a: ECTO:9000345 ! exposure to phenylpropanoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4918 ! has exposure stimulus O-methyleugenol relationship: RO:0002309 CHEBI:4918 ! has exposure stimulus O-methyleugenol [Term] id: ECTO:9001163 name: exposure to iodomethane def: "An exposure to iodomethane." [] synonym: "exposure to iodomethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39282 ! has exposure stimulus iodomethane relationship: RO:0002309 CHEBI:39282 ! has exposure stimulus iodomethane [Term] id: ECTO:9001164 name: exposure to Methyl isobutyl ketone def: "An exposure to Methyl isobutyl ketone." [] synonym: "exposure to Methyl isobutyl ketone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82344 ! has exposure stimulus Methyl isobutyl ketone relationship: RO:0002309 CHEBI:82344 ! has exposure stimulus Methyl isobutyl ketone [Term] id: ECTO:9001165 name: exposure to methyl isocyanate def: "An exposure to methyl isocyanate." [] synonym: "exposure to methyl isocyanate" EXACT [] is_a: ECTO:9002153 ! exposure to isocyanates intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59059 ! has exposure stimulus methyl isocyanate relationship: RO:0002309 CHEBI:59059 ! has exposure stimulus methyl isocyanate [Term] id: ECTO:9001166 name: exposure to methyl isothiocyanate def: "An exposure to methyl isothiocyanate." [] synonym: "exposure to methyl isothiocyanate" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78337 ! has exposure stimulus methyl isothiocyanate relationship: RO:0002309 CHEBI:78337 ! has exposure stimulus methyl isothiocyanate [Term] id: ECTO:9001167 name: exposure to 2-hydroxy-2-methylpropanenitrile def: "An exposure to 2-hydroxy-2-methylpropanenitrile." [] synonym: "exposure to 2-hydroxy-2-methylpropanenitrile" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15348 ! has exposure stimulus 2-hydroxy-2-methylpropanenitrile relationship: RO:0002309 CHEBI:15348 ! has exposure stimulus 2-hydroxy-2-methylpropanenitrile [Term] id: ECTO:9001168 name: exposure to methyl methacrylate def: "An exposure to methyl methacrylate." [] synonym: "exposure to methyl methacrylate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34840 ! has exposure stimulus methyl methacrylate relationship: RO:0002309 CHEBI:34840 ! has exposure stimulus methyl methacrylate [Term] id: ECTO:9001169 name: exposure to N-Methylolacrylamide def: "An exposure to N-Methylolacrylamide." [] synonym: "exposure to N-Methylolacrylamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82492 ! has exposure stimulus N-Methylolacrylamide relationship: RO:0002309 CHEBI:82492 ! has exposure stimulus N-Methylolacrylamide [Term] id: ECTO:9001170 name: exposure to 2-methylpyridine def: "An exposure to 2-methylpyridine." [] synonym: "exposure to 2-methylpyridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50415 ! has exposure stimulus 2-methylpyridine relationship: RO:0002309 CHEBI:50415 ! has exposure stimulus 2-methylpyridine [Term] id: ECTO:9001171 name: exposure to metiram def: "An exposure to metiram." [] synonym: "exposure to metiram" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81539 ! has exposure stimulus metiram relationship: RO:0002309 CHEBI:81539 ! has exposure stimulus metiram [Term] id: ECTO:9001172 name: exposure to mevinphos def: "An exposure to mevinphos." [] synonym: "exposure to mevinphos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38725 ! has exposure stimulus mevinphos relationship: RO:0002309 CHEBI:38725 ! has exposure stimulus mevinphos [Term] id: ECTO:9001173 name: exposure to Molinate def: "An exposure to molinate." [] synonym: "exposure to molinate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6964 ! has exposure stimulus molinate relationship: RO:0002309 CHEBI:6964 ! has exposure stimulus molinate [Term] id: ECTO:9001174 name: exposure to molybdenum trioxide def: "An exposure to molybdenum trioxide." [] synonym: "exposure to molybdenum trioxide" EXACT [] is_a: ECTO:9000948 ! exposure to molybdenum intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30627 ! has exposure stimulus molybdenum trioxide relationship: RO:0002309 CHEBI:30627 ! has exposure stimulus molybdenum trioxide [Term] id: ECTO:9001175 name: exposure to bis(2-chloroethyl) sulfide def: "An exposure to bis(2-chloroethyl) sulfide." [] synonym: "exposure to bis(2-chloroethyl) sulfide" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25434 ! has exposure stimulus bis(2-chloroethyl) sulfide relationship: RO:0002309 CHEBI:25434 ! has exposure stimulus bis(2-chloroethyl) sulfide [Term] id: ECTO:9001176 name: exposure to nabam def: "An exposure to nabam." [] synonym: "exposure to nabam" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81934 ! has exposure stimulus nabam relationship: RO:0002309 CHEBI:81934 ! has exposure stimulus nabam [Term] id: ECTO:9001177 name: exposure to naled def: "An exposure to naled." [] synonym: "exposure to naled" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38729 ! has exposure stimulus naled relationship: RO:0002309 CHEBI:38729 ! has exposure stimulus naled [Term] id: ECTO:9001178 name: exposure to 1-naphthylamine def: "An exposure to 1-naphthylamine." [] synonym: "exposure to 1-naphthylamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50450 ! has exposure stimulus 1-naphthylamine relationship: RO:0002309 CHEBI:50450 ! has exposure stimulus 1-naphthylamine [Term] id: ECTO:9001179 name: exposure to 2-naphthylamine def: "An exposure to 2-naphthylamine." [] synonym: "exposure to 2-naphthylamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27878 ! has exposure stimulus 2-naphthylamine relationship: RO:0002309 CHEBI:27878 ! has exposure stimulus 2-naphthylamine [Term] id: ECTO:9001181 name: exposure to Nitrapyrin def: "An exposure to nitrapyrin." [] synonym: "exposure to nitrapyrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81935 ! has exposure stimulus nitrapyrin relationship: RO:0002309 CHEBI:81935 ! has exposure stimulus nitrapyrin [Term] id: ECTO:9001183 name: exposure to nitrilotriacetic acid def: "An exposure to nitrilotriacetic acid." [] synonym: "exposure to nitrilotriacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44557 ! has exposure stimulus nitrilotriacetic acid relationship: RO:0002309 CHEBI:44557 ! has exposure stimulus nitrilotriacetic acid [Term] id: ECTO:9001184 name: exposure to 4-nitroaniline def: "An exposure to 4-nitroaniline." [] synonym: "exposure to 4-nitroaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17064 ! has exposure stimulus 4-nitroaniline relationship: RO:0002309 CHEBI:17064 ! has exposure stimulus 4-nitroaniline [Term] id: ECTO:9001185 name: exposure to 2-nitroanisole def: "An exposure to 2-nitroanisole." [] synonym: "exposure to 2-nitroanisole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48722 ! has exposure stimulus 2-nitroanisole relationship: RO:0002309 CHEBI:48722 ! has exposure stimulus 2-nitroanisole [Term] id: ECTO:9001186 name: exposure to 2-methoxy-5-nitroaniline def: "An exposure to 2-methoxy-5-nitroaniline." [] synonym: "exposure to 2-methoxy-5-nitroaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48977 ! has exposure stimulus 2-methoxy-5-nitroaniline relationship: RO:0002309 CHEBI:48977 ! has exposure stimulus 2-methoxy-5-nitroaniline [Term] id: ECTO:9001187 name: exposure to 4-Nitrobiphenyl def: "An exposure to 4-Nitrobiphenyl." [] synonym: "exposure to 4-Nitrobiphenyl" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82504 ! has exposure stimulus 4-Nitrobiphenyl relationship: RO:0002309 CHEBI:82504 ! has exposure stimulus 4-Nitrobiphenyl [Term] id: ECTO:9001188 name: exposure to Nitrofen def: "An exposure to nitrofen." [] synonym: "exposure to nitrofen" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7590 ! has exposure stimulus nitrofen relationship: RO:0002309 CHEBI:7590 ! has exposure stimulus nitrofen [Term] id: ECTO:9001189 name: exposure to 2-chloroethyl group def: "An exposure to 2-chloroethyl group." [] synonym: "exposure to 2-chloroethyl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47553 ! has exposure stimulus 2-chloroethyl group relationship: RO:0002309 CHEBI:47553 ! has exposure stimulus 2-chloroethyl group [Term] id: ECTO:9001190 name: exposure to nitromethane def: "An exposure to nitromethane." [] synonym: "exposure to nitromethane" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77701 ! has exposure stimulus nitromethane relationship: RO:0002309 CHEBI:77701 ! has exposure stimulus nitromethane [Term] id: ECTO:9001191 name: exposure to 2-nitrophenol def: "An exposure to 2-nitrophenol." [] synonym: "exposure to 2-nitrophenol" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16260 ! has exposure stimulus 2-nitrophenol relationship: RO:0002309 CHEBI:16260 ! has exposure stimulus 2-nitrophenol [Term] id: ECTO:9001192 name: exposure to 4-nitrophenol def: "An exposure to 4-nitrophenol." [] synonym: "exposure to 4-nitrophenol" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16836 ! has exposure stimulus 4-nitrophenol relationship: RO:0002309 CHEBI:16836 ! has exposure stimulus 4-nitrophenol [Term] id: ECTO:9001193 name: exposure to 2-nitropropane def: "An exposure to 2-nitropropane." [] synonym: "exposure to 2-nitropropane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16037 ! has exposure stimulus 2-nitropropane relationship: RO:0002309 CHEBI:16037 ! has exposure stimulus 2-nitropropane [Term] id: ECTO:9001194 name: exposure to N-Nitrosodi-n-butylamine def: "An exposure to N-Nitrosodi-n-butylamine." [] synonym: "exposure to N-Nitrosodi-n-butylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82356 ! has exposure stimulus N-Nitrosodi-n-butylamine relationship: RO:0002309 CHEBI:82356 ! has exposure stimulus N-Nitrosodi-n-butylamine [Term] id: ECTO:9001195 name: exposure to N-nitrosodiethylamine def: "An exposure to N-nitrosodiethylamine." [] synonym: "exposure to N-nitrosodiethylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34873 ! has exposure stimulus N-nitrosodiethylamine relationship: RO:0002309 CHEBI:34873 ! has exposure stimulus N-nitrosodiethylamine [Term] id: ECTO:9001196 name: exposure to N-nitrosodimethylamine def: "An exposure to N-nitrosodimethylamine." [] synonym: "exposure to N-nitrosodimethylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35807 ! has exposure stimulus N-nitrosodimethylamine relationship: RO:0002309 CHEBI:35807 ! has exposure stimulus N-nitrosodimethylamine [Term] id: ECTO:9001197 name: exposure to N-Nitrosodiphenylamine def: "An exposure to N-Nitrosodiphenylamine." [] synonym: "exposure to N-Nitrosodiphenylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34875 ! has exposure stimulus N-Nitrosodiphenylamine relationship: RO:0002309 CHEBI:34875 ! has exposure stimulus N-Nitrosodiphenylamine [Term] id: ECTO:9001198 name: exposure to N-Nitrosodi-n-propylamine def: "An exposure to N-Nitrosodi-n-propylamine." [] synonym: "exposure to N-Nitrosodi-n-propylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82358 ! has exposure stimulus N-Nitrosodi-n-propylamine relationship: RO:0002309 CHEBI:82358 ! has exposure stimulus N-Nitrosodi-n-propylamine [Term] id: ECTO:9001199 name: exposure to N-methyl-N-nitrosourea def: "An exposure to N-methyl-N-nitrosourea." [] synonym: "exposure to N-methyl-N-nitrosourea" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50102 ! has exposure stimulus N-methyl-N-nitrosourea relationship: RO:0002309 CHEBI:50102 ! has exposure stimulus N-methyl-N-nitrosourea [Term] id: ECTO:9001200 name: exposure to N-Nitrosomethylvinylamine def: "An exposure to N-Nitrosomethylvinylamine." [] synonym: "exposure to N-Nitrosomethylvinylamine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82361 ! has exposure stimulus N-Nitrosomethylvinylamine relationship: RO:0002309 CHEBI:82361 ! has exposure stimulus N-Nitrosomethylvinylamine [Term] id: ECTO:9001201 name: exposure to N-nitrosomorpholine def: "An exposure to N-nitrosomorpholine." [] synonym: "exposure to N-nitrosomorpholine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76326 ! has exposure stimulus N-nitrosomorpholine relationship: RO:0002309 CHEBI:76326 ! has exposure stimulus N-nitrosomorpholine [Term] id: ECTO:9001202 name: exposure to 5-nitro-o-toluidine def: "An exposure to 5-nitro-o-toluidine." [] synonym: "exposure to 5-nitro-o-toluidine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66891 ! has exposure stimulus 5-nitro-o-toluidine relationship: RO:0002309 CHEBI:66891 ! has exposure stimulus 5-nitro-o-toluidine [Term] id: ECTO:9001203 name: exposure to norflurazon def: "An exposure to norflurazon." [] synonym: "exposure to norflurazon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50842 ! has exposure stimulus norflurazon relationship: RO:0002309 CHEBI:50842 ! has exposure stimulus norflurazon [Term] id: ECTO:9001204 name: exposure to Octachlorostyrene def: "An exposure to Octachlorostyrene." [] synonym: "exposure to Octachlorostyrene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81542 ! has exposure stimulus Octachlorostyrene relationship: RO:0002309 CHEBI:81542 ! has exposure stimulus Octachlorostyrene [Term] id: ECTO:9001205 name: exposure to oryzalin def: "An exposure to oryzalin." [] synonym: "exposure to oryzalin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73163 ! has exposure stimulus oryzalin relationship: RO:0002309 CHEBI:73163 ! has exposure stimulus oryzalin [Term] id: ECTO:9001206 name: exposure to osmium tetroxide def: "An exposure to osmium tetroxide." [] synonym: "exposure to osmium tetroxide" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88215 ! has exposure stimulus osmium tetroxide relationship: RO:0002309 CHEBI:88215 ! has exposure stimulus osmium tetroxide [Term] id: ECTO:9001207 name: exposure to oxydemeton-methyl def: "An exposure to oxydemeton-methyl." [] synonym: "exposure to oxydemeton-methyl" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38735 ! has exposure stimulus oxydemeton-methyl relationship: RO:0002309 CHEBI:38735 ! has exposure stimulus oxydemeton-methyl [Term] id: ECTO:9001208 name: exposure to Oxyfluorfen def: "An exposure to Oxyfluorfen." [] synonym: "exposure to Oxyfluorfen" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82029 ! has exposure stimulus Oxyfluorfen relationship: RO:0002309 CHEBI:82029 ! has exposure stimulus Oxyfluorfen [Term] id: ECTO:9001209 name: exposure to paraldehyde def: "An exposure to paraldehyde." [] synonym: "exposure to paraldehyde" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27909 ! has exposure stimulus paraldehyde relationship: RO:0002309 CHEBI:27909 ! has exposure stimulus paraldehyde [Term] id: ECTO:9001210 name: exposure to paraquat dichloride def: "An exposure to paraquat dichloride." [] synonym: "exposure to paraquat dichloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28786 ! has exposure stimulus paraquat dichloride relationship: RO:0002309 CHEBI:28786 ! has exposure stimulus paraquat dichloride [Term] id: ECTO:9001211 name: exposure to p-nitrophenyl group def: "An exposure to p-nitrophenyl group." [] synonym: "exposure to p-nitrophenyl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61595 ! has exposure stimulus p-nitrophenyl group relationship: RO:0002309 CHEBI:61595 ! has exposure stimulus p-nitrophenyl group [Term] id: ECTO:9001212 name: exposure to Pebulate def: "An exposure to Pebulate." [] synonym: "exposure to Pebulate" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81939 ! has exposure stimulus Pebulate relationship: RO:0002309 CHEBI:81939 ! has exposure stimulus Pebulate [Term] id: ECTO:9001213 name: exposure to pentan-3-yl group def: "An exposure to pentan-3-yl group." [] synonym: "exposure to pentan-3-yl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32881 ! has exposure stimulus pentan-3-yl group relationship: RO:0002309 CHEBI:32881 ! has exposure stimulus pentan-3-yl group [Term] id: ECTO:9001214 name: exposure to pentachloroethane def: "An exposure to pentachloroethane." [] synonym: "exposure to pentachloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76287 ! has exposure stimulus pentachloroethane relationship: RO:0002309 CHEBI:76287 ! has exposure stimulus pentachloroethane [Term] id: ECTO:9001215 name: exposure to pentachlorophenol def: "An exposure to pentachlorophenol." [] synonym: "exposure to pentachlorophenol" EXACT [] is_a: ECTO:9001308 ! exposure to chlorophenol is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17642 ! has exposure stimulus pentachlorophenol relationship: RO:0002309 CHEBI:17642 ! has exposure stimulus pentachlorophenol [Term] id: ECTO:9001216 name: exposure to Pentobarbital sodium def: "An exposure to Pentobarbital sodium." [] synonym: "exposure to Pentobarbital sodium" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7984 ! has exposure stimulus Pentobarbital sodium relationship: RO:0002309 CHEBI:7984 ! has exposure stimulus Pentobarbital sodium [Term] id: ECTO:9001217 name: exposure to permethrin def: "An exposure to permethrin." [] synonym: "exposure to permethrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34911 ! has exposure stimulus permethrin relationship: RO:0002309 CHEBI:34911 ! has exposure stimulus permethrin [Term] id: ECTO:9001218 name: obsolete phenol exposure is_obsolete: true replaced_by: ECTO:9000071 [Term] id: ECTO:9001219 name: exposure to phenolphthalein def: "An exposure to phenolphthalein." [] synonym: "exposure to phenolphthalein" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34914 ! has exposure stimulus phenolphthalein relationship: RO:0002309 CHEBI:34914 ! has exposure stimulus phenolphthalein [Term] id: ECTO:9001220 name: exposure to phenothrin def: "An exposure to phenothrin." [] synonym: "exposure to phenothrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34916 ! has exposure stimulus phenothrin relationship: RO:0002309 CHEBI:34916 ! has exposure stimulus phenothrin [Term] id: ECTO:9001221 name: exposure to 1,2-phenylenediamine def: "An exposure to 1,2-phenylenediamine." [] synonym: "exposure to 1,2-phenylenediamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34043 ! has exposure stimulus 1,2-phenylenediamine relationship: RO:0002309 CHEBI:34043 ! has exposure stimulus 1,2-phenylenediamine [Term] id: ECTO:9001222 name: exposure to 1,3-phenylenediamine def: "An exposure to 1,3-phenylenediamine." [] synonym: "exposure to 1,3-phenylenediamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8092 ! has exposure stimulus 1,3-phenylenediamine relationship: RO:0002309 CHEBI:8092 ! has exposure stimulus 1,3-phenylenediamine [Term] id: ECTO:9001223 name: exposure to 1,4-phenylenediamine def: "An exposure to 1,4-phenylenediamine." [] synonym: "exposure to 1,4-phenylenediamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51403 ! has exposure stimulus 1,4-phenylenediamine relationship: RO:0002309 CHEBI:51403 ! has exposure stimulus 1,4-phenylenediamine [Term] id: ECTO:9001224 name: exposure to phenytoin def: "An exposure to phenytoin." [] synonym: "exposure to phenytoin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8107 ! has exposure stimulus phenytoin relationship: RO:0002309 CHEBI:8107 ! has exposure stimulus phenytoin [Term] id: ECTO:9001225 name: obsolete phosgene exposure is_obsolete: true replaced_by: ECTO:9000070 [Term] id: ECTO:9001226 name: exposure to phosphine def: "An exposure to phosphine." [] synonym: "exposure to phosphine" EXACT [] is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35883 ! has exposure stimulus phosphine relationship: RO:0002309 CHEBI:35883 ! has exposure stimulus phosphine [Term] id: ECTO:9001227 name: exposure to phosphorus def: "An exposure to phosphorus molecular entity." [] synonym: "exposure to phosphorus molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26082 ! has exposure stimulus phosphorus molecular entity relationship: RO:0002309 CHEBI:26082 ! has exposure stimulus phosphorus molecular entity [Term] id: ECTO:9001228 name: exposure to phthalic anhydride def: "An exposure to phthalic anhydride." [] synonym: "exposure to phthalic anhydride" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36605 ! has exposure stimulus phthalic anhydride relationship: RO:0002309 CHEBI:36605 ! has exposure stimulus phthalic anhydride [Term] id: ECTO:9001229 name: exposure to Picloram def: "An exposure to picloram." [] synonym: "exposure to picloram" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34922 ! has exposure stimulus picloram relationship: RO:0002309 CHEBI:34922 ! has exposure stimulus picloram [Term] id: ECTO:9001230 name: exposure to picric acid def: "An exposure to picric acid." [] synonym: "exposure to picric acid" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46149 ! has exposure stimulus picric acid relationship: RO:0002309 CHEBI:46149 ! has exposure stimulus picric acid [Term] id: ECTO:9001231 name: exposure to piperonyl butoxide def: "An exposure to piperonyl butoxide." [] synonym: "exposure to piperonyl butoxide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32687 ! has exposure stimulus piperonyl butoxide relationship: RO:0002309 CHEBI:32687 ! has exposure stimulus piperonyl butoxide [Term] id: ECTO:9001232 name: exposure to potassium bromate def: "An exposure to potassium bromate." [] synonym: "exposure to potassium bromate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38211 ! has exposure stimulus potassium bromate relationship: RO:0002309 CHEBI:38211 ! has exposure stimulus potassium bromate [Term] id: ECTO:9001233 name: exposure to profenofos def: "An exposure to profenofos." [] synonym: "exposure to profenofos" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38845 ! has exposure stimulus profenofos relationship: RO:0002309 CHEBI:38845 ! has exposure stimulus profenofos [Term] id: ECTO:9001234 name: exposure to isopropyl group def: "An exposure to isopropyl group." [] synonym: "exposure to isopropyl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30353 ! has exposure stimulus isopropyl group relationship: RO:0002309 CHEBI:30353 ! has exposure stimulus isopropyl group [Term] id: ECTO:9001235 name: exposure to Pronamide def: "An exposure to propyzamide." [] synonym: "exposure to propyzamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34935 ! has exposure stimulus propyzamide relationship: RO:0002309 CHEBI:34935 ! has exposure stimulus propyzamide [Term] id: ECTO:9001236 name: exposure to propargite def: "An exposure to propargite." [] synonym: "exposure to propargite" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39300 ! has exposure stimulus propargite relationship: RO:0002309 CHEBI:39300 ! has exposure stimulus propargite [Term] id: ECTO:9001237 name: exposure to prop-2-yn-1-ol def: "An exposure to prop-2-yn-1-ol." [] synonym: "exposure to prop-2-yn-1-ol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28905 ! has exposure stimulus prop-2-yn-1-ol relationship: RO:0002309 CHEBI:28905 ! has exposure stimulus prop-2-yn-1-ol [Term] id: ECTO:9001238 name: exposure to propetamphos def: "An exposure to propetamphos." [] synonym: "exposure to propetamphos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38864 ! has exposure stimulus propetamphos relationship: RO:0002309 CHEBI:38864 ! has exposure stimulus propetamphos [Term] id: ECTO:9001239 name: exposure to beta-propiolactone def: "An exposure to beta-propiolactone." [] synonym: "exposure to beta-propiolactone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49073 ! has exposure stimulus beta-propiolactone relationship: RO:0002309 CHEBI:49073 ! has exposure stimulus beta-propiolactone [Term] id: ECTO:9001240 name: exposure to propanal def: "An exposure to propanal." [] synonym: "exposure to propanal" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17153 ! has exposure stimulus propanal relationship: RO:0002309 CHEBI:17153 ! has exposure stimulus propanal [Term] id: ECTO:9001241 name: exposure to propoxur def: "An exposure to propoxur." [] synonym: "exposure to propoxur" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34938 ! has exposure stimulus propoxur relationship: RO:0002309 CHEBI:34938 ! has exposure stimulus propoxur [Term] id: ECTO:9001242 name: exposure to propene def: "An exposure to propene." [] synonym: "exposure to propene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16052 ! has exposure stimulus propene relationship: RO:0002309 CHEBI:16052 ! has exposure stimulus propene [Term] id: ECTO:9001243 name: exposure to 2-Methylaziridine def: "An exposure to 2-Methylaziridine." [] synonym: "exposure to 2-Methylaziridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82340 ! has exposure stimulus 2-Methylaziridine relationship: RO:0002309 CHEBI:82340 ! has exposure stimulus 2-Methylaziridine [Term] id: ECTO:9001244 name: exposure to 1,2-epoxypropane def: "An exposure to 1,2-epoxypropane." [] synonym: "exposure to 1,2-epoxypropane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38685 ! has exposure stimulus 1,2-epoxypropane relationship: RO:0002309 CHEBI:38685 ! has exposure stimulus 1,2-epoxypropane [Term] id: ECTO:9001245 name: exposure to quinoline def: "An exposure to quinoline." [] synonym: "exposure to quinoline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17362 ! has exposure stimulus quinoline relationship: RO:0002309 CHEBI:17362 ! has exposure stimulus quinoline [Term] id: ECTO:9001246 name: exposure to quinone def: "An exposure to quinone." [] synonym: "exposure to quinone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36141 ! has exposure stimulus quinone relationship: RO:0002309 CHEBI:36141 ! has exposure stimulus quinone [Term] id: ECTO:9001247 name: exposure to pentachloronitrobenzene def: "An exposure to pentachloronitrobenzene." [] synonym: "exposure to pentachloronitrobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34908 ! has exposure stimulus pentachloronitrobenzene relationship: RO:0002309 CHEBI:34908 ! has exposure stimulus pentachloronitrobenzene [Term] id: ECTO:9001248 name: exposure to Quizalofop-ethyl def: "An exposure to quizalofop-ethyl." [] synonym: "exposure to quizalofop-ethyl" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81807 ! has exposure stimulus quizalofop-ethyl relationship: RO:0002309 CHEBI:81807 ! has exposure stimulus quizalofop-ethyl [Term] id: ECTO:9001249 name: exposure to resmethrin def: "An exposure to resmethrin." [] synonym: "exposure to resmethrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8811 ! has exposure stimulus resmethrin relationship: RO:0002309 CHEBI:8811 ! has exposure stimulus resmethrin [Term] id: ECTO:9001250 name: exposure to safrole def: "An exposure to safrole." [] synonym: "exposure to safrole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8994 ! has exposure stimulus safrole relationship: RO:0002309 CHEBI:8994 ! has exposure stimulus safrole [Term] id: ECTO:9001251 name: exposure to Sethoxydim def: "An exposure to Sethoxydim." [] synonym: "exposure to Sethoxydim" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81815 ! has exposure stimulus Sethoxydim relationship: RO:0002309 CHEBI:81815 ! has exposure stimulus Sethoxydim [Term] id: ECTO:9001252 name: exposure to elemental silver def: "An exposure to elemental silver." [] synonym: "exposure to elemental silver" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9001311 ! exposure to silver intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33966 ! has exposure stimulus elemental silver relationship: RO:0002309 CHEBI:33966 ! has exposure stimulus elemental silver [Term] id: ECTO:9001253 name: exposure to sodium azide def: "An exposure to sodium azide." [] synonym: "exposure to sodium azide" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:278547 ! has exposure stimulus sodium azide relationship: RO:0002309 CHEBI:278547 ! has exposure stimulus sodium azide [Term] id: ECTO:9001254 name: exposure to sodium fluoroacetate def: "An exposure to sodium fluoroacetate." [] synonym: "exposure to sodium fluoroacetate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38699 ! has exposure stimulus sodium fluoroacetate relationship: RO:0002309 CHEBI:38699 ! has exposure stimulus sodium fluoroacetate [Term] id: ECTO:9001255 name: exposure to sodium nitrite def: "An exposure to sodium nitrite." [] synonym: "exposure to sodium nitrite" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78870 ! has exposure stimulus sodium nitrite relationship: RO:0002309 CHEBI:78870 ! has exposure stimulus sodium nitrite [Term] id: ECTO:9001256 name: exposure to styrene oxide def: "An exposure to styrene oxide." [] synonym: "exposure to styrene oxide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17907 ! has exposure stimulus styrene oxide relationship: RO:0002309 CHEBI:17907 ! has exposure stimulus styrene oxide [Term] id: ECTO:9001258 name: exposure to sulfuryl difluoride def: "An exposure to sulfuryl difluoride." [] synonym: "exposure to sulfuryl difluoride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39287 ! has exposure stimulus sulfuryl difluoride relationship: RO:0002309 CHEBI:39287 ! has exposure stimulus sulfuryl difluoride [Term] id: ECTO:9001259 name: exposure to sulprofos def: "An exposure to sulprofos." [] synonym: "exposure to sulprofos" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38949 ! has exposure stimulus sulprofos relationship: RO:0002309 CHEBI:38949 ! has exposure stimulus sulprofos [Term] id: ECTO:9001260 name: exposure to tert-butyl group def: "An exposure to tert-butyl group." [] synonym: "exposure to tert-butyl group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30355 ! has exposure stimulus tert-butyl group relationship: RO:0002309 CHEBI:30355 ! has exposure stimulus tert-butyl group [Term] id: ECTO:9001261 name: exposure to temephos def: "An exposure to temephos." [] synonym: "exposure to temephos" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38954 ! has exposure stimulus temephos relationship: RO:0002309 CHEBI:38954 ! has exposure stimulus temephos [Term] id: ECTO:9001262 name: exposure to Terbacil def: "An exposure to Terbacil." [] synonym: "exposure to Terbacil" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9447 ! has exposure stimulus Terbacil relationship: RO:0002309 CHEBI:9447 ! has exposure stimulus Terbacil [Term] id: ECTO:9001263 name: exposure to 3,3',5,5'-tetrabromobisphenol A def: "An exposure to 3,3',5,5'-tetrabromobisphenol A." [] synonym: "exposure to 3,3',5,5'-tetrabromobisphenol A" EXACT [] is_a: ECTO:9001353 ! exposure to phenols is_a: ECTO:9002162 ! exposure to brominated flame retardant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33217 ! has exposure stimulus 3,3',5,5'-tetrabromobisphenol A relationship: RO:0002309 CHEBI:33217 ! has exposure stimulus 3,3',5,5'-tetrabromobisphenol A [Term] id: ECTO:9001264 name: exposure to 1,1,1,2-tetrachloroethane def: "An exposure to 1,1,1,2-tetrachloroethane." [] synonym: "exposure to 1,1,1,2-tetrachloroethane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34024 ! has exposure stimulus 1,1,1,2-tetrachloroethane relationship: RO:0002309 CHEBI:34024 ! has exposure stimulus 1,1,1,2-tetrachloroethane [Term] id: ECTO:9001265 name: exposure to tetrachlorvinphos def: "An exposure to tetrachlorvinphos." [] synonym: "exposure to tetrachlorvinphos" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35005 ! has exposure stimulus tetrachlorvinphos relationship: RO:0002309 CHEBI:35005 ! has exposure stimulus tetrachlorvinphos [Term] id: ECTO:9001266 name: exposure to Tetracycline hydrochloride def: "An exposure to Tetracycline hydrochloride." [] synonym: "exposure to Tetracycline hydrochloride" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35006 ! has exposure stimulus Tetracycline hydrochloride relationship: RO:0002309 CHEBI:35006 ! has exposure stimulus Tetracycline hydrochloride [Term] id: ECTO:9001267 name: exposure to tetrafluoroethene def: "An exposure to tetrafluoroethene." [] synonym: "exposure to tetrafluoroethene" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38866 ! has exposure stimulus tetrafluoroethene relationship: RO:0002309 CHEBI:38866 ! has exposure stimulus tetrafluoroethene [Term] id: ECTO:9001268 name: exposure to Tetranitromethane def: "An exposure to Tetranitromethane." [] synonym: "exposure to Tetranitromethane" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82372 ! has exposure stimulus Tetranitromethane relationship: RO:0002309 CHEBI:82372 ! has exposure stimulus Tetranitromethane [Term] id: ECTO:9001269 name: exposure to tetramethrin def: "An exposure to tetramethrin." [] synonym: "exposure to tetramethrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39397 ! has exposure stimulus tetramethrin relationship: RO:0002309 CHEBI:39397 ! has exposure stimulus tetramethrin [Term] id: ECTO:9001270 name: exposure to thioacetamide def: "An exposure to thioacetamide." [] synonym: "exposure to thioacetamide" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32497 ! has exposure stimulus thioacetamide relationship: RO:0002309 CHEBI:32497 ! has exposure stimulus thioacetamide [Term] id: ECTO:9001271 name: exposure to Thiobencarb def: "An exposure to Thiobencarb." [] synonym: "exposure to Thiobencarb" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35011 ! has exposure stimulus Thiobencarb relationship: RO:0002309 CHEBI:35011 ! has exposure stimulus Thiobencarb [Term] id: ECTO:9001272 name: exposure to 4,4'-Thiodianiline def: "An exposure to 4,4'-Thiodianiline." [] synonym: "exposure to 4,4'-Thiodianiline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82374 ! has exposure stimulus 4,4'-Thiodianiline relationship: RO:0002309 CHEBI:82374 ! has exposure stimulus 4,4'-Thiodianiline [Term] id: ECTO:9001273 name: exposure to thiodicarb def: "An exposure to thiodicarb." [] synonym: "exposure to thiodicarb" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38548 ! has exposure stimulus thiodicarb relationship: RO:0002309 CHEBI:38548 ! has exposure stimulus thiodicarb [Term] id: ECTO:9001274 name: exposure to thiourea def: "An exposure to thiourea." [] synonym: "exposure to thiourea" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36946 ! has exposure stimulus thiourea relationship: RO:0002309 CHEBI:36946 ! has exposure stimulus thiourea [Term] id: ECTO:9001275 name: exposure to thiram def: "An exposure to thiram." [] synonym: "exposure to thiram" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9495 ! has exposure stimulus thiram relationship: RO:0002309 CHEBI:9495 ! has exposure stimulus thiram [Term] id: ECTO:9001276 name: exposure to thorium dioxide def: "An exposure to thorium dioxide." [] synonym: "exposure to thorium dioxide" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37339 ! has exposure stimulus thorium dioxide relationship: RO:0002309 CHEBI:37339 ! has exposure stimulus thorium dioxide [Term] id: ECTO:9001278 name: exposure to o-toluidine def: "An exposure to o-toluidine." [] synonym: "exposure to o-toluidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66892 ! has exposure stimulus o-toluidine relationship: RO:0002309 CHEBI:66892 ! has exposure stimulus o-toluidine [Term] id: ECTO:9001279 name: exposure to triadimefon def: "An exposure to triadimefon." [] synonym: "exposure to triadimefon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9665 ! has exposure stimulus triadimefon relationship: RO:0002309 CHEBI:9665 ! has exposure stimulus triadimefon [Term] id: ECTO:9001280 name: exposure to Tri-allate def: "An exposure to Tri-allate." [] synonym: "exposure to Tri-allate" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81978 ! has exposure stimulus Tri-allate relationship: RO:0002309 CHEBI:81978 ! has exposure stimulus Tri-allate [Term] id: ECTO:9001281 name: exposure to triaziquone def: "An exposure to triaziquone." [] synonym: "exposure to triaziquone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001246 ! exposure to quinone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27090 ! has exposure stimulus triaziquone relationship: RO:0002309 CHEBI:27090 ! has exposure stimulus triaziquone [Term] id: ECTO:9001282 name: exposure to tribenuron methyl def: "An exposure to tribenuron methyl." [] synonym: "exposure to tribenuron methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9678 ! has exposure stimulus tribenuron methyl relationship: RO:0002309 CHEBI:9678 ! has exposure stimulus tribenuron methyl [Term] id: ECTO:9001283 name: exposure to tribufos def: "An exposure to tribufos." [] synonym: "exposure to tribufos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38737 ! has exposure stimulus tribufos relationship: RO:0002309 CHEBI:38737 ! has exposure stimulus tribufos [Term] id: ECTO:9001284 name: exposure to trichlorfon def: "An exposure to trichlorfon." [] synonym: "exposure to trichlorfon" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000284 ! exposure to organophosphorus compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6908 ! has exposure stimulus trichlorfon relationship: RO:0002309 CHEBI:6908 ! has exposure stimulus trichlorfon [Term] id: ECTO:9001285 name: exposure to 1,2,4-trichlorobenzene def: "An exposure to 1,2,4-trichlorobenzene." [] synonym: "exposure to 1,2,4-trichlorobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28222 ! has exposure stimulus 1,2,4-trichlorobenzene relationship: RO:0002309 CHEBI:28222 ! has exposure stimulus 1,2,4-trichlorobenzene [Term] id: ECTO:9001286 name: exposure to 2,4,5-trichlorophenol def: "An exposure to 2,4,5-trichlorophenol." [] synonym: "exposure to 2,4,5-trichlorophenol" EXACT [] is_a: ECTO:9001308 ! exposure to chlorophenol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28520 ! has exposure stimulus 2,4,5-trichlorophenol relationship: RO:0002309 CHEBI:28520 ! has exposure stimulus 2,4,5-trichlorophenol [Term] id: ECTO:9001287 name: exposure to 2,4,6-trichlorophenol def: "An exposure to 2,4,6-trichlorophenol." [] synonym: "exposure to 2,4,6-trichlorophenol" EXACT [] is_a: ECTO:9001308 ! exposure to chlorophenol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28755 ! has exposure stimulus 2,4,6-trichlorophenol relationship: RO:0002309 CHEBI:28755 ! has exposure stimulus 2,4,6-trichlorophenol [Term] id: ECTO:9001288 name: exposure to 1,2,3-Trichloropropane def: "An exposure to 1,2,3-Trichloropropane." [] synonym: "exposure to 1,2,3-Trichloropropane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34036 ! has exposure stimulus 1,2,3-Trichloropropane relationship: RO:0002309 CHEBI:34036 ! has exposure stimulus 1,2,3-Trichloropropane [Term] id: ECTO:9001289 name: exposure to triethylamine def: "An exposure to triethylamine." [] synonym: "exposure to triethylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35026 ! has exposure stimulus triethylamine relationship: RO:0002309 CHEBI:35026 ! has exposure stimulus triethylamine [Term] id: ECTO:9001290 name: exposure to triforine def: "An exposure to triforine." [] synonym: "exposure to triforine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9715 ! has exposure stimulus triforine relationship: RO:0002309 CHEBI:9715 ! has exposure stimulus triforine [Term] id: ECTO:9001291 name: exposure to 1,2,4-trimethylbenzene def: "An exposure to 1,2,4-trimethylbenzene." [] synonym: "exposure to 1,2,4-trimethylbenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34039 ! has exposure stimulus 1,2,4-trimethylbenzene relationship: RO:0002309 CHEBI:34039 ! has exposure stimulus 1,2,4-trimethylbenzene [Term] id: ECTO:9001292 name: exposure to 2,3,5-trimethylphenyl methylcarbamate def: "An exposure to 2,3,5-trimethylphenyl methylcarbamate." [] synonym: "exposure to 2,3,5-trimethylphenyl methylcarbamate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38893 ! has exposure stimulus 2,3,5-trimethylphenyl methylcarbamate relationship: RO:0002309 CHEBI:38893 ! has exposure stimulus 2,3,5-trimethylphenyl methylcarbamate [Term] id: ECTO:9001293 name: exposure to fentin chloride def: "An exposure to fentin chloride." [] synonym: "exposure to fentin chloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9001388 ! exposure to organotin compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35036 ! has exposure stimulus fentin chloride relationship: RO:0002309 CHEBI:35036 ! has exposure stimulus fentin chloride [Term] id: ECTO:9001294 name: exposure to fentin hydroxide def: "An exposure to fentin hydroxide." [] synonym: "exposure to fentin hydroxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001388 ! exposure to organotin compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30473 ! has exposure stimulus fentin hydroxide relationship: RO:0002309 CHEBI:30473 ! has exposure stimulus fentin hydroxide [Term] id: ECTO:9001295 name: exposure to Tris(2,3-dibromopropyl) phosphate def: "An exposure to Tris(2,3-dibromopropyl) phosphate." [] synonym: "exposure to Tris(2,3-dibromopropyl) phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82282 ! has exposure stimulus Tris(2,3-dibromopropyl) phosphate relationship: RO:0002309 CHEBI:82282 ! has exposure stimulus Tris(2,3-dibromopropyl) phosphate [Term] id: ECTO:9001296 name: exposure to trypan blue def: "An exposure to trypan blue." [] synonym: "exposure to trypan blue" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78897 ! has exposure stimulus trypan blue relationship: RO:0002309 CHEBI:78897 ! has exposure stimulus trypan blue [Term] id: ECTO:9001298 name: exposure to vanadium def: "An exposure to vanadium molecular entity." [] synonym: "exposure to vanadium molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27275 ! has exposure stimulus vanadium molecular entity relationship: RO:0002309 CHEBI:27275 ! has exposure stimulus vanadium molecular entity [Term] id: ECTO:9001299 name: exposure to vinclozolin def: "An exposure to vinclozolin." [] synonym: "exposure to vinclozolin" EXACT [] is_a: ECTO:9000058 ! exposure to dichlorobenzene is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9986 ! has exposure stimulus vinclozolin relationship: RO:0002309 CHEBI:9986 ! has exposure stimulus vinclozolin [Term] id: ECTO:9001300 name: exposure to vinyl acetate def: "An exposure to vinyl acetate." [] synonym: "exposure to vinyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46916 ! has exposure stimulus vinyl acetate relationship: RO:0002309 CHEBI:46916 ! has exposure stimulus vinyl acetate [Term] id: ECTO:9001301 name: exposure to bromoethene def: "An exposure to bromoethene." [] synonym: "exposure to bromoethene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51311 ! has exposure stimulus bromoethene relationship: RO:0002309 CHEBI:51311 ! has exposure stimulus bromoethene [Term] id: ECTO:9001302 name: exposure to chloroethene def: "An exposure to chloroethene." [] synonym: "exposure to chloroethene" EXACT [] synonym: "exposure to vinyl chloride" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28509 ! has exposure stimulus chloroethene relationship: RO:0002309 CHEBI:28509 ! has exposure stimulus chloroethene [Term] id: ECTO:9001303 name: exposure to fluoroethene def: "An exposure to fluoroethene." [] synonym: "exposure to fluoroethene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51314 ! has exposure stimulus fluoroethene relationship: RO:0002309 CHEBI:51314 ! has exposure stimulus fluoroethene [Term] id: ECTO:9001304 name: exposure to m-xylene def: "An exposure to m-xylene." [] synonym: "exposure to m-xylene" EXACT [] is_a: ECTO:9000035 ! exposure to xylene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28488 ! has exposure stimulus m-xylene relationship: RO:0002309 CHEBI:28488 ! has exposure stimulus m-xylene [Term] id: ECTO:9001305 name: exposure to 2,6-dimethylaniline def: "An exposure to 2,6-dimethylaniline." [] synonym: "exposure to 2,6-dimethylaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28738 ! has exposure stimulus 2,6-dimethylaniline relationship: RO:0002309 CHEBI:28738 ! has exposure stimulus 2,6-dimethylaniline [Term] id: ECTO:9001306 name: exposure to elemental zinc def: "An exposure to elemental zinc." [] synonym: "exposure to elemental zinc" EXACT [] is_a: ECTO:9000954 ! exposure to zinc intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37253 ! has exposure stimulus elemental zinc relationship: RO:0002309 CHEBI:37253 ! has exposure stimulus elemental zinc [Term] id: ECTO:9001307 name: exposure to zineb def: "An exposure to zineb." [] synonym: "exposure to zineb" EXACT [] is_a: ECTO:9000409 ! exposure to salt is_a: ECTO:9000954 ! exposure to zinc intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52498 ! has exposure stimulus zineb relationship: RO:0002309 CHEBI:52498 ! has exposure stimulus zineb [Term] id: ECTO:9001308 name: exposure to chlorophenol def: "An exposure to chlorophenol." [] synonym: "exposure to chlorophenol" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23150 ! has exposure stimulus chlorophenol relationship: RO:0002309 CHEBI:23150 ! has exposure stimulus chlorophenol [Term] id: ECTO:9001309 name: exposure to diisocyanate def: "An exposure to diisocyanate." [] synonym: "exposure to diisocyanate" EXACT [] is_a: ECTO:9002153 ! exposure to isocyanates intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53213 ! has exposure stimulus diisocyanate relationship: RO:0002309 CHEBI:53213 ! has exposure stimulus diisocyanate [Term] id: ECTO:9001310 name: obsolete nickel molecular entity exposure is_obsolete: true replaced_by: ECTO:9000063 [Term] id: ECTO:9001311 name: exposure to silver def: "An exposure to silver molecular entity." [] synonym: "exposure to silver molecular entity" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33964 ! has exposure stimulus silver molecular entity relationship: RO:0002309 CHEBI:33964 ! has exposure stimulus silver molecular entity [Term] id: ECTO:9001312 name: exposure to thallium def: "An exposure to thallium molecular entity." [] synonym: "exposure to thallium molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37110 ! has exposure stimulus thallium molecular entity relationship: RO:0002309 CHEBI:37110 ! has exposure stimulus thallium molecular entity [Term] id: ECTO:9001313 name: exposure to elemental boron def: "An exposure to elemental boron." [] synonym: "exposure to elemental boron" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000173 ! exposure to boron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33609 ! has exposure stimulus elemental boron relationship: RO:0002309 CHEBI:33609 ! has exposure stimulus elemental boron [Term] id: ECTO:9001315 name: exposure to L-lysine def: "An exposure to L-lysine." [] synonym: "exposure to L-lysine" EXACT [] is_a: ECTO:9000268 ! exposure to amino acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18019 ! has exposure stimulus L-lysine relationship: RO:0002309 CHEBI:18019 ! has exposure stimulus L-lysine [Term] id: ECTO:9001316 name: exposure to benzo[a]pyrene def: "An exposure to benzo[a]pyrene." [] synonym: "exposure to benzo[a]pyrene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29865 ! has exposure stimulus benzo[a]pyrene relationship: RO:0002309 CHEBI:29865 ! has exposure stimulus benzo[a]pyrene [Term] id: ECTO:9001317 name: exposure to 1,6-Dinitropyrene def: "An exposure to 1,6-Dinitropyrene." [] synonym: "exposure to 1,6-Dinitropyrene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34066 ! has exposure stimulus 1,6-Dinitropyrene relationship: RO:0002309 CHEBI:34066 ! has exposure stimulus 1,6-Dinitropyrene [Term] id: ECTO:9001318 name: exposure to 1,8-Dinitropyrene def: "An exposure to 1,8-Dinitropyrene." [] synonym: "exposure to 1,8-Dinitropyrene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34069 ! has exposure stimulus 1,8-Dinitropyrene relationship: RO:0002309 CHEBI:34069 ! has exposure stimulus 1,8-Dinitropyrene [Term] id: ECTO:9001319 name: exposure to 5-Methylchrysene def: "An exposure to 5-Methylchrysene." [] synonym: "exposure to 5-Methylchrysene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82342 ! has exposure stimulus 5-Methylchrysene relationship: RO:0002309 CHEBI:82342 ! has exposure stimulus 5-Methylchrysene [Term] id: ECTO:9001320 name: exposure to 6-Nitrochrysene def: "An exposure to 6-Nitrochrysene." [] synonym: "exposure to 6-Nitrochrysene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82351 ! has exposure stimulus 6-Nitrochrysene relationship: RO:0002309 CHEBI:82351 ! has exposure stimulus 6-Nitrochrysene [Term] id: ECTO:9001321 name: exposure to 1-nitropyrene def: "An exposure to 1-nitropyrene." [] synonym: "exposure to 1-nitropyrene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34107 ! has exposure stimulus 1-nitropyrene relationship: RO:0002309 CHEBI:34107 ! has exposure stimulus 1-nitropyrene [Term] id: ECTO:9001322 name: exposure to 4-Nitropyrene def: "An exposure to 4-Nitropyrene." [] synonym: "exposure to 4-Nitropyrene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82355 ! has exposure stimulus 4-Nitropyrene relationship: RO:0002309 CHEBI:82355 ! has exposure stimulus 4-Nitropyrene [Term] id: ECTO:9001323 name: exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate def: "An exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate." [] synonym: "exposure to 3,3'-Dimethoxybenzidine-4,4'-diisocyanate" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82451 ! has exposure stimulus 3,3'-Dimethoxybenzidine-4,4'-diisocyanate relationship: RO:0002309 CHEBI:82451 ! has exposure stimulus 3,3'-Dimethoxybenzidine-4,4'-diisocyanate [Term] id: ECTO:9001324 name: exposure to hexamethylene diisocyanate def: "An exposure to hexamethylene diisocyanate." [] synonym: "exposure to hexamethylene diisocyanate" EXACT [] is_a: ECTO:9001309 ! exposure to diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53578 ! has exposure stimulus hexamethylene diisocyanate relationship: RO:0002309 CHEBI:53578 ! has exposure stimulus hexamethylene diisocyanate [Term] id: ECTO:9001325 name: exposure to isophorone diisocyanate def: "An exposure to isophorone diisocyanate." [] synonym: "exposure to isophorone diisocyanate" EXACT [] is_a: ECTO:9001309 ! exposure to diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53214 ! has exposure stimulus isophorone diisocyanate relationship: RO:0002309 CHEBI:53214 ! has exposure stimulus isophorone diisocyanate [Term] id: ECTO:9001326 name: exposure to 1,5-Naphthalene diisocyanate def: "An exposure to 1,5-Naphthalene diisocyanate." [] synonym: "exposure to 1,5-Naphthalene diisocyanate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82496 ! has exposure stimulus 1,5-Naphthalene diisocyanate relationship: RO:0002309 CHEBI:82496 ! has exposure stimulus 1,5-Naphthalene diisocyanate [Term] id: ECTO:9001327 name: exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin def: "An exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin." [] synonym: "exposure to 1,2,3,4,7,8-Hexachlorodibenzodioxin" EXACT [] is_a: ECTO:9001625 ! exposure to polychlorinated dibenzodioxine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81502 ! has exposure stimulus 1,2,3,4,7,8-Hexachlorodibenzodioxin relationship: RO:0002309 CHEBI:81502 ! has exposure stimulus 1,2,3,4,7,8-Hexachlorodibenzodioxin [Term] id: ECTO:9001328 name: exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin def: "An exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin." [] synonym: "exposure to 1,2,3,6,7,8-Hexachlorodibenzodioxin" EXACT [] is_a: ECTO:9001625 ! exposure to polychlorinated dibenzodioxine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81503 ! has exposure stimulus 1,2,3,6,7,8-Hexachlorodibenzodioxin relationship: RO:0002309 CHEBI:81503 ! has exposure stimulus 1,2,3,6,7,8-Hexachlorodibenzodioxin [Term] id: ECTO:9001329 name: exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin def: "An exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin." [] synonym: "exposure to 1,2,3,4,6,7,8-Heptachlorodibenzodioxin" EXACT [] is_a: ECTO:9001625 ! exposure to polychlorinated dibenzodioxine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81505 ! has exposure stimulus 1,2,3,4,6,7,8-Heptachlorodibenzodioxin relationship: RO:0002309 CHEBI:81505 ! has exposure stimulus 1,2,3,4,6,7,8-Heptachlorodibenzodioxin [Term] id: ECTO:9001330 name: exposure to 2,3,7,8-Tetrachlorodibenzofuran def: "An exposure to 2,3,7,8-Tetrachlorodibenzofuran." [] synonym: "exposure to 2,3,7,8-Tetrachlorodibenzofuran" EXACT [] is_a: ECTO:9001539 ! exposure to polychlorinated dibenzofuran intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81506 ! has exposure stimulus 2,3,7,8-Tetrachlorodibenzofuran relationship: RO:0002309 CHEBI:81506 ! has exposure stimulus 2,3,7,8-Tetrachlorodibenzofuran [Term] id: ECTO:9001331 name: exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran def: "An exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran." [] synonym: "exposure to 1,2,3,4,6,7,8-Heptachlorodibenzofuran" EXACT [] is_a: ECTO:9001539 ! exposure to polychlorinated dibenzofuran intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81513 ! has exposure stimulus 1,2,3,4,6,7,8-Heptachlorodibenzofuran relationship: RO:0002309 CHEBI:81513 ! has exposure stimulus 1,2,3,4,6,7,8-Heptachlorodibenzofuran [Term] id: ECTO:9001332 name: exposure to squalene def: "An exposure to squalene." [] synonym: "exposure to squalene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15440 ! has exposure stimulus squalene relationship: RO:0002309 CHEBI:15440 ! has exposure stimulus squalene [Term] id: ECTO:9001333 name: exposure to inulin def: "An exposure to inulin." [] synonym: "exposure to inulin" EXACT [] is_a: ECTO:9001339 ! exposure to polysaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15443 ! has exposure stimulus inulin relationship: RO:0002309 CHEBI:15443 ! has exposure stimulus inulin [Term] id: ECTO:9001334 name: exposure to primary alcohol def: "An exposure to primary alcohol." [] synonym: "exposure to primary alcohol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15734 ! has exposure stimulus primary alcohol relationship: RO:0002309 CHEBI:15734 ! has exposure stimulus primary alcohol [Term] id: ECTO:9001335 name: exposure to lycopene def: "An exposure to lycopene." [] synonym: "exposure to lycopene" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15948 ! has exposure stimulus lycopene relationship: RO:0002309 CHEBI:15948 ! has exposure stimulus lycopene [Term] id: ECTO:9001336 name: exposure to quercetin def: "An exposure to quercetin." [] synonym: "exposure to quercetin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16243 ! has exposure stimulus quercetin relationship: RO:0002309 CHEBI:16243 ! has exposure stimulus quercetin [Term] id: ECTO:9001337 name: exposure to 1H-pyrazole def: "An exposure to 1H-pyrazole." [] synonym: "exposure to 1H-pyrazole" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17241 ! has exposure stimulus 1H-pyrazole relationship: RO:0002309 CHEBI:17241 ! has exposure stimulus 1H-pyrazole [Term] id: ECTO:9001338 name: exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine def: "An exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine." [] synonym: "exposure to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17963 ! has exposure stimulus 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine relationship: RO:0002309 CHEBI:17963 ! has exposure stimulus 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine [Term] id: ECTO:9001339 name: exposure to polysaccharide def: "An exposure to polysaccharide." [] synonym: "exposure to polysaccharide" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18154 ! has exposure stimulus polysaccharide relationship: RO:0002309 CHEBI:18154 ! has exposure stimulus polysaccharide [Term] id: ECTO:9001340 name: exposure to N-methyl-N'-nitro-N-nitrosoguanidine def: "An exposure to N-methyl-N'-nitro-N-nitrosoguanidine." [] synonym: "exposure to N-methyl-N'-nitro-N-nitrosoguanidine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:21759 ! has exposure stimulus N-methyl-N'-nitro-N-nitrosoguanidine relationship: RO:0002309 CHEBI:21759 ! has exposure stimulus N-methyl-N'-nitro-N-nitrosoguanidine [Term] id: ECTO:9001341 name: exposure to alpha-tocopherol def: "An exposure to alpha-tocopherol." [] synonym: "exposure to alpha-tocopherol" EXACT [] is_a: ECTO:9000136 ! exposure to tocopherol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22470 ! has exposure stimulus α-tocopherol relationship: RO:0002309 CHEBI:22470 ! has exposure stimulus α-tocopherol [Term] id: ECTO:9001342 name: exposure to N-ethyl-N-nitrosourea def: "An exposure to N-ethyl-N-nitrosourea." [] synonym: "exposure to N-ethyl-N-nitrosourea" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23995 ! has exposure stimulus N-ethyl-N-nitrosourea relationship: RO:0002309 CHEBI:23995 ! has exposure stimulus N-ethyl-N-nitrosourea [Term] id: ECTO:9001343 name: exposure to 7,12-dimethyltetraphene def: "An exposure to 7,12-dimethyltetraphene." [] synonym: "exposure to 7,12-dimethyltetraphene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:254496 ! has exposure stimulus 7,12-dimethyltetraphene relationship: RO:0002309 CHEBI:254496 ! has exposure stimulus 7,12-dimethyltetraphene [Term] id: ECTO:9001344 name: exposure to alendronic acid def: "An exposure to alendronic acid." [] synonym: "exposure to alendronic acid" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2567 ! has exposure stimulus alendronic acid relationship: RO:0002309 CHEBI:2567 ! has exposure stimulus alendronic acid [Term] id: ECTO:9001345 name: exposure to phosphate def: "An exposure to phosphate." [] synonym: "exposure to phosphate" EXACT [] is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26020 ! has exposure stimulus phosphate relationship: RO:0002309 CHEBI:26020 ! has exposure stimulus phosphate [Term] id: ECTO:9001346 name: exposure to retinoid def: "An exposure to retinoid." [] synonym: "exposure to retinoid" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26537 ! has exposure stimulus retinoid relationship: RO:0002309 CHEBI:26537 ! has exposure stimulus retinoid [Term] id: ECTO:9001347 name: exposure to sodium chloride def: "An exposure to sodium chloride." [] synonym: "exposure to sodium chloride" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26710 ! has exposure stimulus sodium chloride relationship: RO:0002309 CHEBI:26710 ! has exposure stimulus sodium chloride [Term] id: ECTO:9001348 name: exposure to ceftriaxone def: "An exposure to ceftriaxone." [] synonym: "exposure to ceftriaxone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29007 ! has exposure stimulus ceftriaxone relationship: RO:0002309 CHEBI:29007 ! has exposure stimulus ceftriaxone [Term] id: ECTO:9001349 name: exposure to sodium nitroprusside def: "An exposure to sodium nitroprusside." [] synonym: "exposure to sodium nitroprusside" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29321 ! has exposure stimulus sodium nitroprusside relationship: RO:0002309 CHEBI:29321 ! has exposure stimulus sodium nitroprusside [Term] id: ECTO:9001350 name: exposure to potassium chloride def: "An exposure to potassium chloride." [] synonym: "exposure to potassium chloride" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32588 ! has exposure stimulus potassium chloride relationship: RO:0002309 CHEBI:32588 ! has exposure stimulus potassium chloride [Term] id: ECTO:9001351 name: exposure to technetium-99 def: "An exposure to technetium-99." [] synonym: "exposure to technetium-99" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33371 ! has exposure stimulus technetium-99 relationship: RO:0002309 CHEBI:33371 ! has exposure stimulus technetium-99 [Term] id: ECTO:9001352 name: exposure to captopril def: "An exposure to captopril." [] synonym: "exposure to captopril" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3380 ! has exposure stimulus captopril relationship: RO:0002309 CHEBI:3380 ! has exposure stimulus captopril [Term] id: ECTO:9001353 name: exposure to phenols def: "An exposure to phenols." [] synonym: "exposure to phenols" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33853 ! has exposure stimulus phenols relationship: RO:0002309 CHEBI:33853 ! has exposure stimulus phenols [Term] id: ECTO:9001354 name: exposure to carrageenan def: "An exposure to carrageenan." [] synonym: "exposure to carrageenan" EXACT [] is_a: ECTO:9001339 ! exposure to polysaccharide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3435 ! has exposure stimulus carrageenan relationship: RO:0002309 CHEBI:3435 ! has exposure stimulus carrageenan [Term] id: ECTO:9001355 name: exposure to 4-octylphenol def: "An exposure to 4-octylphenol." [] synonym: "exposure to 4-octylphenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34432 ! has exposure stimulus 4-octylphenol relationship: RO:0002309 CHEBI:34432 ! has exposure stimulus 4-octylphenol [Term] id: ECTO:9001356 name: exposure to pentolinium ion def: "An exposure to pentolinium ion." [] synonym: "exposure to pentolinium ion" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:347401 ! has exposure stimulus pentolinium ion relationship: RO:0002309 CHEBI:347401 ! has exposure stimulus pentolinium ion [Term] id: ECTO:9001357 name: exposure to ruthenium red def: "An exposure to ruthenium red." [] synonym: "exposure to ruthenium red" EXACT [] is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34956 ! has exposure stimulus ruthenium red relationship: RO:0002309 CHEBI:34956 ! has exposure stimulus ruthenium red [Term] id: ECTO:9001359 name: exposure to sulfonamide def: "An exposure to sulfonamide." [] synonym: "exposure to sulfonamide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35358 ! has exposure stimulus sulfonamide relationship: RO:0002309 CHEBI:35358 ! has exposure stimulus sulfonamide [Term] id: ECTO:9001360 name: exposure to benfotiamine def: "An exposure to benfotiamine." [] synonym: "exposure to benfotiamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41039 ! has exposure stimulus benfotiamine relationship: RO:0002309 CHEBI:41039 ! has exposure stimulus benfotiamine [Term] id: ECTO:9001361 name: exposure to diethylstilbestrol def: "An exposure to diethylstilbestrol." [] synonym: "exposure to diethylstilbestrol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41922 ! has exposure stimulus diethylstilbestrol relationship: RO:0002309 CHEBI:41922 ! has exposure stimulus diethylstilbestrol [Term] id: ECTO:9001362 name: exposure to acepromazine def: "An exposure to acepromazine." [] synonym: "exposure to acepromazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:44932 ! has exposure stimulus acepromazine relationship: RO:0002309 CHEBI:44932 ! has exposure stimulus acepromazine [Term] id: ECTO:9001363 name: exposure to dihydrocapsaicin def: "An exposure to dihydrocapsaicin." [] synonym: "exposure to dihydrocapsaicin" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46932 ! has exposure stimulus dihydrocapsaicin relationship: RO:0002309 CHEBI:46932 ! has exposure stimulus dihydrocapsaicin [Term] id: ECTO:9001364 name: exposure to 5-bromo-2'-deoxyuridine def: "An exposure to 5-bromo-2'-deoxyuridine." [] synonym: "exposure to 5-bromo-2'-deoxyuridine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:472552 ! has exposure stimulus 5-bromo-2'-deoxyuridine relationship: RO:0002309 CHEBI:472552 ! has exposure stimulus 5-bromo-2'-deoxyuridine [Term] id: ECTO:9001365 name: exposure to 4-methyl-2-oxopentanoic acid def: "An exposure to 4-methyl-2-oxopentanoic acid." [] synonym: "exposure to 4-methyl-2-oxopentanoic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48430 ! has exposure stimulus 4-methyl-2-oxopentanoic acid relationship: RO:0002309 CHEBI:48430 ! has exposure stimulus 4-methyl-2-oxopentanoic acid [Term] id: ECTO:9001366 name: exposure to angiotensin II def: "An exposure to angiotensin II." [] synonym: "exposure to angiotensin II" EXACT [] is_a: ECTO:9000517 ! exposure to angiotensin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48432 ! has exposure stimulus angiotensin II relationship: RO:0002309 CHEBI:48432 ! has exposure stimulus angiotensin II [Term] id: ECTO:9001367 name: exposure to lithium chloride def: "An exposure to lithium chloride." [] synonym: "exposure to lithium chloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48607 ! has exposure stimulus lithium chloride relationship: RO:0002309 CHEBI:48607 ! has exposure stimulus lithium chloride [Term] id: ECTO:9001368 name: exposure to naringenin def: "An exposure to naringenin." [] synonym: "exposure to naringenin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50202 ! has exposure stimulus naringenin relationship: RO:0002309 CHEBI:50202 ! has exposure stimulus naringenin [Term] id: ECTO:9001369 name: exposure to titanium dioxide nanoparticle def: "An exposure to titanium dioxide nanoparticle." [] synonym: "exposure to titanium dioxide nanoparticle" EXACT [] is_a: ECTO:9001510 ! exposure to titanium dioxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51050 ! has exposure stimulus titanium dioxide nanoparticle relationship: RO:0002309 CHEBI:51050 ! has exposure stimulus titanium dioxide nanoparticle [Term] id: ECTO:9001370 name: exposure to pristane def: "An exposure to pristane." [] synonym: "exposure to pristane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53181 ! has exposure stimulus pristane relationship: RO:0002309 CHEBI:53181 ! has exposure stimulus pristane [Term] id: ECTO:9001371 name: exposure to glyburide def: "An exposure to glyburide." [] synonym: "exposure to glyburide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001359 ! exposure to sulfonamide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5441 ! has exposure stimulus glyburide relationship: RO:0002309 CHEBI:5441 ! has exposure stimulus glyburide [Term] id: ECTO:9001372 name: exposure to pentolinium tartrate def: "An exposure to pentolinium tartrate." [] synonym: "exposure to pentolinium tartrate" EXACT [] is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:55326 ! has exposure stimulus pentolinium tartrate relationship: RO:0002309 CHEBI:55326 ! has exposure stimulus pentolinium tartrate [Term] id: ECTO:9001373 name: exposure to guanethidine def: "An exposure to guanethidine." [] synonym: "exposure to guanethidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5557 ! has exposure stimulus guanethidine relationship: RO:0002309 CHEBI:5557 ! has exposure stimulus guanethidine [Term] id: ECTO:9001374 name: exposure to isotretinoin def: "An exposure to isotretinoin." [] synonym: "exposure to isotretinoin" EXACT [] is_a: ECTO:9000216 ! exposure to retinoic acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6067 ! has exposure stimulus isotretinoin relationship: RO:0002309 CHEBI:6067 ! has exposure stimulus isotretinoin [Term] id: ECTO:9001375 name: exposure to isoprenaline def: "An exposure to isoprenaline." [] synonym: "exposure to isoprenaline" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64317 ! has exposure stimulus isoprenaline relationship: RO:0002309 CHEBI:64317 ! has exposure stimulus isoprenaline [Term] id: ECTO:9001376 name: exposure to losartan def: "An exposure to losartan." [] synonym: "exposure to losartan" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6541 ! has exposure stimulus losartan relationship: RO:0002309 CHEBI:6541 ! has exposure stimulus losartan [Term] id: ECTO:9001377 name: exposure to methacholine def: "An exposure to methacholine." [] synonym: "exposure to methacholine" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000304 ! exposure to ammonium ion intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6804 ! has exposure stimulus methacholine relationship: RO:0002309 CHEBI:6804 ! has exposure stimulus methacholine [Term] id: ECTO:9001378 name: exposure to methylene blue def: "An exposure to methylene blue." [] synonym: "exposure to methylene blue" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6872 ! has exposure stimulus methylene blue relationship: RO:0002309 CHEBI:6872 ! has exposure stimulus methylene blue [Term] id: ECTO:9001379 name: exposure to 1,2-dimethylhydrazine def: "An exposure to 1,2-dimethylhydrazine." [] synonym: "exposure to 1,2-dimethylhydrazine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73755 ! has exposure stimulus 1,2-dimethylhydrazine relationship: RO:0002309 CHEBI:73755 ! has exposure stimulus 1,2-dimethylhydrazine [Term] id: ECTO:9001380 name: exposure to chrysin def: "An exposure to chrysin." [] synonym: "exposure to chrysin" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75095 ! has exposure stimulus chrysin relationship: RO:0002309 CHEBI:75095 ! has exposure stimulus chrysin [Term] id: ECTO:9001381 name: exposure to 3-methyl-4'-dimethylaminoazobenzene def: "An exposure to 3-methyl-4'-dimethylaminoazobenzene." [] synonym: "exposure to 3-methyl-4'-dimethylaminoazobenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76329 ! has exposure stimulus 3-methyl-4'-dimethylaminoazobenzene relationship: RO:0002309 CHEBI:76329 ! has exposure stimulus 3-methyl-4'-dimethylaminoazobenzene [Term] id: ECTO:9001382 name: exposure to oxidopamine def: "An exposure to oxidopamine." [] synonym: "exposure to oxidopamine" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate is_a: ECTO:9000319 ! exposure to catecholamine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78741 ! has exposure stimulus oxidopamine relationship: RO:0002309 CHEBI:78741 ! has exposure stimulus oxidopamine [Term] id: ECTO:9001383 name: exposure to phenylephrine def: "An exposure to phenylephrine." [] synonym: "exposure to phenylephrine" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8093 ! has exposure stimulus phenylephrine relationship: RO:0002309 CHEBI:8093 ! has exposure stimulus phenylephrine [Term] id: ECTO:9001384 name: exposure to streptozocin def: "An exposure to streptozocin." [] synonym: "exposure to streptozocin" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9288 ! has exposure stimulus streptozocin relationship: RO:0002309 CHEBI:9288 ! has exposure stimulus streptozocin [Term] id: ECTO:9001385 name: exposure to trimethaphan camsylate def: "An exposure to trimethaphan camsylate." [] synonym: "exposure to trimethaphan camsylate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9729 ! has exposure stimulus trimethaphan camsylate relationship: RO:0002309 CHEBI:9729 ! has exposure stimulus trimethaphan camsylate [Term] id: ECTO:9001386 name: exposure to heroin def: "An exposure to heroin." [] synonym: "exposure to heroin" EXACT [] is_a: ECTO:9000200 ! exposure to isoquinoline alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27808 ! has exposure stimulus heroin relationship: RO:0002309 CHEBI:27808 ! has exposure stimulus heroin [Term] id: ECTO:9001387 name: obsolete triclosan exposure is_obsolete: true replaced_by: ECTO:9000078 [Term] id: ECTO:9001388 name: exposure to organotin compound def: "An exposure to organotin compound." [] synonym: "exposure to organotin compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000952 ! exposure to tin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25717 ! has exposure stimulus organotin compound relationship: RO:0002309 CHEBI:25717 ! has exposure stimulus organotin compound [Term] id: ECTO:9001389 name: exposure to organotin acaricide def: "An exposure to organotin acaricide." [] synonym: "exposure to organotin acaricide" EXACT [] is_a: ECTO:9001388 ! exposure to organotin compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39292 ! has exposure stimulus organotin acaricide relationship: RO:0002309 CHEBI:39292 ! has exposure stimulus organotin acaricide [Term] id: ECTO:9001391 name: exposure to acetic anhydride def: "An exposure to acetic anhydride." [] synonym: "exposure to acetic anhydride" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36610 ! has exposure stimulus acetic anhydride relationship: RO:0002309 CHEBI:36610 ! has exposure stimulus acetic anhydride [Term] id: ECTO:9001393 name: exposure to acetylene def: "An exposure to acetylene." [] synonym: "exposure to acetylene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27518 ! has exposure stimulus acetylene relationship: RO:0002309 CHEBI:27518 ! has exposure stimulus acetylene [Term] id: ECTO:9001394 name: obsolete acetylsalicylic acid exposure is_obsolete: true replaced_by: ECTO:9000008 [Term] id: ECTO:9001395 name: exposure to ammonium chloride def: "An exposure to ammonium chloride." [] synonym: "exposure to ammonium chloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31206 ! has exposure stimulus ammonium chloride relationship: RO:0002309 CHEBI:31206 ! has exposure stimulus ammonium chloride [Term] id: ECTO:9001396 name: exposure to arsane def: "An exposure to arsane." [] synonym: "exposure to arsane" EXACT [] is_a: ECTO:9000032 ! exposure to arsenic is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47217 ! has exposure stimulus arsane relationship: RO:0002309 CHEBI:47217 ! has exposure stimulus arsane [Term] id: ECTO:9001397 name: exposure to thiophenol def: "An exposure to thiophenol." [] synonym: "exposure to thiophenol" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48498 ! has exposure stimulus thiophenol relationship: RO:0002309 CHEBI:48498 ! has exposure stimulus thiophenol [Term] id: ECTO:9001398 name: exposure to diboron trioxide def: "An exposure to diboron trioxide." [] synonym: "exposure to diboron trioxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000173 ! exposure to boron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30163 ! has exposure stimulus diboron trioxide relationship: RO:0002309 CHEBI:30163 ! has exposure stimulus diboron trioxide [Term] id: ECTO:9001399 name: exposure to butane def: "An exposure to butane." [] synonym: "exposure to butane" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37808 ! has exposure stimulus butane relationship: RO:0002309 CHEBI:37808 ! has exposure stimulus butane [Term] id: ECTO:9001400 name: exposure to butan-2-one def: "An exposure to butan-2-one." [] synonym: "exposure to butan-2-one" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000083 ! exposure to butanone is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28398 ! has exposure stimulus butan-2-one relationship: RO:0002309 CHEBI:28398 ! has exposure stimulus butan-2-one [Term] id: ECTO:9001401 name: exposure to butyl acetate def: "An exposure to butyl acetate." [] synonym: "exposure to butyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31328 ! has exposure stimulus butyl acetate relationship: RO:0002309 CHEBI:31328 ! has exposure stimulus butyl acetate [Term] id: ECTO:9001402 name: exposure to butan-1-amine def: "An exposure to butan-1-amine." [] synonym: "exposure to butan-1-amine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:43799 ! has exposure stimulus butan-1-amine relationship: RO:0002309 CHEBI:43799 ! has exposure stimulus butan-1-amine [Term] id: ECTO:9001403 name: exposure to butyronitrile def: "An exposure to butyronitrile." [] synonym: "exposure to butyronitrile" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51937 ! has exposure stimulus butyronitrile relationship: RO:0002309 CHEBI:51937 ! has exposure stimulus butyronitrile [Term] id: ECTO:9001404 name: exposure to calcium carbonate def: "An exposure to calcium carbonate." [] synonym: "exposure to calcium carbonate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:3311 ! has exposure stimulus calcium carbonate relationship: RO:0002309 CHEBI:3311 ! has exposure stimulus calcium carbonate [Term] id: ECTO:9001405 name: exposure to calcium dihydroxide def: "An exposure to calcium dihydroxide." [] synonym: "exposure to calcium dihydroxide" EXACT [] is_a: ECTO:9000024 ! exposure to calcium hydroxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31341 ! has exposure stimulus calcium dihydroxide relationship: RO:0002309 CHEBI:31341 ! has exposure stimulus calcium dihydroxide [Term] id: ECTO:9001406 name: exposure to calcium sulfate def: "An exposure to calcium sulfate." [] synonym: "exposure to calcium sulfate" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31346 ! has exposure stimulus calcium sulfate relationship: RO:0002309 CHEBI:31346 ! has exposure stimulus calcium sulfate [Term] id: ECTO:9001407 name: exposure to camphor def: "An exposure to camphor." [] synonym: "exposure to camphor" EXACT [] is_a: ECTO:0000200 ! exposure to lipid is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36773 ! has exposure stimulus camphor relationship: RO:0002309 CHEBI:36773 ! has exposure stimulus camphor [Term] id: ECTO:9001408 name: exposure to epsilon-caprolactam def: "An exposure to epsilon-caprolactam." [] synonym: "exposure to epsilon-caprolactam" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28579 ! has exposure stimulus epsilon-caprolactam relationship: RO:0002309 CHEBI:28579 ! has exposure stimulus epsilon-caprolactam [Term] id: ECTO:9001409 name: exposure to captafol def: "An exposure to captafol." [] synonym: "exposure to captafol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81938 ! has exposure stimulus captafol relationship: RO:0002309 CHEBI:81938 ! has exposure stimulus captafol [Term] id: ECTO:9001410 name: exposure to tetrabromomethane def: "An exposure to tetrabromomethane." [] synonym: "exposure to tetrabromomethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47875 ! has exposure stimulus tetrabromomethane relationship: RO:0002309 CHEBI:47875 ! has exposure stimulus tetrabromomethane [Term] id: ECTO:9001411 name: exposure to caesium hydroxide def: "An exposure to caesium hydroxide." [] synonym: "exposure to caesium hydroxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000184 ! exposure to caesium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33988 ! has exposure stimulus caesium hydroxide relationship: RO:0002309 CHEBI:33988 ! has exposure stimulus caesium hydroxide [Term] id: ECTO:9001412 name: exposure to dioxidochlorine(.) def: "An exposure to dioxidochlorine(.)." [] synonym: "exposure to dioxidochlorine(.)" EXACT [] is_a: ECTO:9001022 ! exposure to chlorine dioxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29415 ! has exposure stimulus dioxidochlorine(.) relationship: RO:0002309 CHEBI:29415 ! has exposure stimulus dioxidochlorine(.) [Term] id: ECTO:9001413 name: exposure to trifluorochlorine def: "An exposure to trifluorochlorine." [] synonym: "exposure to trifluorochlorine" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30123 ! has exposure stimulus trifluorochlorine relationship: RO:0002309 CHEBI:30123 ! has exposure stimulus trifluorochlorine [Term] id: ECTO:9001414 name: exposure to bromochloromethane def: "An exposure to bromochloromethane." [] synonym: "exposure to bromochloromethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17194 ! has exposure stimulus bromochloromethane relationship: RO:0002309 CHEBI:17194 ! has exposure stimulus bromochloromethane [Term] id: ECTO:9001415 name: exposure to chromic acid def: "An exposure to chromic acid." [] synonym: "exposure to chromic acid" EXACT [] is_a: ECTO:9000037 ! exposure to chromium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33143 ! has exposure stimulus chromic acid relationship: RO:0002309 CHEBI:33143 ! has exposure stimulus chromic acid [Term] id: ECTO:9001416 name: exposure to dichromium trioxide def: "An exposure to dichromium trioxide." [] synonym: "exposure to dichromium trioxide" EXACT [] is_a: ECTO:9000037 ! exposure to chromium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48242 ! has exposure stimulus dichromium trioxide relationship: RO:0002309 CHEBI:48242 ! has exposure stimulus dichromium trioxide [Term] id: ECTO:9001417 name: exposure to chromyl dichloride def: "An exposure to chromyl dichloride." [] synonym: "exposure to chromyl dichloride" EXACT [] is_a: ECTO:9000037 ! exposure to chromium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33038 ! has exposure stimulus chromyl dichloride relationship: RO:0002309 CHEBI:33038 ! has exposure stimulus chromyl dichloride [Term] id: ECTO:9001418 name: exposure to cumene def: "An exposure to cumene." [] synonym: "exposure to cumene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34656 ! has exposure stimulus cumene relationship: RO:0002309 CHEBI:34656 ! has exposure stimulus cumene [Term] id: ECTO:9001419 name: exposure to cyanamide def: "An exposure to cyanamide." [] synonym: "exposure to cyanamide" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16698 ! has exposure stimulus cyanamide relationship: RO:0002309 CHEBI:16698 ! has exposure stimulus cyanamide [Term] id: ECTO:9001420 name: exposure to oxalonitrile def: "An exposure to oxalonitrile." [] synonym: "exposure to oxalonitrile" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29308 ! has exposure stimulus oxalonitrile relationship: RO:0002309 CHEBI:29308 ! has exposure stimulus oxalonitrile [Term] id: ECTO:9001421 name: exposure to cyclohexanone def: "An exposure to cyclohexanone." [] synonym: "exposure to cyclohexanone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17854 ! has exposure stimulus cyclohexanone relationship: RO:0002309 CHEBI:17854 ! has exposure stimulus cyclohexanone [Term] id: ECTO:9001422 name: exposure to cyclohexene def: "An exposure to cyclohexene." [] synonym: "exposure to cyclohexene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36404 ! has exposure stimulus cyclohexene relationship: RO:0002309 CHEBI:36404 ! has exposure stimulus cyclohexene [Term] id: ECTO:9001423 name: exposure to cyclohexylamine def: "An exposure to cyclohexylamine." [] synonym: "exposure to cyclohexylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15773 ! has exposure stimulus cyclohexylamine relationship: RO:0002309 CHEBI:15773 ! has exposure stimulus cyclohexylamine [Term] id: ECTO:9001424 name: exposure to 1,3,5-trinitro-1,3,5-triazinane def: "An exposure to 1,3,5-trinitro-1,3,5-triazinane." [] synonym: "exposure to 1,3,5-trinitro-1,3,5-triazinane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24556 ! has exposure stimulus 1,3,5-trinitro-1,3,5-triazinane relationship: RO:0002309 CHEBI:24556 ! has exposure stimulus 1,3,5-trinitro-1,3,5-triazinane [Term] id: ECTO:9001425 name: exposure to cyclopentadiene def: "An exposure to cyclopentadiene." [] synonym: "exposure to cyclopentadiene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30664 ! has exposure stimulus cyclopentadiene relationship: RO:0002309 CHEBI:30664 ! has exposure stimulus cyclopentadiene [Term] id: ECTO:9001426 name: exposure to cyclopentane def: "An exposure to cyclopentane." [] synonym: "exposure to cyclopentane" EXACT [] is_a: ECTO:9000199 ! exposure to cycloalkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23492 ! has exposure stimulus cyclopentane relationship: RO:0002309 CHEBI:23492 ! has exposure stimulus cyclopentane [Term] id: ECTO:9001427 name: exposure to diacetone alcohol def: "An exposure to diacetone alcohol." [] synonym: "exposure to diacetone alcohol" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:55381 ! has exposure stimulus diacetone alcohol relationship: RO:0002309 CHEBI:55381 ! has exposure stimulus diacetone alcohol [Term] id: ECTO:9001428 name: exposure to diborane(6) def: "An exposure to diborane(6)." [] synonym: "exposure to diborane(6)" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000173 ! exposure to boron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33590 ! has exposure stimulus diborane(6) relationship: RO:0002309 CHEBI:33590 ! has exposure stimulus diborane(6) [Term] id: ECTO:9001429 name: exposure to ferrocene def: "An exposure to ferrocene." [] synonym: "exposure to ferrocene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000087 ! exposure to iron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30672 ! has exposure stimulus ferrocene relationship: RO:0002309 CHEBI:30672 ! has exposure stimulus ferrocene [Term] id: ECTO:9001430 name: exposure to dieldrin def: "An exposure to dieldrin." [] synonym: "exposure to dieldrin" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001534 ! exposure to organochlorine insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34696 ! has exposure stimulus dieldrin relationship: RO:0002309 CHEBI:34696 ! has exposure stimulus dieldrin [Term] id: ECTO:9001431 name: exposure to 2-diethylaminoethanol def: "An exposure to 2-diethylaminoethanol." [] synonym: "exposure to 2-diethylaminoethanol" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52153 ! has exposure stimulus 2-diethylaminoethanol relationship: RO:0002309 CHEBI:52153 ! has exposure stimulus 2-diethylaminoethanol [Term] id: ECTO:9001432 name: exposure to diethylenetriamine def: "An exposure to diethylenetriamine." [] synonym: "exposure to diethylenetriamine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30629 ! has exposure stimulus diethylenetriamine relationship: RO:0002309 CHEBI:30629 ! has exposure stimulus diethylenetriamine [Term] id: ECTO:9001433 name: exposure to diethyl phthalate def: "An exposure to diethyl phthalate." [] synonym: "exposure to diethyl phthalate" EXACT [] is_a: ECTO:9000906 ! exposure to phthalate ester intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34698 ! has exposure stimulus diethyl phthalate relationship: RO:0002309 CHEBI:34698 ! has exposure stimulus diethyl phthalate [Term] id: ECTO:9001434 name: exposure to disulfiram def: "An exposure to disulfiram." [] synonym: "exposure to disulfiram" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4659 ! has exposure stimulus disulfiram relationship: RO:0002309 CHEBI:4659 ! has exposure stimulus disulfiram [Term] id: ECTO:9001435 name: exposure to disulfoton def: "An exposure to disulfoton." [] synonym: "exposure to disulfoton" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38661 ! has exposure stimulus disulfoton relationship: RO:0002309 CHEBI:38661 ! has exposure stimulus disulfoton [Term] id: ECTO:9001436 name: exposure to 2,6-di-tert-butyl-4-methylphenol def: "An exposure to 2,6-di-tert-butyl-4-methylphenol." [] synonym: "exposure to 2,6-di-tert-butyl-4-methylphenol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34247 ! has exposure stimulus 2,6-di-tert-butyl-4-methylphenol relationship: RO:0002309 CHEBI:34247 ! has exposure stimulus 2,6-di-tert-butyl-4-methylphenol [Term] id: ECTO:9001437 name: exposure to enflurane def: "An exposure to enflurane." [] synonym: "exposure to enflurane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4792 ! has exposure stimulus enflurane relationship: RO:0002309 CHEBI:4792 ! has exposure stimulus enflurane [Term] id: ECTO:9001438 name: exposure to ethanolamine def: "An exposure to ethanolamine." [] synonym: "exposure to ethanolamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16000 ! has exposure stimulus ethanolamine relationship: RO:0002309 CHEBI:16000 ! has exposure stimulus ethanolamine [Term] id: ECTO:9001439 name: exposure to ethyl acetate def: "An exposure to ethyl acetate." [] synonym: "exposure to ethyl acetate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27750 ! has exposure stimulus ethyl acetate relationship: RO:0002309 CHEBI:27750 ! has exposure stimulus ethyl acetate [Term] id: ECTO:9001440 name: exposure to ethylamine def: "An exposure to ethylamine." [] synonym: "exposure to ethylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15862 ! has exposure stimulus ethylamine relationship: RO:0002309 CHEBI:15862 ! has exposure stimulus ethylamine [Term] id: ECTO:9001441 name: exposure to 2-chloroethanol def: "An exposure to 2-chloroethanol." [] synonym: "exposure to 2-chloroethanol" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28200 ! has exposure stimulus 2-chloroethanol relationship: RO:0002309 CHEBI:28200 ! has exposure stimulus 2-chloroethanol [Term] id: ECTO:9001442 name: exposure to ethylenediamine def: "An exposure to ethylenediamine." [] synonym: "exposure to ethylenediamine" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30347 ! has exposure stimulus ethylenediamine relationship: RO:0002309 CHEBI:30347 ! has exposure stimulus ethylenediamine [Term] id: ECTO:9001443 name: exposure to diethyl ether def: "An exposure to diethyl ether." [] synonym: "exposure to diethyl ether" EXACT [] is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35702 ! has exposure stimulus diethyl ether relationship: RO:0002309 CHEBI:35702 ! has exposure stimulus diethyl ether [Term] id: ECTO:9001444 name: exposure to ethyl formate def: "An exposure to ethyl formate." [] synonym: "exposure to ethyl formate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52342 ! has exposure stimulus ethyl formate relationship: RO:0002309 CHEBI:52342 ! has exposure stimulus ethyl formate [Term] id: ECTO:9001445 name: exposure to fenamiphos def: "An exposure to fenamiphos." [] synonym: "exposure to fenamiphos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38680 ! has exposure stimulus fenamiphos relationship: RO:0002309 CHEBI:38680 ! has exposure stimulus fenamiphos [Term] id: ECTO:9001446 name: exposure to formimidic acid def: "An exposure to formimidic acid." [] synonym: "exposure to formimidic acid" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48431 ! has exposure stimulus formimidic acid relationship: RO:0002309 CHEBI:48431 ! has exposure stimulus formimidic acid [Term] id: ECTO:9001447 name: exposure to furfuryl alcohol def: "An exposure to furfuryl alcohol." [] synonym: "exposure to furfuryl alcohol" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9001334 ! exposure to primary alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:207496 ! has exposure stimulus furfuryl alcohol relationship: RO:0002309 CHEBI:207496 ! has exposure stimulus furfuryl alcohol [Term] id: ECTO:9001448 name: exposure to germane def: "An exposure to germane." [] synonym: "exposure to germane" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30443 ! has exposure stimulus germane relationship: RO:0002309 CHEBI:30443 ! has exposure stimulus germane [Term] id: ECTO:9001449 name: exposure to alditol def: "An exposure to alditol." [] synonym: "exposure to alditol" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17522 ! has exposure stimulus alditol relationship: RO:0002309 CHEBI:17522 ! has exposure stimulus alditol [Term] id: ECTO:9001450 name: exposure to halothane def: "An exposure to halothane." [] synonym: "exposure to halothane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5615 ! has exposure stimulus halothane relationship: RO:0002309 CHEBI:5615 ! has exposure stimulus halothane [Term] id: ECTO:9001452 name: exposure to hexafluoroacetone def: "An exposure to hexafluoroacetone." [] synonym: "exposure to hexafluoroacetone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39429 ! has exposure stimulus hexafluoroacetone relationship: RO:0002309 CHEBI:39429 ! has exposure stimulus hexafluoroacetone [Term] id: ECTO:9001453 name: exposure to hydrogen bromide def: "An exposure to hydrogen bromide." [] synonym: "exposure to hydrogen bromide" EXACT [] is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47266 ! has exposure stimulus hydrogen bromide relationship: RO:0002309 CHEBI:47266 ! has exposure stimulus hydrogen bromide [Term] id: ECTO:9001454 name: exposure to 1H-indene def: "An exposure to 1H-indene." [] synonym: "exposure to 1H-indene" EXACT [] is_a: ECTO:9000433 ! exposure to polycyclic arene intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:41921 ! has exposure stimulus 1H-indene relationship: RO:0002309 CHEBI:41921 ! has exposure stimulus 1H-indene [Term] id: ECTO:9001455 name: exposure to iodoform def: "An exposure to iodoform." [] synonym: "exposure to iodoform" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37758 ! has exposure stimulus iodoform relationship: RO:0002309 CHEBI:37758 ! has exposure stimulus iodoform [Term] id: ECTO:9001456 name: exposure to ferric oxide def: "An exposure to ferric oxide." [] synonym: "exposure to ferric oxide" EXACT [] is_a: ECTO:9000087 ! exposure to iron intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50819 ! has exposure stimulus ferric oxide relationship: RO:0002309 CHEBI:50819 ! has exposure stimulus ferric oxide [Term] id: ECTO:9001457 name: exposure to iron(2+) sulfate (anhydrous) def: "An exposure to iron(2+) sulfate (anhydrous)." [] synonym: "exposure to iron(2+) sulfate (anhydrous)" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75832 ! has exposure stimulus iron(2+) sulfate (anhydrous) relationship: RO:0002309 CHEBI:75832 ! has exposure stimulus iron(2+) sulfate (anhydrous) [Term] id: ECTO:9001458 name: exposure to isoamyl acetate def: "An exposure to isoamyl acetate." [] synonym: "exposure to isoamyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31725 ! has exposure stimulus isoamyl acetate relationship: RO:0002309 CHEBI:31725 ! has exposure stimulus isoamyl acetate [Term] id: ECTO:9001459 name: exposure to isoamylol def: "An exposure to isoamylol." [] synonym: "exposure to isoamylol" EXACT [] is_a: ECTO:9001334 ! exposure to primary alcohol is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15837 ! has exposure stimulus isoamylol relationship: RO:0002309 CHEBI:15837 ! has exposure stimulus isoamylol [Term] id: ECTO:9001460 name: exposure to isobutane def: "An exposure to isobutane." [] synonym: "exposure to isobutane" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30363 ! has exposure stimulus isobutane relationship: RO:0002309 CHEBI:30363 ! has exposure stimulus isobutane [Term] id: ECTO:9001461 name: exposure to isobutyl acetate def: "An exposure to isobutyl acetate." [] synonym: "exposure to isobutyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50569 ! has exposure stimulus isobutyl acetate relationship: RO:0002309 CHEBI:50569 ! has exposure stimulus isobutyl acetate [Term] id: ECTO:9001462 name: exposure to isopropylamine def: "An exposure to isopropylamine." [] synonym: "exposure to isopropylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15739 ! has exposure stimulus isopropylamine relationship: RO:0002309 CHEBI:15739 ! has exposure stimulus isopropylamine [Term] id: ECTO:9001463 name: exposure to magnesium oxide def: "An exposure to magnesium oxide." [] synonym: "exposure to magnesium oxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31794 ! has exposure stimulus magnesium oxide relationship: RO:0002309 CHEBI:31794 ! has exposure stimulus magnesium oxide [Term] id: ECTO:9001464 name: exposure to malonaldehyde def: "An exposure to malonaldehyde." [] synonym: "exposure to malonaldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:566274 ! has exposure stimulus malonaldehyde relationship: RO:0002309 CHEBI:566274 ! has exposure stimulus malonaldehyde [Term] id: ECTO:9001465 name: exposure to methoxyflurane def: "An exposure to methoxyflurane." [] synonym: "exposure to methoxyflurane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6843 ! has exposure stimulus methoxyflurane relationship: RO:0002309 CHEBI:6843 ! has exposure stimulus methoxyflurane [Term] id: ECTO:9001466 name: exposure to methyl acetate def: "An exposure to methyl acetate." [] synonym: "exposure to methyl acetate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77700 ! has exposure stimulus methyl acetate relationship: RO:0002309 CHEBI:77700 ! has exposure stimulus methyl acetate [Term] id: ECTO:9001467 name: exposure to dimethoxymethane def: "An exposure to dimethoxymethane." [] synonym: "exposure to dimethoxymethane" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48341 ! has exposure stimulus dimethoxymethane relationship: RO:0002309 CHEBI:48341 ! has exposure stimulus dimethoxymethane [Term] id: ECTO:9001468 name: exposure to heptan-2-one def: "An exposure to heptan-2-one." [] synonym: "exposure to heptan-2-one" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5672 ! has exposure stimulus heptan-2-one relationship: RO:0002309 CHEBI:5672 ! has exposure stimulus heptan-2-one [Term] id: ECTO:9001470 name: exposure to methyl formate def: "An exposure to methyl formate." [] synonym: "exposure to methyl formate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77699 ! has exposure stimulus methyl formate relationship: RO:0002309 CHEBI:77699 ! has exposure stimulus methyl formate [Term] id: ECTO:9001471 name: exposure to methanethiol def: "An exposure to methanethiol." [] synonym: "exposure to methanethiol" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16007 ! has exposure stimulus methanethiol relationship: RO:0002309 CHEBI:16007 ! has exposure stimulus methanethiol [Term] id: ECTO:9001472 name: exposure to monocrotophos def: "An exposure to monocrotophos." [] synonym: "exposure to monocrotophos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38728 ! has exposure stimulus monocrotophos relationship: RO:0002309 CHEBI:38728 ! has exposure stimulus monocrotophos [Term] id: ECTO:9001473 name: exposure to morpholine def: "An exposure to morpholine." [] synonym: "exposure to morpholine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34856 ! has exposure stimulus morpholine relationship: RO:0002309 CHEBI:34856 ! has exposure stimulus morpholine [Term] id: ECTO:9001474 name: exposure to tetracarbonylnickel def: "An exposure to tetracarbonylnickel." [] synonym: "exposure to tetracarbonylnickel" EXACT [] is_a: ECTO:9000063 ! exposure to nickel intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30372 ! has exposure stimulus tetracarbonylnickel relationship: RO:0002309 CHEBI:30372 ! has exposure stimulus tetracarbonylnickel [Term] id: ECTO:9001475 name: exposure to nitroethane def: "An exposure to nitroethane." [] synonym: "exposure to nitroethane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16268 ! has exposure stimulus nitroethane relationship: RO:0002309 CHEBI:16268 ! has exposure stimulus nitroethane [Term] id: ECTO:9001476 name: exposure to nitrogen trifluoride def: "An exposure to nitrogen trifluoride." [] synonym: "exposure to nitrogen trifluoride" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30231 ! has exposure stimulus nitrogen trifluoride relationship: RO:0002309 CHEBI:30231 ! has exposure stimulus nitrogen trifluoride [Term] id: ECTO:9001477 name: exposure to 3-nitrotoluene def: "An exposure to 3-nitrotoluene." [] synonym: "exposure to 3-nitrotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39931 ! has exposure stimulus 3-nitrotoluene relationship: RO:0002309 CHEBI:39931 ! has exposure stimulus 3-nitrotoluene [Term] id: ECTO:9001479 name: exposure to octane def: "An exposure to octane." [] synonym: "exposure to octane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17590 ! has exposure stimulus octane relationship: RO:0002309 CHEBI:17590 ! has exposure stimulus octane [Term] id: ECTO:9001480 name: exposure to oxalic acid def: "An exposure to oxalic acid." [] synonym: "exposure to oxalic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16995 ! has exposure stimulus oxalic acid relationship: RO:0002309 CHEBI:16995 ! has exposure stimulus oxalic acid [Term] id: ECTO:9001481 name: exposure to oxygen difluoride def: "An exposure to oxygen difluoride." [] synonym: "exposure to oxygen difluoride" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30494 ! has exposure stimulus oxygen difluoride relationship: RO:0002309 CHEBI:30494 ! has exposure stimulus oxygen difluoride [Term] id: ECTO:9001482 name: exposure to parathion def: "An exposure to parathion." [] synonym: "exposure to parathion" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9000404 ! exposure to nitrogen is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27928 ! has exposure stimulus parathion relationship: RO:0002309 CHEBI:27928 ! has exposure stimulus parathion [Term] id: ECTO:9001483 name: exposure to pentane def: "An exposure to pentane." [] synonym: "exposure to pentane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37830 ! has exposure stimulus pentane relationship: RO:0002309 CHEBI:37830 ! has exposure stimulus pentane [Term] id: ECTO:9001484 name: exposure to pentan-2-one def: "An exposure to pentan-2-one." [] synonym: "exposure to pentan-2-one" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16472 ! has exposure stimulus pentan-2-one relationship: RO:0002309 CHEBI:16472 ! has exposure stimulus pentan-2-one [Term] id: ECTO:9001485 name: exposure to 10H-phenothiazine def: "An exposure to 10H-phenothiazine." [] synonym: "exposure to 10H-phenothiazine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37931 ! has exposure stimulus 10H-phenothiazine relationship: RO:0002309 CHEBI:37931 ! has exposure stimulus 10H-phenothiazine [Term] id: ECTO:9001486 name: exposure to phorate def: "An exposure to phorate." [] synonym: "exposure to phorate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38764 ! has exposure stimulus phorate relationship: RO:0002309 CHEBI:38764 ! has exposure stimulus phorate [Term] id: ECTO:9001487 name: exposure to phosphane def: "An exposure to phosphane." [] synonym: "exposure to phosphane" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001226 ! exposure to phosphine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30278 ! has exposure stimulus phosphane relationship: RO:0002309 CHEBI:30278 ! has exposure stimulus phosphane [Term] id: ECTO:9001489 name: exposure to phosphoryl trichloride def: "An exposure to phosphoryl trichloride." [] synonym: "exposure to phosphoryl trichloride" EXACT [] is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30336 ! has exposure stimulus phosphoryl trichloride relationship: RO:0002309 CHEBI:30336 ! has exposure stimulus phosphoryl trichloride [Term] id: ECTO:9001490 name: exposure to phosphorus trichloride def: "An exposure to phosphorus trichloride." [] synonym: "exposure to phosphorus trichloride" EXACT [] is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30334 ! has exposure stimulus phosphorus trichloride relationship: RO:0002309 CHEBI:30334 ! has exposure stimulus phosphorus trichloride [Term] id: ECTO:9001492 name: exposure to propane def: "An exposure to propane." [] synonym: "exposure to propane" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32879 ! has exposure stimulus propane relationship: RO:0002309 CHEBI:32879 ! has exposure stimulus propane [Term] id: ECTO:9001493 name: exposure to propane-1-thiol def: "An exposure to propane-1-thiol." [] synonym: "exposure to propane-1-thiol" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8473 ! has exposure stimulus propane-1-thiol relationship: RO:0002309 CHEBI:8473 ! has exposure stimulus propane-1-thiol [Term] id: ECTO:9001494 name: exposure to propionic acid def: "An exposure to propionic acid." [] synonym: "exposure to propionic acid" EXACT [] is_a: ECTO:9000308 ! exposure to fatty acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30768 ! has exposure stimulus propionic acid relationship: RO:0002309 CHEBI:30768 ! has exposure stimulus propionic acid [Term] id: ECTO:9001495 name: exposure to propionitrile def: "An exposure to propionitrile." [] synonym: "exposure to propionitrile" EXACT [] is_a: ECTO:9001621 ! exposure to volatile organic compound is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26307 ! has exposure stimulus propionitrile relationship: RO:0002309 CHEBI:26307 ! has exposure stimulus propionitrile [Term] id: ECTO:9001496 name: exposure to resorcinol def: "An exposure to resorcinol." [] synonym: "exposure to resorcinol" EXACT [] is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27810 ! has exposure stimulus resorcinol relationship: RO:0002309 CHEBI:27810 ! has exposure stimulus resorcinol [Term] id: ECTO:9001497 name: exposure to silicon carbide def: "An exposure to silicon carbide." [] synonym: "exposure to silicon carbide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29390 ! has exposure stimulus silicon carbide relationship: RO:0002309 CHEBI:29390 ! has exposure stimulus silicon carbide [Term] id: ECTO:9001498 name: exposure to silane def: "An exposure to silane." [] synonym: "exposure to silane" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29389 ! has exposure stimulus silane relationship: RO:0002309 CHEBI:29389 ! has exposure stimulus silane [Term] id: ECTO:9001499 name: exposure to trisodium hexafluoroaluminate def: "An exposure to trisodium hexafluoroaluminate." [] synonym: "exposure to trisodium hexafluoroaluminate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39289 ! has exposure stimulus trisodium hexafluoroaluminate relationship: RO:0002309 CHEBI:39289 ! has exposure stimulus trisodium hexafluoroaluminate [Term] id: ECTO:9001500 name: exposure to stibane def: "An exposure to stibane." [] synonym: "exposure to stibane" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000939 ! exposure to antimony intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30288 ! has exposure stimulus stibane relationship: RO:0002309 CHEBI:30288 ! has exposure stimulus stibane [Term] id: ECTO:9001501 name: exposure to sulfur hexafluoride def: "An exposure to sulfur hexafluoride." [] synonym: "exposure to sulfur hexafluoride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30496 ! has exposure stimulus sulfur hexafluoride relationship: RO:0002309 CHEBI:30496 ! has exposure stimulus sulfur hexafluoride [Term] id: ECTO:9001502 name: exposure to sulfur tetrafluoride def: "An exposure to sulfur tetrafluoride." [] synonym: "exposure to sulfur tetrafluoride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30495 ! has exposure stimulus sulfur tetrafluoride relationship: RO:0002309 CHEBI:30495 ! has exposure stimulus sulfur tetrafluoride [Term] id: ECTO:9001503 name: exposure to (2,4,5-trichlorophenoxy)acetic acid def: "An exposure to (2,4,5-trichlorophenoxy)acetic acid." [] synonym: "exposure to (2,4,5-trichlorophenoxy)acetic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27903 ! has exposure stimulus (2,4,5-trichlorophenoxy)acetic acid relationship: RO:0002309 CHEBI:27903 ! has exposure stimulus (2,4,5-trichlorophenoxy)acetic acid [Term] id: ECTO:9001504 name: exposure to 1,4-diphenylbenzene def: "An exposure to 1,4-diphenylbenzene." [] synonym: "exposure to 1,4-diphenylbenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52242 ! has exposure stimulus 1,4-diphenylbenzene relationship: RO:0002309 CHEBI:52242 ! has exposure stimulus 1,4-diphenylbenzene [Term] id: ECTO:9001505 name: exposure to tetraethyllead def: "An exposure to tetraethyllead." [] synonym: "exposure to tetraethyllead" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000945 ! exposure to lead intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30182 ! has exposure stimulus tetraethyllead relationship: RO:0002309 CHEBI:30182 ! has exposure stimulus tetraethyllead [Term] id: ECTO:9001506 name: exposure to oxolane def: "An exposure to oxolane." [] synonym: "exposure to oxolane" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26911 ! has exposure stimulus oxolane relationship: RO:0002309 CHEBI:26911 ! has exposure stimulus oxolane [Term] id: ECTO:9001507 name: exposure to thioglycolic acid def: "An exposure to thioglycolic acid." [] synonym: "exposure to thioglycolic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30065 ! has exposure stimulus thioglycolic acid relationship: RO:0002309 CHEBI:30065 ! has exposure stimulus thioglycolic acid [Term] id: ECTO:9001508 name: exposure to thionyl dichloride def: "An exposure to thionyl chloride." [] synonym: "exposure to thionyl chloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29290 ! has exposure stimulus thionyl chloride relationship: RO:0002309 CHEBI:29290 ! has exposure stimulus thionyl chloride [Term] id: ECTO:9001509 name: exposure to tin dioxide def: "An exposure to tin dioxide." [] synonym: "exposure to tin dioxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000952 ! exposure to tin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52991 ! has exposure stimulus tin dioxide relationship: RO:0002309 CHEBI:52991 ! has exposure stimulus tin dioxide [Term] id: ECTO:9001510 name: exposure to titanium dioxide def: "An exposure to titanium dioxide." [] synonym: "exposure to titanium dioxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000481 ! exposure to transition element intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32234 ! has exposure stimulus titanium dioxide relationship: RO:0002309 CHEBI:32234 ! has exposure stimulus titanium dioxide [Term] id: ECTO:9001511 name: exposure to tributyl phosphate def: "An exposure to tributyl phosphate." [] synonym: "exposure to tributyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35019 ! has exposure stimulus tributyl phosphate relationship: RO:0002309 CHEBI:35019 ! has exposure stimulus tributyl phosphate [Term] id: ECTO:9001512 name: exposure to trimethylamine def: "An exposure to trimethylamine." [] synonym: "exposure to trimethylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18139 ! has exposure stimulus trimethylamine relationship: RO:0002309 CHEBI:18139 ! has exposure stimulus trimethylamine [Term] id: ECTO:9001513 name: exposure to 1,2,3-trimethylbenzene def: "An exposure to 1,2,3-trimethylbenzene." [] synonym: "exposure to 1,2,3-trimethylbenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34037 ! has exposure stimulus 1,2,3-trimethylbenzene relationship: RO:0002309 CHEBI:34037 ! has exposure stimulus 1,2,3-trimethylbenzene [Term] id: ECTO:9001514 name: exposure to 1,3,5-trimethylbenzene def: "An exposure to 1,3,5-trimethylbenzene." [] synonym: "exposure to 1,3,5-trimethylbenzene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34833 ! has exposure stimulus 1,3,5-trimethylbenzene relationship: RO:0002309 CHEBI:34833 ! has exposure stimulus 1,3,5-trimethylbenzene [Term] id: ECTO:9001515 name: exposure to triphenyl phosphate def: "An exposure to triphenyl phosphate." [] synonym: "exposure to triphenyl phosphate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35033 ! has exposure stimulus triphenyl phosphate relationship: RO:0002309 CHEBI:35033 ! has exposure stimulus triphenyl phosphate [Term] id: ECTO:9001516 name: exposure to divanadium pentaoxide def: "An exposure to divanadium pentaoxide." [] synonym: "exposure to divanadium pentaoxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001298 ! exposure to vanadium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30045 ! has exposure stimulus divanadium pentaoxide relationship: RO:0002309 CHEBI:30045 ! has exposure stimulus divanadium pentaoxide [Term] id: ECTO:9001517 name: exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one def: "An exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one." [] synonym: "exposure to 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one" EXACT [] is_a: ECTO:9000044 ! exposure to ketone is_a: ECTO:9000345 ! exposure to phenylpropanoid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:87732 ! has exposure stimulus 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one relationship: RO:0002309 CHEBI:87732 ! has exposure stimulus 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one [Term] id: ECTO:9001518 name: exposure to zinc dichloride def: "An exposure to zinc dichloride." [] synonym: "exposure to zinc dichloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt is_a: ECTO:9000954 ! exposure to zinc intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49976 ! has exposure stimulus zinc dichloride relationship: RO:0002309 CHEBI:49976 ! has exposure stimulus zinc dichloride [Term] id: ECTO:9001519 name: exposure to zinc oxide def: "An exposure to zinc oxide." [] synonym: "exposure to zinc oxide" EXACT [] is_a: ECTO:9000954 ! exposure to zinc intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36560 ! has exposure stimulus zinc oxide relationship: RO:0002309 CHEBI:36560 ! has exposure stimulus zinc oxide [Term] id: ECTO:9001520 name: exposure to azinphos-methyl def: "An exposure to azinphos-methyl." [] synonym: "exposure to azinphos-methyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:2953 ! has exposure stimulus azinphos-methyl relationship: RO:0002309 CHEBI:2953 ! has exposure stimulus azinphos-methyl [Term] id: ECTO:9001521 name: exposure to fentanyl def: "An exposure to fentanyl." [] synonym: "exposure to fentanyl" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:119915 ! has exposure stimulus fentanyl relationship: RO:0002309 CHEBI:119915 ! has exposure stimulus fentanyl [Term] id: ECTO:9001522 name: exposure to sarin def: "An exposure to sarin." [] synonym: "exposure to sarin" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75701 ! has exposure stimulus sarin relationship: RO:0002309 CHEBI:75701 ! has exposure stimulus sarin [Term] id: ECTO:9001523 name: exposure to strychnine def: "An exposure to strychnine." [] synonym: "exposure to strychnine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28973 ! has exposure stimulus strychnine relationship: RO:0002309 CHEBI:28973 ! has exposure stimulus strychnine [Term] id: ECTO:9001524 name: exposure to Ricin def: "An exposure to Ricin." [] synonym: "exposure to Ricin" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:8852 ! has exposure stimulus Ricin relationship: RO:0002309 CHEBI:8852 ! has exposure stimulus Ricin [Term] id: ECTO:9001525 name: exposure to bis(2-ethylhexyl) phthalate def: "An exposure to bis(2-ethylhexyl) phthalate." [] synonym: "exposure to bis(2-ethylhexyl) phthalate" EXACT [] is_a: ECTO:9000906 ! exposure to phthalate ester intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17747 ! has exposure stimulus bis(2-ethylhexyl) phthalate relationship: RO:0002309 CHEBI:17747 ! has exposure stimulus bis(2-ethylhexyl) phthalate [Term] id: ECTO:9001526 name: exposure to 1,1-dimethylhydrazine def: "An exposure to 1,1-dimethylhydrazine." [] synonym: "exposure to 1,1-dimethylhydrazine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18853 ! has exposure stimulus 1,1-dimethylhydrazine relationship: RO:0002309 CHEBI:18853 ! has exposure stimulus 1,1-dimethylhydrazine [Term] id: ECTO:9001527 name: exposure to 1,3-dichloropropene def: "An exposure to 1,3-dichloropropene." [] synonym: "exposure to 1,3-dichloropropene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18918 ! has exposure stimulus 1,3-dichloropropene relationship: RO:0002309 CHEBI:18918 ! has exposure stimulus 1,3-dichloropropene [Term] id: ECTO:9001528 name: exposure to sodium hydrogensulfite def: "An exposure to sodium hydrogensulfite." [] synonym: "exposure to sodium hydrogensulfite" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26709 ! has exposure stimulus sodium hydrogensulfite relationship: RO:0002309 CHEBI:26709 ! has exposure stimulus sodium hydrogensulfite [Term] id: ECTO:9001529 name: exposure to sodium fluoride def: "An exposure to sodium fluoride." [] synonym: "exposure to sodium fluoride" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001124 ! exposure to fluorine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28741 ! has exposure stimulus sodium fluoride relationship: RO:0002309 CHEBI:28741 ! has exposure stimulus sodium fluoride [Term] id: ECTO:9001530 name: exposure to mechlorethamine def: "An exposure to mechlorethamine." [] synonym: "exposure to mechlorethamine" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28925 ! has exposure stimulus mechlorethamine relationship: RO:0002309 CHEBI:28925 ! has exposure stimulus mechlorethamine [Term] id: ECTO:9001531 name: exposure to copper(2+) def: "An exposure to copper(2+)." [] synonym: "exposure to copper(2+)" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:9000288 ! exposure to copper cation intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:29036 ! has exposure stimulus copper(2+) relationship: RO:0002309 CHEBI:29036 ! has exposure stimulus copper(2+) [Term] id: ECTO:9001533 name: obsolete toluene 2,4-diisocyanate exposure is_obsolete: true replaced_by: ECTO:9000103 [Term] id: ECTO:9001534 name: exposure to organochlorine insecticide def: "An exposure to organochlorine insecticide." [] synonym: "exposure to organochlorine insecticide" EXACT [] is_a: ECTO:9001535 ! exposure to organochlorine pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25705 ! has exposure stimulus organochlorine insecticide relationship: RO:0002309 CHEBI:25705 ! has exposure stimulus organochlorine insecticide [Term] id: ECTO:9001535 name: exposure to organochlorine pesticide def: "An exposure to organochlorine pesticide." [] synonym: "exposure to organochlorine pesticide" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38656 ! has exposure stimulus organochlorine pesticide relationship: RO:0002309 CHEBI:38656 ! has exposure stimulus organochlorine pesticide [Term] id: ECTO:9001536 name: exposure to 1,4 dioxin def: "An exposure to 1,4-dioxine." [] synonym: "exposure to 1,4-dioxine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134044 ! has exposure stimulus 1,4-dioxine relationship: RO:0002309 CHEBI:134044 ! has exposure stimulus 1,4-dioxine [Term] id: ECTO:9001537 name: exposure to polychlorinated dibenzodioxines and related compounds def: "An exposure to polychlorinated dibenzodioxines and related compounds." [] synonym: "exposure to polychlorinated dibenzodioxines and related compounds" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134045 ! has exposure stimulus polychlorinated dibenzodioxines and related compounds relationship: RO:0002309 CHEBI:134045 ! has exposure stimulus polychlorinated dibenzodioxines and related compounds [Term] id: ECTO:9001538 name: exposure to polybromobiphenyl def: "An exposure to polybromobiphenyl." [] synonym: "exposure to PBB" EXACT [] synonym: "exposure to polybrominated biphenyl" EXACT [] synonym: "exposure to polybromobiphenyl" EXACT [] is_a: ECTO:9000056 ! exposure to biphenyls is_a: ECTO:9001537 ! exposure to polychlorinated dibenzodioxines and related compounds intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134049 ! has exposure stimulus polybromobiphenyl relationship: RO:0002309 CHEBI:134049 ! has exposure stimulus polybromobiphenyl [Term] id: ECTO:9001539 name: exposure to polychlorinated dibenzofuran def: "An exposure to polychlorinated dibenzofuran." [] synonym: "exposure to polychlorinated dibenzofuran" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001537 ! exposure to polychlorinated dibenzodioxines and related compounds intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134046 ! has exposure stimulus polychlorinated dibenzofuran relationship: RO:0002309 CHEBI:134046 ! has exposure stimulus polychlorinated dibenzofuran [Term] id: ECTO:9001540 name: exposure to disodium 5'-guanylate def: "An exposure to disodium 5'-guanylate." [] synonym: "exposure to disodium 5'-guanylate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:132932 ! has exposure stimulus disodium 5'-guanylate relationship: RO:0002309 CHEBI:132932 ! has exposure stimulus disodium 5'-guanylate [Term] id: ECTO:9001541 name: exposure to phenylureas def: "An exposure to phenylureas." [] synonym: "exposure to phenylureas" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134043 ! has exposure stimulus phenylureas relationship: RO:0002309 CHEBI:134043 ! has exposure stimulus phenylureas [Term] id: ECTO:9001542 name: exposure to chlorofluorocarbon def: "An exposure to chlorofluorocarbon." [] synonym: "exposure to chlorofluorocarbon" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000533 ! exposure to organofluorine compound is_a: ECTO:9001621 ! exposure to volatile organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134024 ! has exposure stimulus chlorofluorocarbon relationship: RO:0002309 CHEBI:134024 ! has exposure stimulus chlorofluorocarbon [Term] id: ECTO:9001543 name: exposure to ethylparaben def: "An exposure to ethylparaben." [] synonym: "exposure to ethylparaben" EXACT [] is_a: ECTO:9000930 ! exposure to paraben intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31575 ! has exposure stimulus ethylparaben relationship: RO:0002309 CHEBI:31575 ! has exposure stimulus ethylparaben [Term] id: ECTO:9001544 name: exposure to propylparaben def: "An exposure to propylparaben." [] synonym: "exposure to propylparaben" EXACT [] is_a: ECTO:9000930 ! exposure to paraben intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:32063 ! has exposure stimulus propylparaben relationship: RO:0002309 CHEBI:32063 ! has exposure stimulus propylparaben [Term] id: ECTO:9001545 name: exposure to hafnium atom def: "An exposure to hafnium atom." [] synonym: "exposure to hafnium atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33343 ! has exposure stimulus hafnium atom relationship: RO:0002309 CHEBI:33343 ! has exposure stimulus hafnium atom [Term] id: ECTO:9001546 name: exposure to Ammonium sulfamate def: "An exposure to Ammonium sulfamate." [] synonym: "exposure to Ammonium sulfamate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81950 ! has exposure stimulus Ammonium sulfamate relationship: RO:0002309 CHEBI:81950 ! has exposure stimulus Ammonium sulfamate [Term] id: ECTO:9001547 name: exposure to pentyl acetate def: "An exposure to pentyl acetate." [] synonym: "exposure to pentyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:87362 ! has exposure stimulus pentyl acetate relationship: RO:0002309 CHEBI:87362 ! has exposure stimulus pentyl acetate [Term] id: ECTO:9001548 name: exposure to ANTU def: "An exposure to ANTU." [] synonym: "exposure to ANTU" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82256 ! has exposure stimulus ANTU relationship: RO:0002309 CHEBI:82256 ! has exposure stimulus ANTU [Term] id: ECTO:9001550 name: exposure to barium chloride def: "An exposure to barium chloride." [] synonym: "exposure to barium chloride" EXACT [] is_a: ECTO:9000077 ! exposure to chlorine is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000409 ! exposure to salt is_a: ECTO:9000940 ! exposure to barium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63317 ! has exposure stimulus barium chloride relationship: RO:0002309 CHEBI:63317 ! has exposure stimulus barium chloride [Term] id: ECTO:9001552 name: exposure to calcium oxide def: "An exposure to calcium oxide." [] synonym: "exposure to calcium oxide" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:31344 ! has exposure stimulus calcium oxide relationship: RO:0002309 CHEBI:31344 ! has exposure stimulus calcium oxide [Term] id: ECTO:9001553 name: exposure to chloroacetaldehyde def: "An exposure to chloroacetaldehyde." [] synonym: "exposure to chloroacetaldehyde" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27871 ! has exposure stimulus chloroacetaldehyde relationship: RO:0002309 CHEBI:27871 ! has exposure stimulus chloroacetaldehyde [Term] id: ECTO:9001554 name: exposure to Chloroacetyl chloride def: "An exposure to Chloroacetyl chloride." [] synonym: "exposure to Chloroacetyl chloride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34624 ! has exposure stimulus Chloroacetyl chloride relationship: RO:0002309 CHEBI:34624 ! has exposure stimulus Chloroacetyl chloride [Term] id: ECTO:9001555 name: exposure to copper(II) oxide def: "An exposure to copper(II) oxide." [] synonym: "exposure to copper(II) oxide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000944 ! exposure to copper intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75955 ! has exposure stimulus copper(II) oxide relationship: RO:0002309 CHEBI:75955 ! has exposure stimulus copper(II) oxide [Term] id: ECTO:9001556 name: exposure to Crufomate def: "An exposure to Crufomate." [] synonym: "exposure to Crufomate" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82111 ! has exposure stimulus Crufomate relationship: RO:0002309 CHEBI:82111 ! has exposure stimulus Crufomate [Term] id: ECTO:9001557 name: exposure to Dichloroacetylene def: "An exposure to Dichloroacetylene." [] synonym: "exposure to Dichloroacetylene" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4503 ! has exposure stimulus Dichloroacetylene relationship: RO:0002309 CHEBI:4503 ! has exposure stimulus Dichloroacetylene [Term] id: ECTO:9001558 name: exposure to Bis(2-chloroethyl)ether def: "An exposure to Bis(2-chloroethyl)ether." [] synonym: "exposure to Bis(2-chloroethyl)ether" EXACT [] is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34573 ! has exposure stimulus Bis(2-chloroethyl)ether relationship: RO:0002309 CHEBI:34573 ! has exposure stimulus Bis(2-chloroethyl)ether [Term] id: ECTO:9001559 name: exposure to Dalapon def: "An exposure to Dalapon." [] synonym: "exposure to Dalapon" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81859 ! has exposure stimulus Dalapon relationship: RO:0002309 CHEBI:81859 ! has exposure stimulus Dalapon [Term] id: ECTO:9001560 name: exposure to dicrotophos def: "An exposure to dicrotophos." [] synonym: "exposure to dicrotophos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38658 ! has exposure stimulus dicrotophos relationship: RO:0002309 CHEBI:38658 ! has exposure stimulus dicrotophos [Term] id: ECTO:9001561 name: exposure to diethylamine def: "An exposure to diethylamine." [] synonym: "exposure to diethylamine" EXACT [] is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85259 ! has exposure stimulus diethylamine relationship: RO:0002309 CHEBI:85259 ! has exposure stimulus diethylamine [Term] id: ECTO:9001562 name: exposure to pentan-3-one def: "An exposure to pentan-3-one." [] synonym: "exposure to pentan-3-one" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:87755 ! has exposure stimulus pentan-3-one relationship: RO:0002309 CHEBI:87755 ! has exposure stimulus pentan-3-one [Term] id: ECTO:9001563 name: exposure to 2-Methyl-4-heptanone def: "An exposure to 2-Methyl-4-heptanone." [] synonym: "exposure to 2-Methyl-4-heptanone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:89195 ! has exposure stimulus 2-Methyl-4-heptanone relationship: RO:0002309 CHEBI:89195 ! has exposure stimulus 2-Methyl-4-heptanone [Term] id: ECTO:9001564 name: exposure to N,N-dimethylacetamide def: "An exposure to N,N-dimethylacetamide." [] synonym: "exposure to N,N-dimethylacetamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84254 ! has exposure stimulus N,N-dimethylacetamide relationship: RO:0002309 CHEBI:84254 ! has exposure stimulus N,N-dimethylacetamide [Term] id: ECTO:9001565 name: exposure to Dimethylcarbamoyl chloride def: "An exposure to Dimethylcarbamoyl chloride." [] synonym: "exposure to Dimethylcarbamoyl chloride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82280 ! has exposure stimulus Dimethylcarbamoyl chloride relationship: RO:0002309 CHEBI:82280 ! has exposure stimulus Dimethylcarbamoyl chloride [Term] id: ECTO:9001566 name: exposure to Dioxation def: "An exposure to Dioxation." [] synonym: "exposure to Dioxation" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81364 ! has exposure stimulus Dioxation relationship: RO:0002309 CHEBI:81364 ! has exposure stimulus Dioxation [Term] id: ECTO:9001567 name: exposure to 4-Heptanone def: "An exposure to 4-heptanone." [] synonym: "exposure to 4-heptanone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:89484 ! has exposure stimulus 4-heptanone relationship: RO:0002309 CHEBI:89484 ! has exposure stimulus 4-heptanone [Term] id: ECTO:9001568 name: exposure to diquat def: "An exposure to diquat." [] synonym: "exposure to diquat" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64163 ! has exposure stimulus diquat relationship: RO:0002309 CHEBI:64163 ! has exposure stimulus diquat [Term] id: ECTO:9001569 name: exposure to EPN def: "An exposure to EPN." [] synonym: "exposure to EPN" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34733 ! has exposure stimulus EPN relationship: RO:0002309 CHEBI:34733 ! has exposure stimulus EPN [Term] id: ECTO:9001570 name: exposure to heptan-3-one def: "An exposure to heptan-3-one." [] synonym: "exposure to heptan-3-one" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50139 ! has exposure stimulus heptan-3-one relationship: RO:0002309 CHEBI:50139 ! has exposure stimulus heptan-3-one [Term] id: ECTO:9001571 name: exposure to Ethylenethiourea def: "An exposure to Ethylenethiourea." [] synonym: "exposure to Ethylenethiourea" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34750 ! has exposure stimulus Ethylenethiourea relationship: RO:0002309 CHEBI:34750 ! has exposure stimulus Ethylenethiourea [Term] id: ECTO:9001572 name: exposure to fensulfothion def: "An exposure to fensulfothion." [] synonym: "exposure to fensulfothion" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34760 ! has exposure stimulus fensulfothion relationship: RO:0002309 CHEBI:34760 ! has exposure stimulus fensulfothion [Term] id: ECTO:9001573 name: exposure to fonofos def: "An exposure to fonofos." [] synonym: "exposure to fonofos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38689 ! has exposure stimulus fonofos relationship: RO:0002309 CHEBI:38689 ! has exposure stimulus fonofos [Term] id: ECTO:9001574 name: exposure to formamide def: "An exposure to formamide." [] synonym: "exposure to formamide" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16397 ! has exposure stimulus formamide relationship: RO:0002309 CHEBI:16397 ! has exposure stimulus formamide [Term] id: ECTO:9001575 name: exposure to glutaraldehyde def: "An exposure to glutaraldehyde." [] synonym: "exposure to glutaraldehyde" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64276 ! has exposure stimulus glutaraldehyde relationship: RO:0002309 CHEBI:64276 ! has exposure stimulus glutaraldehyde [Term] id: ECTO:9001576 name: exposure to glycerol def: "An exposure to glycerol." [] synonym: "exposure to glycerol" EXACT [] is_a: ECTO:9001449 ! exposure to alditol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17754 ! has exposure stimulus glycerol relationship: RO:0002309 CHEBI:17754 ! has exposure stimulus glycerol [Term] id: ECTO:9001577 name: exposure to 2-methylpentane-2,4-diol def: "An exposure to 2-methylpentane-2,4-diol." [] synonym: "exposure to 2-methylpentane-2,4-diol" EXACT [] is_a: ECTO:9002156 ! exposure to glycol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62995 ! has exposure stimulus 2-methylpentane-2,4-diol relationship: RO:0002309 CHEBI:62995 ! has exposure stimulus 2-methylpentane-2,4-diol [Term] id: ECTO:9001578 name: exposure to selane def: "An exposure to selane." [] synonym: "exposure to selane" EXACT [] is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9000950 ! exposure to selenium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16503 ! has exposure stimulus selane relationship: RO:0002309 CHEBI:16503 ! has exposure stimulus selane [Term] id: ECTO:9001579 name: exposure to elemental indium def: "An exposure to elemental indium." [] synonym: "exposure to elemental indium" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37114 ! has exposure stimulus elemental indium relationship: RO:0002309 CHEBI:37114 ! has exposure stimulus elemental indium [Term] id: ECTO:9001580 name: exposure to 3-methyl-2-butanol def: "An exposure to 3-methyl-2-butanol." [] synonym: "exposure to 3-methyl-2-butanol" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77517 ! has exposure stimulus 3-methyl-2-butanol relationship: RO:0002309 CHEBI:77517 ! has exposure stimulus 3-methyl-2-butanol [Term] id: ECTO:9001581 name: exposure to isophorone def: "An exposure to isophorone." [] synonym: "exposure to isophorone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34800 ! has exposure stimulus isophorone relationship: RO:0002309 CHEBI:34800 ! has exposure stimulus isophorone [Term] id: ECTO:9001582 name: exposure to 4-Methyl-3-penten-2-one, 9CI def: "An exposure to 4-Methyl-3-penten-2-one, 9CI." [] synonym: "exposure to 4-Methyl-3-penten-2-one, 9CI" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:89993 ! has exposure stimulus 4-Methyl-3-penten-2-one, 9CI relationship: RO:0002309 CHEBI:89993 ! has exposure stimulus 4-Methyl-3-penten-2-one, 9CI [Term] id: ECTO:9001583 name: exposure to methacrylic acid def: "An exposure to methacrylic acid." [] synonym: "exposure to methacrylic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25219 ! has exposure stimulus methacrylic acid relationship: RO:0002309 CHEBI:25219 ! has exposure stimulus methacrylic acid [Term] id: ECTO:9001584 name: exposure to p-methoxyphenol def: "An exposure to p-methoxyphenol." [] synonym: "exposure to p-methoxyphenol" EXACT [] is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9001353 ! exposure to phenols intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:69441 ! has exposure stimulus p-methoxyphenol relationship: RO:0002309 CHEBI:69441 ! has exposure stimulus p-methoxyphenol [Term] id: ECTO:9001585 name: exposure to 4,4'-methylene-bis-(2-chloroaniline) def: "An exposure to 4,4'-methylene-bis-(2-chloroaniline)." [] synonym: "exposure to 4,4'-methylene-bis-(2-chloroaniline)" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28124 ! has exposure stimulus 4,4'-methylene-bis-(2-chloroaniline) relationship: RO:0002309 CHEBI:28124 ! has exposure stimulus 4,4'-methylene-bis-(2-chloroaniline) [Term] id: ECTO:9001586 name: exposure to dicyclohexylmethane-4,4'-diisocyanate def: "An exposure to dicyclohexylmethane-4,4'-diisocyanate." [] synonym: "exposure to dicyclohexylmethane-4,4'-diisocyanate" EXACT [] is_a: ECTO:9001309 ! exposure to diisocyanate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53216 ! has exposure stimulus dicyclohexylmethane-4,4'-diisocyanate relationship: RO:0002309 CHEBI:53216 ! has exposure stimulus dicyclohexylmethane-4,4'-diisocyanate [Term] id: ECTO:9001587 name: exposure to 5-Methyl-2-hexanone def: "An exposure to 5-methyl-2-hexanone." [] synonym: "exposure to 5-methyl-2-hexanone" EXACT [] is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88432 ! has exposure stimulus 5-methyl-2-hexanone relationship: RO:0002309 CHEBI:88432 ! has exposure stimulus 5-methyl-2-hexanone [Term] id: ECTO:9001588 name: exposure to alpha-Methylstyrene def: "An exposure to alpha-Methylstyrene." [] synonym: "exposure to alpha-Methylstyrene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35060 ! has exposure stimulus alpha-Methylstyrene relationship: RO:0002309 CHEBI:35060 ! has exposure stimulus alpha-Methylstyrene [Term] id: ECTO:9001589 name: exposure to N-methylaniline def: "An exposure to N-methylaniline." [] synonym: "exposure to N-methylaniline" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000203 ! exposure to amine intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15733 ! has exposure stimulus N-methylaniline relationship: RO:0002309 CHEBI:15733 ! has exposure stimulus N-methylaniline [Term] id: ECTO:9001590 name: exposure to 4-Chloronitrobenzene def: "An exposure to 4-Chloronitrobenzene." [] synonym: "exposure to 4-Chloronitrobenzene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34399 ! has exposure stimulus 4-Chloronitrobenzene relationship: RO:0002309 CHEBI:34399 ! has exposure stimulus 4-Chloronitrobenzene [Term] id: ECTO:9001591 name: exposure to 2-nitronaphthalene def: "An exposure to 2-nitronaphthalene." [] synonym: "exposure to 2-nitronaphthalene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50637 ! has exposure stimulus 2-nitronaphthalene relationship: RO:0002309 CHEBI:50637 ! has exposure stimulus 2-nitronaphthalene [Term] id: ECTO:9001592 name: exposure to 1-nitropropane def: "An exposure to 1-nitropropane." [] synonym: "exposure to 1-nitropropane" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76261 ! has exposure stimulus 1-nitropropane relationship: RO:0002309 CHEBI:76261 ! has exposure stimulus 1-nitropropane [Term] id: ECTO:9001593 name: exposure to 4-nitrotoluene def: "An exposure to 4-nitrotoluene." [] synonym: "exposure to 4-nitrotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35227 ! has exposure stimulus 4-nitrotoluene relationship: RO:0002309 CHEBI:35227 ! has exposure stimulus 4-nitrotoluene [Term] id: ECTO:9001594 name: exposure to Phenyl glycidyl ether def: "An exposure to Phenyl glycidyl ether." [] synonym: "exposure to Phenyl glycidyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82367 ! has exposure stimulus Phenyl glycidyl ether relationship: RO:0002309 CHEBI:82367 ! has exposure stimulus Phenyl glycidyl ether [Term] id: ECTO:9001595 name: exposure to N-Phenyl-2-naphthylamine def: "An exposure to N-Phenyl-2-naphthylamine." [] synonym: "exposure to N-Phenyl-2-naphthylamine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:34877 ! has exposure stimulus N-Phenyl-2-naphthylamine relationship: RO:0002309 CHEBI:34877 ! has exposure stimulus N-Phenyl-2-naphthylamine [Term] id: ECTO:9001596 name: exposure to phosphorus pentachloride def: "An exposure to phosphorus pentachloride." [] synonym: "exposure to phosphorus pentachloride" EXACT [] is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30335 ! has exposure stimulus phosphorus pentachloride relationship: RO:0002309 CHEBI:30335 ! has exposure stimulus phosphorus pentachloride [Term] id: ECTO:9001597 name: exposure to isophthalonitrile def: "An exposure to isophthalonitrile." [] synonym: "exposure to isophthalonitrile" EXACT [] is_a: ECTO:9002139 ! exposure to nitrile intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38218 ! has exposure stimulus isophthalonitrile relationship: RO:0002309 CHEBI:38218 ! has exposure stimulus isophthalonitrile [Term] id: ECTO:9001598 name: exposure to Pindone def: "An exposure to Pindone." [] synonym: "exposure to Pindone" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000044 ! exposure to ketone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82261 ! has exposure stimulus Pindone relationship: RO:0002309 CHEBI:82261 ! has exposure stimulus Pindone [Term] id: ECTO:9001599 name: exposure to 1,3-Propane sultone def: "An exposure to 1,3-Propane sultone." [] synonym: "exposure to 1,3-Propane sultone" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82370 ! has exposure stimulus 1,3-Propane sultone relationship: RO:0002309 CHEBI:82370 ! has exposure stimulus 1,3-Propane sultone [Term] id: ECTO:9001600 name: exposure to propyl acetate def: "An exposure to propyl acetate." [] synonym: "exposure to propyl acetate" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:40116 ! has exposure stimulus propyl acetate relationship: RO:0002309 CHEBI:40116 ! has exposure stimulus propyl acetate [Term] id: ECTO:9001601 name: exposure to rhodium def: "An exposure to rhodium atom." [] synonym: "exposure to rhodium atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33359 ! has exposure stimulus rhodium atom relationship: RO:0002309 CHEBI:33359 ! has exposure stimulus rhodium atom [Term] id: ECTO:9001602 name: exposure to Fenchlorphos def: "An exposure to Fenchlorphos." [] synonym: "exposure to Fenchlorphos" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82125 ! has exposure stimulus Fenchlorphos relationship: RO:0002309 CHEBI:82125 ! has exposure stimulus Fenchlorphos [Term] id: ECTO:9001603 name: exposure to selenium hexafluoride def: "An exposure to selenium hexafluoride." [] synonym: "exposure to selenium hexafluoride" EXACT [] is_a: ECTO:9000950 ! exposure to selenium intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30434 ! has exposure stimulus selenium hexafluoride relationship: RO:0002309 CHEBI:30434 ! has exposure stimulus selenium hexafluoride [Term] id: ECTO:9001604 name: exposure to tantalum def: "An exposure to tantalum atom." [] synonym: "exposure to tantalum atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33348 ! has exposure stimulus tantalum atom relationship: RO:0002309 CHEBI:33348 ! has exposure stimulus tantalum atom [Term] id: ECTO:9001605 name: exposure to sulfotep def: "An exposure to sulfotep." [] synonym: "exposure to sulfotep" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38945 ! has exposure stimulus sulfotep relationship: RO:0002309 CHEBI:38945 ! has exposure stimulus sulfotep [Term] id: ECTO:9001606 name: exposure to tellurium hexafluoride def: "An exposure to tellurium hexafluoride." [] synonym: "exposure to tellurium hexafluoride" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30469 ! has exposure stimulus tellurium hexafluoride relationship: RO:0002309 CHEBI:30469 ! has exposure stimulus tellurium hexafluoride [Term] id: ECTO:9001607 name: exposure to TEPP def: "An exposure to TEPP." [] synonym: "exposure to TEPP" EXACT [] is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82149 ! has exposure stimulus TEPP relationship: RO:0002309 CHEBI:82149 ! has exposure stimulus TEPP [Term] id: ECTO:9001608 name: exposure to tetramethyllead def: "An exposure to tetramethyllead." [] synonym: "exposure to tetramethyllead" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000945 ! exposure to lead intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30183 ! has exposure stimulus tetramethyllead relationship: RO:0002309 CHEBI:30183 ! has exposure stimulus tetramethyllead [Term] id: ECTO:9001609 name: exposure to sodium diphosphate def: "An exposure to sodium diphosphate." [] synonym: "exposure to sodium diphosphate" EXACT [] is_a: ECTO:9000021 ! exposure to alkali metal salt is_a: ECTO:9000172 ! exposure to inorganic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71240 ! has exposure stimulus sodium diphosphate relationship: RO:0002309 CHEBI:71240 ! has exposure stimulus sodium diphosphate [Term] id: ECTO:9001610 name: exposure to N-methyl-N-picrylnitramine def: "An exposure to N-methyl-N-picrylnitramine." [] synonym: "exposure to N-methyl-N-picrylnitramine" EXACT [] is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:28950 ! has exposure stimulus N-methyl-N-picrylnitramine relationship: RO:0002309 CHEBI:28950 ! has exposure stimulus N-methyl-N-picrylnitramine [Term] id: ECTO:9001611 name: exposure to p-toluidine def: "An exposure to p-toluidine." [] synonym: "exposure to p-toluidine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37825 ! has exposure stimulus p-toluidine relationship: RO:0002309 CHEBI:37825 ! has exposure stimulus p-toluidine [Term] id: ECTO:9001612 name: exposure to trichloroacetic acid def: "An exposure to trichloroacetic acid." [] synonym: "exposure to trichloroacetic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30956 ! has exposure stimulus trichloroacetic acid relationship: RO:0002309 CHEBI:30956 ! has exposure stimulus trichloroacetic acid [Term] id: ECTO:9001613 name: exposure to 2,4,6-trinitrotoluene def: "An exposure to 2,4,6-trinitrotoluene." [] synonym: "exposure to 2,4,6-trinitrotoluene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:46053 ! has exposure stimulus 2,4,6-trinitrotoluene relationship: RO:0002309 CHEBI:46053 ! has exposure stimulus 2,4,6-trinitrotoluene [Term] id: ECTO:9001614 name: exposure to pentanal def: "An exposure to pentanal." [] synonym: "exposure to pentanal" EXACT [] is_a: ECTO:9002168 ! exposure to aldehyde intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84069 ! has exposure stimulus pentanal relationship: RO:0002309 CHEBI:84069 ! has exposure stimulus pentanal [Term] id: ECTO:9001615 name: exposure to 4-vinylcyclohexene dioxide def: "An exposure to 4-vinylcyclohexene dioxide." [] synonym: "exposure to 4-vinylcyclohexene dioxide" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59001 ! has exposure stimulus 4-vinylcyclohexene dioxide relationship: RO:0002309 CHEBI:59001 ! has exposure stimulus 4-vinylcyclohexene dioxide [Term] id: ECTO:9001616 name: exposure to Vinylidene fluoride def: "An exposure to Vinylidene fluoride." [] synonym: "exposure to Vinylidene fluoride" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82550 ! has exposure stimulus Vinylidene fluoride relationship: RO:0002309 CHEBI:82550 ! has exposure stimulus Vinylidene fluoride [Term] id: ECTO:9001617 name: exposure to zirconium def: "An exposure to zirconium atom." [] synonym: "exposure to zirconium atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33342 ! has exposure stimulus zirconium atom relationship: RO:0002309 CHEBI:33342 ! has exposure stimulus zirconium atom [Term] id: ECTO:9001618 name: exposure to Soman def: "An exposure to Soman." [] synonym: "exposure to Soman" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9195 ! has exposure stimulus Soman relationship: RO:0002309 CHEBI:9195 ! has exposure stimulus Soman [Term] id: ECTO:9001619 name: exposure to polybromodiphenyl ether def: "An exposure to polybromodiphenyl ether." [] synonym: "exposure to polybromodiphenyl ether" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9002162 ! exposure to brominated flame retardant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134094 ! has exposure stimulus polybromodiphenyl ether relationship: RO:0002309 CHEBI:134094 ! has exposure stimulus polybromodiphenyl ether [Term] id: ECTO:9001620 name: exposure to perfluorinated compound def: "An exposure to perfluorinated compound." [] synonym: "exposure to perfluorinated compound" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134091 ! has exposure stimulus perfluorinated compound relationship: RO:0002309 CHEBI:134091 ! has exposure stimulus perfluorinated compound [Term] id: ECTO:9001621 name: exposure to volatile organic compound def: "An exposure to volatile organic compound." [] synonym: "exposure to volatile organic compound" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134179 ! has exposure stimulus volatile organic compound relationship: RO:0002309 CHEBI:134179 ! has exposure stimulus volatile organic compound [Term] id: ECTO:9001622 name: exposure to perfluorobutanesulfonic acid def: "An exposure to perfluorobutanesulfonic acid." [] synonym: "exposure to perfluorobutanesulfonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:132446 ! has exposure stimulus perfluorobutanesulfonic acid relationship: RO:0002309 CHEBI:132446 ! has exposure stimulus perfluorobutanesulfonic acid [Term] id: ECTO:9001623 name: exposure to perfluorohexanesulfonic acid def: "An exposure to perfluorohexanesulfonic acid." [] synonym: "exposure to perfluorohexanesulfonic acid" EXACT [] is_a: ECTO:0000015 ! exposure to environmental material is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:132448 ! has exposure stimulus perfluorohexanesulfonic acid relationship: RO:0002309 CHEBI:132448 ! has exposure stimulus perfluorohexanesulfonic acid [Term] id: ECTO:9001624 name: exposure to arsenocholine def: "An exposure to arsenocholine." [] synonym: "exposure to arsenocholine" EXACT [] is_a: ECTO:9000534 ! exposure to organoarsenic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134092 ! has exposure stimulus arsenocholine relationship: RO:0002309 CHEBI:134092 ! has exposure stimulus arsenocholine [Term] id: ECTO:9001625 name: exposure to polychlorinated dibenzodioxine def: "An exposure to polychlorinated dibenzodioxine." [] synonym: "exposure to polychlorinated dibenzodioxine" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9001537 ! exposure to polychlorinated dibenzodioxines and related compounds intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36682 ! has exposure stimulus polychlorinated dibenzodioxine relationship: RO:0002309 CHEBI:36682 ! has exposure stimulus polychlorinated dibenzodioxine [Term] id: ECTO:9001626 name: exposure to 1,3-dichloropropane def: "An exposure to 1,3-dichloropropane." [] synonym: "exposure to 1,3-dichloropropane" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:137978 ! has exposure stimulus 1,3-dichloropropane relationship: RO:0002309 CHEBI:137978 ! has exposure stimulus 1,3-dichloropropane [Term] id: ECTO:9001627 name: exposure to inorganic acid def: "An exposure to inorganic acid." [] synonym: "exposure to inorganic acid" EXACT [] is_a: ECTO:0000650 ! exposure to Bronsted acid intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138103 ! has exposure stimulus inorganic acid relationship: RO:0002309 CHEBI:138103 ! has exposure stimulus inorganic acid [Term] id: ECTO:9001628 name: exposure to gas molecular entity def: "An exposure to gas molecular entity." [] synonym: "exposure to gas molecular entity" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138675 ! has exposure stimulus gas molecular entity relationship: RO:0002309 CHEBI:138675 ! has exposure stimulus gas molecular entity [Term] id: ECTO:9001629 name: exposure to 2-bromophenyl 2,4-dibromophenyl ether def: "An exposure to 2-bromophenyl 2,4-dibromophenyl ether." [] synonym: "exposure to 2-bromophenyl 2,4-dibromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138001 ! has exposure stimulus 2-bromophenyl 2,4-dibromophenyl ether relationship: RO:0002309 CHEBI:138001 ! has exposure stimulus 2-bromophenyl 2,4-dibromophenyl ether [Term] id: ECTO:9001630 name: exposure to endocrine disruptor def: "An exposure to endocrine disruptor." [] synonym: "exposure to endocrine disruptor" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138015 ! has exposure stimulus endocrine disruptor relationship: RO:0002309 CHEBI:138015 ! has exposure stimulus endocrine disruptor [Term] id: ECTO:9001631 name: exposure to metalloid def: "An exposure to metalloid atom." [] synonym: "exposure to metalloid atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:137980 ! has exposure stimulus metalloid atom relationship: RO:0002309 CHEBI:137980 ! has exposure stimulus metalloid atom [Term] id: ECTO:9001632 name: exposure to 4-bromophenyl 2,4-dibromophenyl ether def: "An exposure to 4-bromophenyl 2,4-dibromophenyl ether." [] synonym: "exposure to 4-bromophenyl 2,4-dibromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138036 ! has exposure stimulus 4-bromophenyl 2,4-dibromophenyl ether relationship: RO:0002309 CHEBI:138036 ! has exposure stimulus 4-bromophenyl 2,4-dibromophenyl ether [Term] id: ECTO:9001633 name: exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether def: "An exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether." [] synonym: "exposure to 2,4-dibromophenyl 3,4-dibromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138038 ! has exposure stimulus 2,4-dibromophenyl 3,4-dibromophenyl ether relationship: RO:0002309 CHEBI:138038 ! has exposure stimulus 2,4-dibromophenyl 3,4-dibromophenyl ether [Term] id: ECTO:9001634 name: exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether def: "An exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether." [] synonym: "exposure to 2,4-dibromophenyl 2,3,4-tribromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138064 ! has exposure stimulus 2,4-dibromophenyl 2,3,4-tribromophenyl ether relationship: RO:0002309 CHEBI:138064 ! has exposure stimulus 2,4-dibromophenyl 2,3,4-tribromophenyl ether [Term] id: ECTO:9001635 name: exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether def: "An exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether." [] synonym: "exposure to 2,4-dibromophenyl 2,4,6-tribromophenyl ether" EXACT [] is_a: ECTO:9001619 ! exposure to polybromodiphenyl ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138065 ! has exposure stimulus 2,4-dibromophenyl 2,4,6-tribromophenyl ether relationship: RO:0002309 CHEBI:138065 ! has exposure stimulus 2,4-dibromophenyl 2,4,6-tribromophenyl ether [Term] id: ECTO:9001636 name: exposure to 2,2',4,4',5,5'-hexabromobiphenyl def: "An exposure to 2,2',4,4',5,5'-hexabromobiphenyl." [] synonym: "exposure to 2,2',4,4',5,5'-hexabromobiphenyl" EXACT [] is_a: ECTO:9001538 ! exposure to polybromobiphenyl is_a: ECTO:9002162 ! exposure to brominated flame retardant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134050 ! has exposure stimulus 2,2',4,4',5,5'-hexabromobiphenyl relationship: RO:0002309 CHEBI:134050 ! has exposure stimulus 2,2',4,4',5,5'-hexabromobiphenyl [Term] id: ECTO:9001637 name: exposure to perfluorooctanesulfonamide def: "An exposure to perfluorooctanesulfonamide." [] synonym: "exposure to perfluorooctanesulfonamide" EXACT [] is_a: ECTO:9001359 ! exposure to sulfonamide is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:138089 ! has exposure stimulus perfluorooctanesulfonamide relationship: RO:0002309 CHEBI:138089 ! has exposure stimulus perfluorooctanesulfonamide [Term] id: ECTO:9001638 name: exposure to trimethylarsine oxide def: "An exposure to trimethylarsine oxide." [] synonym: "exposure to trimethylarsine oxide" EXACT [] is_a: ECTO:9000032 ! exposure to arsenic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27131 ! has exposure stimulus trimethylarsine oxide relationship: RO:0002309 CHEBI:27131 ! has exposure stimulus trimethylarsine oxide [Term] id: ECTO:9001639 name: exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor def: "An exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor." [] synonym: "exposure to EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:131699 ! has exposure stimulus EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor relationship: RO:0002309 CHEBI:131699 ! has exposure stimulus EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor [Term] id: ECTO:9001640 name: exposure to electron donor def: "An exposure to electron donor." [] synonym: "exposure to electron donor" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15022 ! has exposure stimulus electron donor relationship: RO:0002309 CHEBI:15022 ! has exposure stimulus electron donor [Term] id: ECTO:9001641 name: exposure to electron acceptor def: "An exposure to electron acceptor." [] synonym: "exposure to electron acceptor" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17654 ! has exposure stimulus electron acceptor relationship: RO:0002309 CHEBI:17654 ! has exposure stimulus electron acceptor [Term] id: ECTO:9001642 name: exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor def: "An exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor." [] synonym: "exposure to EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:20569 ! has exposure stimulus EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor relationship: RO:0002309 CHEBI:20569 ! has exposure stimulus EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor [Term] id: ECTO:9001643 name: obsolete vitamin C exposure is_obsolete: true replaced_by: ECTO:9000143 [Term] id: ECTO:9001644 name: exposure to acaricide def: "An exposure to acaricide." [] synonym: "exposure to acaricide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22153 ! has exposure stimulus acaricide relationship: RO:0002309 CHEBI:22153 ! has exposure stimulus acaricide [Term] id: ECTO:9001645 name: exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor def: "An exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor." [] synonym: "exposure to EC 2.2.1.6 (acetolactate synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22180 ! has exposure stimulus EC 2.2.1.6 (acetolactate synthase) inhibitor relationship: RO:0002309 CHEBI:22180 ! has exposure stimulus EC 2.2.1.6 (acetolactate synthase) inhibitor [Term] id: ECTO:9001647 name: exposure to antioxidant def: "An exposure to antioxidant." [] synonym: "exposure to antioxidant" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22586 ! has exposure stimulus antioxidant relationship: RO:0002309 CHEBI:22586 ! has exposure stimulus antioxidant [Term] id: ECTO:9001648 name: exposure to antiviral agent def: "An exposure to antiviral agent." [] synonym: "exposure to antiviral agent" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22587 ! has exposure stimulus antiviral agent relationship: RO:0002309 CHEBI:22587 ! has exposure stimulus antiviral agent [Term] id: ECTO:9001649 name: exposure to auxin def: "An exposure to auxin." [] synonym: "exposure to auxin" EXACT [] is_a: ECTO:9001766 ! exposure to plant hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22676 ! has exposure stimulus auxin relationship: RO:0002309 CHEBI:22676 ! has exposure stimulus auxin [Term] id: ECTO:9001650 name: exposure to phytogenic insecticide def: "An exposure to phytogenic insecticide." [] synonym: "exposure to phytogenic insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22917 ! has exposure stimulus phytogenic insecticide relationship: RO:0002309 CHEBI:22917 ! has exposure stimulus phytogenic insecticide [Term] id: ECTO:9001651 name: exposure to calcium ionophore def: "An exposure to calcium ionophore." [] synonym: "exposure to calcium ionophore" EXACT [] is_a: ECTO:9001669 ! exposure to ionophore intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22986 ! has exposure stimulus calcium ionophore relationship: RO:0002309 CHEBI:22986 ! has exposure stimulus calcium ionophore [Term] id: ECTO:9001652 name: exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor def: "An exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor." [] synonym: "exposure to EC 4.2.1.1 (carbonic anhydrase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23018 ! has exposure stimulus EC 4.2.1.1 (carbonic anhydrase) inhibitor relationship: RO:0002309 CHEBI:23018 ! has exposure stimulus EC 4.2.1.1 (carbonic anhydrase) inhibitor [Term] id: ECTO:9001653 name: exposure to chromophore def: "An exposure to chromophore." [] synonym: "exposure to chromophore" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23240 ! has exposure stimulus chromophore relationship: RO:0002309 CHEBI:23240 ! has exposure stimulus chromophore [Term] id: ECTO:9001654 name: exposure to coenzyme def: "An exposure to coenzyme." [] synonym: "exposure to coenzyme" EXACT [] is_a: ECTO:9001655 ! exposure to cofactor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23354 ! has exposure stimulus coenzyme relationship: RO:0002309 CHEBI:23354 ! has exposure stimulus coenzyme [Term] id: ECTO:9001655 name: exposure to cofactor def: "An exposure to cofactor." [] synonym: "exposure to cofactor" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23357 ! has exposure stimulus cofactor relationship: RO:0002309 CHEBI:23357 ! has exposure stimulus cofactor [Term] id: ECTO:9001656 name: exposure to compatible osmolytes def: "An exposure to compatible osmolytes." [] synonym: "exposure to compatible osmolytes" EXACT [] is_a: ECTO:9001678 ! exposure to osmolyte intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23366 ! has exposure stimulus compatible osmolytes relationship: RO:0002309 CHEBI:23366 ! has exposure stimulus compatible osmolytes [Term] id: ECTO:9001657 name: exposure to cytokinin def: "An exposure to cytokinin." [] synonym: "exposure to cytokinin" EXACT [] is_a: ECTO:9001766 ! exposure to plant hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23530 ! has exposure stimulus cytokinin relationship: RO:0002309 CHEBI:23530 ! has exposure stimulus cytokinin [Term] id: ECTO:9001658 name: exposure to defoliant def: "An exposure to defoliant." [] synonym: "exposure to defoliant" EXACT [] is_a: ECTO:0000515 ! exposure to herbicide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23582 ! has exposure stimulus defoliant relationship: RO:0002309 CHEBI:23582 ! has exposure stimulus defoliant [Term] id: ECTO:9001660 name: exposure to ethylene releasers def: "An exposure to ethylene releasers." [] synonym: "exposure to ethylene releasers" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24002 ! has exposure stimulus ethylene releasers relationship: RO:0002309 CHEBI:24002 ! has exposure stimulus ethylene releasers [Term] id: ECTO:9001661 name: exposure to fat-soluble vitamin def: "An exposure to fat-soluble vitamin (role)." [] synonym: "exposure to fat-soluble vitamin (role)" EXACT [] is_a: ECTO:9001691 ! exposure to vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24020 ! has exposure stimulus fat-soluble vitamin (role) relationship: RO:0002309 CHEBI:24020 ! has exposure stimulus fat-soluble vitamin (role) [Term] id: ECTO:9001662 name: exposure to iron(3+) chelator def: "An exposure to iron(3+) chelator." [] synonym: "exposure to iron(3+) chelator" EXACT [] is_a: ECTO:9001779 ! exposure to iron chelator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24028 ! has exposure stimulus iron(3+) chelator relationship: RO:0002309 CHEBI:24028 ! has exposure stimulus iron(3+) chelator [Term] id: ECTO:9001664 name: exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor def: "An exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor." [] synonym: "exposure to EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24319 ! has exposure stimulus EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor relationship: RO:0002309 CHEBI:24319 ! has exposure stimulus EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor [Term] id: ECTO:9001668 name: exposure to intercalator def: "An exposure to intercalator." [] synonym: "exposure to intercalator" EXACT [] is_a: ECTO:0000523 ! exposure to mutagen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24853 ! has exposure stimulus intercalator relationship: RO:0002309 CHEBI:24853 ! has exposure stimulus intercalator [Term] id: ECTO:9001669 name: exposure to ionophore def: "An exposure to ionophore." [] synonym: "exposure to ionophore" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24869 ! has exposure stimulus ionophore relationship: RO:0002309 CHEBI:24869 ! has exposure stimulus ionophore [Term] id: ECTO:9001670 name: exposure to jasmonates def: "An exposure to jasmonates." [] synonym: "exposure to jasmonates" EXACT [] is_a: ECTO:9001766 ! exposure to plant hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24937 ! has exposure stimulus jasmonates relationship: RO:0002309 CHEBI:24937 ! has exposure stimulus jasmonates [Term] id: ECTO:9001674 name: exposure to nematicide def: "An exposure to nematicide." [] synonym: "exposure to nematicide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25491 ! has exposure stimulus nematicide relationship: RO:0002309 CHEBI:25491 ! has exposure stimulus nematicide [Term] id: ECTO:9001676 name: exposure to neonicotinoid insectide def: "An exposure to neonicotinoid insectide." [] synonym: "exposure to neonicotinoid insectide" EXACT [] is_a: ECTO:0000730 ! exposure to neurotoxin is_a: ECTO:9000089 ! exposure to insecticide is_a: ECTO:9001803 ! exposure to nicotinic acetylcholine receptor agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25540 ! has exposure stimulus neonicotinoid insectide relationship: RO:0002309 CHEBI:25540 ! has exposure stimulus neonicotinoid insectide [Term] id: ECTO:9001677 name: exposure to nucleoside antibiotic def: "An exposure to nucleoside antibiotic." [] synonym: "exposure to nucleoside antibiotic" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25605 ! has exposure stimulus nucleoside antibiotic relationship: RO:0002309 CHEBI:25605 ! has exposure stimulus nucleoside antibiotic [Term] id: ECTO:9001678 name: exposure to osmolyte def: "An exposure to osmolyte." [] synonym: "exposure to osmolyte" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25728 ! has exposure stimulus osmolyte relationship: RO:0002309 CHEBI:25728 ! has exposure stimulus osmolyte [Term] id: ECTO:9001680 name: exposure to pheromone def: "An exposure to pheromone." [] synonym: "exposure to pheromone" EXACT [] is_a: ECTO:0000543 ! exposure to molecular messenger intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26013 ! has exposure stimulus pheromone relationship: RO:0002309 CHEBI:26013 ! has exposure stimulus pheromone [Term] id: ECTO:9001681 name: exposure to phytoalexin def: "An exposure to phytoalexin." [] synonym: "exposure to phytoalexin" EXACT [] is_a: ECTO:9001782 ! exposure to phytotoxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26115 ! has exposure stimulus phytoalexin relationship: RO:0002309 CHEBI:26115 ! has exposure stimulus phytoalexin [Term] id: ECTO:9001682 name: exposure to biological pigment def: "An exposure to biological pigment." [] synonym: "exposure to biological pigment" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26130 ! has exposure stimulus biological pigment relationship: RO:0002309 CHEBI:26130 ! has exposure stimulus biological pigment [Term] id: ECTO:9001683 name: exposure to prosthetic group def: "An exposure to prosthetic group." [] synonym: "exposure to prosthetic group" EXACT [] is_a: ECTO:9001655 ! exposure to cofactor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26348 ! has exposure stimulus prosthetic group relationship: RO:0002309 CHEBI:26348 ! has exposure stimulus prosthetic group [Term] id: ECTO:9001684 name: exposure to siderophore def: "An exposure to siderophore." [] synonym: "exposure to siderophore" EXACT [] is_a: ECTO:9001655 ! exposure to cofactor is_a: ECTO:9001662 ! exposure to iron(3+) chelator is_a: ECTO:9001669 ! exposure to ionophore intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26672 ! has exposure stimulus siderophore relationship: RO:0002309 CHEBI:26672 ! has exposure stimulus siderophore [Term] id: ECTO:9001685 name: exposure to synthetic auxin def: "An exposure to synthetic auxin." [] synonym: "exposure to synthetic auxin" EXACT [] is_a: ECTO:9001649 ! exposure to auxin is_a: ECTO:9001746 ! exposure to xenobiotic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26841 ! has exposure stimulus synthetic auxin relationship: RO:0002309 CHEBI:26841 ! has exposure stimulus synthetic auxin [Term] id: ECTO:9001687 name: exposure to micronutrient def: "An exposure to micronutrient." [] synonym: "exposure to micronutrient" EXACT [] is_a: ECTO:9001695 ! exposure to nutrient intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27027 ! has exposure stimulus micronutrient relationship: RO:0002309 CHEBI:27027 ! has exposure stimulus micronutrient [Term] id: ECTO:9001688 name: exposure to volatile oil component def: "An exposure to volatile oil component." [] synonym: "exposure to volatile oil component" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27311 ! has exposure stimulus volatile oil component relationship: RO:0002309 CHEBI:27311 ! has exposure stimulus volatile oil component [Term] id: ECTO:9001689 name: exposure to water-soluble vitamin def: "An exposure to water-soluble vitamin (role)." [] synonym: "exposure to water-soluble vitamin (role)" EXACT [] is_a: ECTO:9001691 ! exposure to vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27314 ! has exposure stimulus water-soluble vitamin (role) relationship: RO:0002309 CHEBI:27314 ! has exposure stimulus water-soluble vitamin (role) [Term] id: ECTO:9001690 name: exposure to detergent def: "An exposure to detergent." [] synonym: "exposure to detergent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27780 ! has exposure stimulus detergent relationship: RO:0002309 CHEBI:27780 ! has exposure stimulus detergent [Term] id: ECTO:9001691 name: exposure to vitamin def: "An exposure to vitamin (role)." [] synonym: "exposure to vitamin (role)" EXACT [] is_a: ECTO:9001687 ! exposure to micronutrient intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33229 ! has exposure stimulus vitamin (role) relationship: RO:0002309 CHEBI:33229 ! has exposure stimulus vitamin (role) [Term] id: ECTO:9001694 name: exposure to antibacterial agent def: "An exposure to antibacterial agent." [] synonym: "exposure to antibacterial agent" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33282 ! has exposure stimulus antibacterial agent relationship: RO:0002309 CHEBI:33282 ! has exposure stimulus antibacterial agent [Term] id: ECTO:9001695 name: exposure to nutrient def: "An exposure to nutrient." [] synonym: "exposure to nutrient" EXACT [] is_a: ECTO:9002063 ! exposure to food component intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33284 ! has exposure stimulus nutrient relationship: RO:0002309 CHEBI:33284 ! has exposure stimulus nutrient [Term] id: ECTO:9001696 name: exposure to agrochemical def: "An exposure to agrochemical." [] synonym: "exposure to agrochemical" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33286 ! has exposure stimulus agrochemical relationship: RO:0002309 CHEBI:33286 ! has exposure stimulus agrochemical [Term] id: ECTO:9001698 name: exposure to avicide def: "An exposure to avicide." [] synonym: "exposure to avicide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33289 ! has exposure stimulus avicide relationship: RO:0002309 CHEBI:33289 ! has exposure stimulus avicide [Term] id: ECTO:9001699 name: exposure to fuel def: "An exposure to fuel." [] synonym: "exposure to fuel" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33292 ! has exposure stimulus fuel relationship: RO:0002309 CHEBI:33292 ! has exposure stimulus fuel [Term] id: ECTO:9001700 name: exposure to diagnostic agent def: "An exposure to diagnostic agent." [] synonym: "exposure to diagnostic agent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33295 ! has exposure stimulus diagnostic agent relationship: RO:0002309 CHEBI:33295 ! has exposure stimulus diagnostic agent [Term] id: ECTO:9001701 name: exposure to reagent def: "An exposure to reagent." [] synonym: "exposure to reagent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33893 ! has exposure stimulus reagent relationship: RO:0002309 CHEBI:33893 ! has exposure stimulus reagent [Term] id: ECTO:9001702 name: exposure to macronutrient def: "An exposure to macronutrient." [] synonym: "exposure to macronutrient" EXACT [] is_a: ECTO:9001695 ! exposure to nutrient intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33937 ! has exposure stimulus macronutrient relationship: RO:0002309 CHEBI:33937 ! has exposure stimulus macronutrient [Term] id: ECTO:9001703 name: exposure to tracer def: "An exposure to tracer." [] synonym: "exposure to tracer" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35204 ! has exposure stimulus tracer relationship: RO:0002309 CHEBI:35204 ! has exposure stimulus tracer [Term] id: ECTO:9001704 name: exposure to plant growth retardant def: "An exposure to plant growth retardant." [] synonym: "exposure to plant growth retardant" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35219 ! has exposure stimulus plant growth retardant relationship: RO:0002309 CHEBI:35219 ! has exposure stimulus plant growth retardant [Term] id: ECTO:9001705 name: exposure to antimetabolite def: "An exposure to antimetabolite." [] synonym: "exposure to antimetabolite" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35221 ! has exposure stimulus antimetabolite relationship: RO:0002309 CHEBI:35221 ! has exposure stimulus antimetabolite [Term] id: ECTO:9001707 name: exposure to catalyst def: "An exposure to catalyst." [] synonym: "exposure to catalyst" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35223 ! has exposure stimulus catalyst relationship: RO:0002309 CHEBI:35223 ! has exposure stimulus catalyst [Term] id: ECTO:9001708 name: exposure to effector def: "An exposure to effector." [] synonym: "exposure to effector" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35224 ! has exposure stimulus effector relationship: RO:0002309 CHEBI:35224 ! has exposure stimulus effector [Term] id: ECTO:9001709 name: exposure to fossil fuel def: "An exposure to fossil fuel." [] synonym: "exposure to fossil fuel" EXACT [] is_a: ECTO:9001699 ! exposure to fuel intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35230 ! has exposure stimulus fossil fuel relationship: RO:0002309 CHEBI:35230 ! has exposure stimulus fossil fuel [Term] id: ECTO:9001710 name: exposure to central nervous system stimulant def: "An exposure to central nervous system stimulant." [] synonym: "exposure to central nervous system stimulant" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35337 ! has exposure stimulus central nervous system stimulant relationship: RO:0002309 CHEBI:35337 ! has exposure stimulus central nervous system stimulant [Term] id: ECTO:9001711 name: exposure to antiinfective agent def: "An exposure to antiinfective agent." [] synonym: "exposure to antiinfective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35441 ! has exposure stimulus antiinfective agent relationship: RO:0002309 CHEBI:35441 ! has exposure stimulus antiinfective agent [Term] id: ECTO:9001712 name: exposure to antiparasitic agent def: "An exposure to antiparasitic agent." [] synonym: "exposure to antiparasitic agent" EXACT [] is_a: ECTO:9001711 ! exposure to antiinfective agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35442 ! has exposure stimulus antiparasitic agent relationship: RO:0002309 CHEBI:35442 ! has exposure stimulus antiparasitic agent [Term] id: ECTO:9001713 name: exposure to anthelminthic drug def: "An exposure to anthelminthic drug." [] synonym: "exposure to anthelminthic drug" EXACT [] is_a: ECTO:9001712 ! exposure to antiparasitic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35443 ! has exposure stimulus anthelminthic drug relationship: RO:0002309 CHEBI:35443 ! has exposure stimulus anthelminthic drug [Term] id: ECTO:9001714 name: exposure to antinematodal drug def: "An exposure to antinematodal drug." [] synonym: "exposure to antinematodal drug" EXACT [] is_a: ECTO:9001674 ! exposure to nematicide is_a: ECTO:9001713 ! exposure to anthelminthic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35444 ! has exposure stimulus antinematodal drug relationship: RO:0002309 CHEBI:35444 ! has exposure stimulus antinematodal drug [Term] id: ECTO:9001715 name: exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor def: "An exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor." [] synonym: "exposure to EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor is_a: ECTO:9001744 ! exposure to antihypertensive agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35457 ! has exposure stimulus EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor relationship: RO:0002309 CHEBI:35457 ! has exposure stimulus EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor [Term] id: ECTO:9001716 name: exposure to antidepressant def: "An exposure to antidepressant." [] synonym: "exposure to antidepressant" EXACT [] is_a: ECTO:9001717 ! exposure to psychotropic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35469 ! has exposure stimulus antidepressant relationship: RO:0002309 CHEBI:35469 ! has exposure stimulus antidepressant [Term] id: ECTO:9001717 name: exposure to psychotropic drug def: "An exposure to psychotropic drug." [] synonym: "exposure to psychotropic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35471 ! has exposure stimulus psychotropic drug relationship: RO:0002309 CHEBI:35471 ! has exposure stimulus psychotropic drug [Term] id: ECTO:9001718 name: exposure to anti-inflammatory drug def: "An exposure to anti-inflammatory drug." [] synonym: "exposure to anti-inflammatory drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:9001982 ! exposure to anti-inflammatory agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35472 ! has exposure stimulus anti-inflammatory drug relationship: RO:0002309 CHEBI:35472 ! has exposure stimulus anti-inflammatory drug [Term] id: ECTO:9001719 name: exposure to anxiolytic drug def: "An exposure to anxiolytic drug." [] synonym: "exposure to anxiolytic drug" EXACT [] is_a: ECTO:9001717 ! exposure to psychotropic drug is_a: ECTO:9001726 ! exposure to central nervous system depressant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35474 ! has exposure stimulus anxiolytic drug relationship: RO:0002309 CHEBI:35474 ! has exposure stimulus anxiolytic drug [Term] id: ECTO:9001720 name: exposure to non-steroidal anti-inflammatory drug def: "An exposure to non-steroidal anti-inflammatory drug." [] synonym: "exposure to non-steroidal anti-inflammatory drug" EXACT [] is_a: ECTO:9001718 ! exposure to anti-inflammatory drug is_a: ECTO:9001753 ! exposure to antirheumatic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35475 ! has exposure stimulus non-steroidal anti-inflammatory drug relationship: RO:0002309 CHEBI:35475 ! has exposure stimulus non-steroidal anti-inflammatory drug [Term] id: ECTO:9001721 name: exposure to antipsychotic agent def: "An exposure to antipsychotic agent." [] synonym: "exposure to antipsychotic agent" EXACT [] is_a: ECTO:9001717 ! exposure to psychotropic drug is_a: ECTO:9001726 ! exposure to central nervous system depressant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35476 ! has exposure stimulus antipsychotic agent relationship: RO:0002309 CHEBI:35476 ! has exposure stimulus antipsychotic agent [Term] id: ECTO:9001722 name: exposure to analgesic def: "An exposure to analgesic." [] synonym: "exposure to analgesic" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35480 ! has exposure stimulus analgesic relationship: RO:0002309 CHEBI:35480 ! has exposure stimulus analgesic [Term] id: ECTO:9001723 name: exposure to non-narcotic analgesic def: "An exposure to non-narcotic analgesic." [] synonym: "exposure to non-narcotic analgesic" EXACT [] is_a: ECTO:9001722 ! exposure to analgesic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35481 ! has exposure stimulus non-narcotic analgesic relationship: RO:0002309 CHEBI:35481 ! has exposure stimulus non-narcotic analgesic [Term] id: ECTO:9001724 name: exposure to opioid analgesic def: "An exposure to opioid analgesic." [] synonym: "exposure to opioid analgesic" EXACT [] is_a: ECTO:9001722 ! exposure to analgesic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35482 ! has exposure stimulus opioid analgesic relationship: RO:0002309 CHEBI:35482 ! has exposure stimulus opioid analgesic [Term] id: ECTO:9001725 name: exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor def: "An exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor." [] synonym: "exposure to EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35487 ! has exposure stimulus EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor relationship: RO:0002309 CHEBI:35487 ! has exposure stimulus EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor [Term] id: ECTO:9001726 name: exposure to central nervous system depressant def: "An exposure to central nervous system depressant." [] synonym: "exposure to central nervous system depressant" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35488 ! has exposure stimulus central nervous system depressant relationship: RO:0002309 CHEBI:35488 ! has exposure stimulus central nervous system depressant [Term] id: ECTO:9001727 name: exposure to antipyretic def: "An exposure to antipyretic." [] synonym: "exposure to antipyretic" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35493 ! has exposure stimulus antipyretic relationship: RO:0002309 CHEBI:35493 ! has exposure stimulus antipyretic [Term] id: ECTO:9001728 name: exposure to diuretic def: "An exposure to diuretic." [] synonym: "exposure to diuretic" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35498 ! has exposure stimulus diuretic relationship: RO:0002309 CHEBI:35498 ! has exposure stimulus diuretic [Term] id: ECTO:9001729 name: exposure to hallucinogen def: "An exposure to hallucinogen." [] synonym: "exposure to hallucinogen" EXACT [] is_a: ECTO:9001717 ! exposure to psychotropic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35499 ! has exposure stimulus hallucinogen relationship: RO:0002309 CHEBI:35499 ! has exposure stimulus hallucinogen [Term] id: ECTO:9001730 name: exposure to beta-adrenergic agonist def: "An exposure to beta-adrenergic agonist." [] synonym: "exposure to beta-adrenergic agonist" EXACT [] is_a: ECTO:9001773 ! exposure to adrenergic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35522 ! has exposure stimulus relationship: RO:0002309 CHEBI:35522 ! has exposure stimulus [Term] id: ECTO:9001731 name: exposure to bronchodilator agent def: "An exposure to bronchodilator agent." [] synonym: "exposure to bronchodilator agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35523 ! has exposure stimulus bronchodilator agent relationship: RO:0002309 CHEBI:35523 ! has exposure stimulus bronchodilator agent [Term] id: ECTO:9001732 name: exposure to sympathomimetic agent def: "An exposure to sympathomimetic agent." [] synonym: "exposure to sympathomimetic agent" EXACT [] is_a: ECTO:9001773 ! exposure to adrenergic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35524 ! has exposure stimulus sympathomimetic agent relationship: RO:0002309 CHEBI:35524 ! has exposure stimulus sympathomimetic agent [Term] id: ECTO:9001733 name: exposure to hypoglycemic agent def: "An exposure to hypoglycemic agent." [] synonym: "exposure to hypoglycemic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35526 ! has exposure stimulus hypoglycemic agent relationship: RO:0002309 CHEBI:35526 ! has exposure stimulus hypoglycemic agent [Term] id: ECTO:9001734 name: exposure to beta-adrenergic antagonist def: "An exposure to beta-adrenergic antagonist." [] synonym: "exposure to beta-adrenergic antagonist" EXACT [] is_a: ECTO:9001767 ! exposure to adrenergic antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35530 ! has exposure stimulus beta-adrenergic antagonist relationship: RO:0002309 CHEBI:35530 ! has exposure stimulus beta-adrenergic antagonist [Term] id: ECTO:9001735 name: exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor def: "An exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor." [] synonym: "exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35544 ! has exposure stimulus EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor relationship: RO:0002309 CHEBI:35544 ! has exposure stimulus EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor [Term] id: ECTO:9001736 name: exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor def: "An exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor." [] synonym: "exposure to EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35608 ! has exposure stimulus EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor relationship: RO:0002309 CHEBI:35608 ! has exposure stimulus EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor [Term] id: ECTO:9001737 name: exposure to antineoplastic agent def: "An exposure to antineoplastic agent." [] synonym: "exposure to antineoplastic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35610 ! has exposure stimulus antineoplastic agent relationship: RO:0002309 CHEBI:35610 ! has exposure stimulus antineoplastic agent [Term] id: ECTO:9001738 name: exposure to flavouring agent def: "An exposure to flavouring agent." [] synonym: "exposure to flavouring agent" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35617 ! has exposure stimulus flavouring agent relationship: RO:0002309 CHEBI:35617 ! has exposure stimulus flavouring agent [Term] id: ECTO:9001740 name: exposure to anticonvulsant def: "An exposure to anticonvulsant." [] synonym: "exposure to anticonvulsant" EXACT [] is_a: ECTO:9001726 ! exposure to central nervous system depressant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35623 ! has exposure stimulus anticonvulsant relationship: RO:0002309 CHEBI:35623 ! has exposure stimulus anticonvulsant [Term] id: ECTO:9001741 name: exposure to EC 3.5.2.6 (beta-lactamase) inhibitor def: "An exposure to EC 3.5.2.6 (beta-lactamase) inhibitor." [] synonym: "exposure to EC 3.5.2.6 (beta-lactamase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35625 ! has exposure stimulus EC 3.5.2.6 (beta-lactamase) inhibitor relationship: RO:0002309 CHEBI:35625 ! has exposure stimulus EC 3.5.2.6 (beta-lactamase) inhibitor [Term] id: ECTO:9001742 name: exposure to adrenergic uptake inhibitor def: "An exposure to adrenergic uptake inhibitor." [] synonym: "exposure to adrenergic uptake inhibitor" EXACT [] is_a: ECTO:9001773 ! exposure to adrenergic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35640 ! has exposure stimulus adrenergic uptake inhibitor relationship: RO:0002309 CHEBI:35640 ! has exposure stimulus adrenergic uptake inhibitor [Term] id: ECTO:9001743 name: exposure to hydroxymethylglutaryl-CoA reductase inhibitor def: "An exposure to EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor." [] synonym: "exposure to EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35664 ! has exposure stimulus EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor relationship: RO:0002309 CHEBI:35664 ! has exposure stimulus EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor [Term] id: ECTO:9001744 name: exposure to antihypertensive agent def: "An exposure to antihypertensive agent." [] synonym: "exposure to antihypertensive agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35674 ! has exposure stimulus antihypertensive agent relationship: RO:0002309 CHEBI:35674 ! has exposure stimulus antihypertensive agent [Term] id: ECTO:9001745 name: exposure to antilipemic drug def: "An exposure to antilipemic drug." [] synonym: "exposure to antilipemic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35679 ! has exposure stimulus antilipemic drug relationship: RO:0002309 CHEBI:35679 ! has exposure stimulus antilipemic drug [Term] id: ECTO:9001746 name: exposure to xenobiotic def: "An exposure to xenobiotic." [] synonym: "exposure to xenobiotic" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35703 ! has exposure stimulus xenobiotic relationship: RO:0002309 CHEBI:35703 ! has exposure stimulus xenobiotic [Term] id: ECTO:9001747 name: exposure to immunosuppressive agent def: "An exposure to immunosuppressive agent." [] synonym: "exposure to immunosuppressive agent" EXACT [] is_a: ECTO:9001869 ! exposure to immunomodulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35705 ! has exposure stimulus immunosuppressive agent relationship: RO:0002309 CHEBI:35705 ! has exposure stimulus immunosuppressive agent [Term] id: ECTO:9001748 name: exposure to sedative def: "An exposure to sedative." [] synonym: "exposure to sedative" EXACT [] is_a: ECTO:9001726 ! exposure to central nervous system depressant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35717 ! has exposure stimulus sedative relationship: RO:0002309 CHEBI:35717 ! has exposure stimulus sedative [Term] id: ECTO:9001749 name: exposure to antifungal agent def: "An exposure to antifungal agent." [] synonym: "exposure to antifungal agent" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35718 ! has exposure stimulus antifungal agent relationship: RO:0002309 CHEBI:35718 ! has exposure stimulus antifungal agent [Term] id: ECTO:9001750 name: exposure to coccidiostat def: "An exposure to coccidiostat." [] synonym: "exposure to coccidiostat" EXACT [] is_a: ECTO:9001751 ! exposure to antiprotozoal drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35818 ! has exposure stimulus coccidiostat relationship: RO:0002309 CHEBI:35818 ! has exposure stimulus coccidiostat [Term] id: ECTO:9001751 name: exposure to antiprotozoal drug def: "An exposure to antiprotozoal drug." [] synonym: "exposure to antiprotozoal drug" EXACT [] is_a: ECTO:9001712 ! exposure to antiparasitic agent is_a: ECTO:9001755 ! exposure to antimicrobial drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35820 ! has exposure stimulus antiprotozoal drug relationship: RO:0002309 CHEBI:35820 ! has exposure stimulus antiprotozoal drug [Term] id: ECTO:9001752 name: exposure to anticholesteremic drug def: "An exposure to anticholesteremic drug." [] synonym: "exposure to anticholesteremic drug" EXACT [] is_a: ECTO:9001745 ! exposure to antilipemic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35821 ! has exposure stimulus anticholesteremic drug relationship: RO:0002309 CHEBI:35821 ! has exposure stimulus anticholesteremic drug [Term] id: ECTO:9001753 name: exposure to antirheumatic drug def: "An exposure to antirheumatic drug." [] synonym: "exposure to antirheumatic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35842 ! has exposure stimulus antirheumatic drug relationship: RO:0002309 CHEBI:35842 ! has exposure stimulus antirheumatic drug [Term] id: ECTO:9001754 name: exposure to lipoxygenase inhibitor def: "An exposure to lipoxygenase inhibitor." [] synonym: "exposure to lipoxygenase inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35856 ! has exposure stimulus lipoxygenase inhibitor relationship: RO:0002309 CHEBI:35856 ! has exposure stimulus lipoxygenase inhibitor [Term] id: ECTO:9001755 name: exposure to antimicrobial drug def: "An exposure to antimicrobial drug." [] synonym: "exposure to antimicrobial drug" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent is_a: ECTO:9001711 ! exposure to antiinfective agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36043 ! has exposure stimulus antimicrobial drug relationship: RO:0002309 CHEBI:36043 ! has exposure stimulus antimicrobial drug [Term] id: ECTO:9001756 name: exposure to antiviral drug def: "An exposure to antiviral drug." [] synonym: "exposure to antiviral drug" EXACT [] is_a: ECTO:9001648 ! exposure to antiviral agent is_a: ECTO:9001755 ! exposure to antimicrobial drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36044 ! has exposure stimulus antiviral drug relationship: RO:0002309 CHEBI:36044 ! has exposure stimulus antiviral drug [Term] id: ECTO:9001757 name: exposure to antibacterial drug def: "An exposure to antibacterial drug." [] synonym: "exposure to antibacterial drug" EXACT [] is_a: ECTO:9001694 ! exposure to antibacterial agent is_a: ECTO:9001755 ! exposure to antimicrobial drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36047 ! has exposure stimulus antibacterial drug relationship: RO:0002309 CHEBI:36047 ! has exposure stimulus antibacterial drug [Term] id: ECTO:9001758 name: exposure to oxytocic def: "An exposure to oxytocic." [] synonym: "exposure to oxytocic" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36063 ! has exposure stimulus oxytocic relationship: RO:0002309 CHEBI:36063 ! has exposure stimulus oxytocic [Term] id: ECTO:9001759 name: exposure to local anaesthetic def: "An exposure to local anaesthetic." [] synonym: "exposure to local anaesthetic" EXACT [] is_a: ECTO:9001793 ! exposure to anaesthetic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36333 ! has exposure stimulus local anaesthetic relationship: RO:0002309 CHEBI:36333 ! has exposure stimulus local anaesthetic [Term] id: ECTO:9001760 name: exposure to trypanocidal drug def: "An exposure to trypanocidal drug." [] synonym: "exposure to trypanocidal drug" EXACT [] is_a: ECTO:9001751 ! exposure to antiprotozoal drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36335 ! has exposure stimulus trypanocidal drug relationship: RO:0002309 CHEBI:36335 ! has exposure stimulus trypanocidal drug [Term] id: ECTO:9001761 name: exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor def: "An exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor." [] synonym: "exposure to EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37153 ! has exposure stimulus EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor relationship: RO:0002309 CHEBI:37153 ! has exposure stimulus EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor [Term] id: ECTO:9001762 name: exposure to MRI contrast agent def: "An exposure to MRI contrast agent." [] synonym: "exposure to MRI contrast agent" EXACT [] is_a: ECTO:9001700 ! exposure to diagnostic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37335 ! has exposure stimulus MRI contrast agent relationship: RO:0002309 CHEBI:37335 ! has exposure stimulus MRI contrast agent [Term] id: ECTO:9001763 name: exposure to protein kinase inhibitor def: "An exposure to protein kinase inhibitor." [] synonym: "exposure to protein kinase inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37699 ! has exposure stimulus protein kinase inhibitor relationship: RO:0002309 CHEBI:37699 ! has exposure stimulus protein kinase inhibitor [Term] id: ECTO:9001764 name: exposure to EC 2.7.11.13 (protein kinase C) inhibitor def: "An exposure to EC 2.7.11.13 (protein kinase C) inhibitor." [] synonym: "exposure to EC 2.7.11.13 (protein kinase C) inhibitor" EXACT [] is_a: ECTO:9001763 ! exposure to protein kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37700 ! has exposure stimulus EC 2.7.11.13 (protein kinase C) inhibitor relationship: RO:0002309 CHEBI:37700 ! has exposure stimulus EC 2.7.11.13 (protein kinase C) inhibitor [Term] id: ECTO:9001765 name: exposure to EC 3.1.1.8 (cholinesterase) inhibitor def: "An exposure to EC 3.1.1.8 (cholinesterase) inhibitor." [] synonym: "exposure to EC 3.1.1.8 (cholinesterase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37733 ! has exposure stimulus EC 3.1.1.8 (cholinesterase) inhibitor relationship: RO:0002309 CHEBI:37733 ! has exposure stimulus EC 3.1.1.8 (cholinesterase) inhibitor [Term] id: ECTO:9001766 name: exposure to plant hormone def: "An exposure to plant hormone." [] synonym: "exposure to plant hormone" EXACT [] is_a: ECTO:0000516 ! exposure to hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37848 ! has exposure stimulus plant hormone relationship: RO:0002309 CHEBI:37848 ! has exposure stimulus plant hormone [Term] id: ECTO:9001767 name: exposure to adrenergic antagonist def: "An exposure to adrenergic antagonist." [] synonym: "exposure to adrenergic antagonist" EXACT [] is_a: ECTO:9001773 ! exposure to adrenergic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37887 ! has exposure stimulus adrenergic antagonist relationship: RO:0002309 CHEBI:37887 ! has exposure stimulus adrenergic antagonist [Term] id: ECTO:9001768 name: exposure to alpha-adrenergic antagonist def: "An exposure to alpha-adrenergic antagonist." [] synonym: "exposure to alpha-adrenergic antagonist" EXACT [] is_a: ECTO:9001767 ! exposure to adrenergic antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37890 ! has exposure stimulus alpha-adrenergic antagonist relationship: RO:0002309 CHEBI:37890 ! has exposure stimulus alpha-adrenergic antagonist [Term] id: ECTO:9001769 name: exposure to phenothiazine antipsychotic drug def: "An exposure to phenothiazine antipsychotic drug." [] synonym: "exposure to phenothiazine antipsychotic drug" EXACT [] is_a: ECTO:9001972 ! exposure to first generation antipsychotic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37930 ! has exposure stimulus phenothiazine antipsychotic drug relationship: RO:0002309 CHEBI:37930 ! has exposure stimulus phenothiazine antipsychotic drug [Term] id: ECTO:9001770 name: exposure to H1-receptor antagonist def: "An exposure to H1-receptor antagonist." [] synonym: "exposure to H1-receptor antagonist" EXACT [] is_a: ECTO:9001771 ! exposure to histamine antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37955 ! has exposure stimulus H1-receptor antagonist relationship: RO:0002309 CHEBI:37955 ! has exposure stimulus H1-receptor antagonist [Term] id: ECTO:9001771 name: exposure to histamine antagonist def: "An exposure to histamine antagonist." [] synonym: "exposure to histamine antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37956 ! has exposure stimulus histamine antagonist relationship: RO:0002309 CHEBI:37956 ! has exposure stimulus histamine antagonist [Term] id: ECTO:9001772 name: obsolete exposure to dye is_obsolete: true replaced_by: ECTO:0500005 [Term] id: ECTO:9001773 name: exposure to adrenergic agent def: "An exposure to adrenergic agent." [] synonym: "exposure to adrenergic agent" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37962 ! has exposure stimulus adrenergic agent relationship: RO:0002309 CHEBI:37962 ! has exposure stimulus adrenergic agent [Term] id: ECTO:9001774 name: exposure to triazine insecticide def: "An exposure to triazine insecticide." [] synonym: "exposure to triazine insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38060 ! has exposure stimulus triazine insecticide relationship: RO:0002309 CHEBI:38060 ! has exposure stimulus triazine insecticide [Term] id: ECTO:9001775 name: exposure to antimalarial def: "An exposure to antimalarial." [] synonym: "exposure to antimalarial" EXACT [] is_a: ECTO:9001751 ! exposure to antiprotozoal drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38068 ! has exposure stimulus antimalarial relationship: RO:0002309 CHEBI:38068 ! has exposure stimulus antimalarial [Term] id: ECTO:9001776 name: exposure to anti-arrhythmia drug def: "An exposure to anti-arrhythmia drug." [] synonym: "exposure to anti-arrhythmia drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38070 ! has exposure stimulus anti-arrhythmia drug relationship: RO:0002309 CHEBI:38070 ! has exposure stimulus anti-arrhythmia drug [Term] id: ECTO:9001777 name: exposure to cardiotonic drug def: "An exposure to cardiotonic drug." [] synonym: "exposure to cardiotonic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38147 ! has exposure stimulus cardiotonic drug relationship: RO:0002309 CHEBI:38147 ! has exposure stimulus cardiotonic drug [Term] id: ECTO:9001778 name: exposure to phytosiderophore def: "An exposure to phytosiderophore." [] synonym: "exposure to phytosiderophore" EXACT [] is_a: ECTO:9001662 ! exposure to iron(3+) chelator is_a: ECTO:9001669 ! exposure to ionophore intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38155 ! has exposure stimulus phytosiderophore relationship: RO:0002309 CHEBI:38155 ! has exposure stimulus phytosiderophore [Term] id: ECTO:9001779 name: exposure to iron chelator def: "An exposure to iron chelator." [] synonym: "exposure to iron chelator" EXACT [] is_a: ECTO:9001780 ! exposure to chelator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38157 ! has exposure stimulus iron chelator relationship: RO:0002309 CHEBI:38157 ! has exposure stimulus iron chelator [Term] id: ECTO:9001780 name: exposure to chelator def: "An exposure to chelator." [] synonym: "exposure to chelator" EXACT [] is_a: ECTO:0000738 ! exposure to ligand intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38161 ! has exposure stimulus chelator relationship: RO:0002309 CHEBI:38161 ! has exposure stimulus chelator [Term] id: ECTO:9001781 name: exposure to calcium channel blocker def: "An exposure to calcium channel blocker." [] synonym: "exposure to calcium channel blocker" EXACT [] is_a: ECTO:9001791 ! exposure to calcium channel modulator is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38215 ! has exposure stimulus calcium channel blocker relationship: RO:0002309 CHEBI:38215 ! has exposure stimulus calcium channel blocker [Term] id: ECTO:9001782 name: exposure to phytotoxin def: "An exposure to phytotoxin." [] synonym: "exposure to phytotoxin" EXACT [] is_a: ECTO:0000537 ! exposure to toxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38231 ! has exposure stimulus phytotoxin relationship: RO:0002309 CHEBI:38231 ! has exposure stimulus phytotoxin [Term] id: ECTO:9001783 name: exposure to muscarinic agonist def: "An exposure to muscarinic agonist." [] synonym: "exposure to muscarinic agonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38325 ! has exposure stimulus muscarinic agonist relationship: RO:0002309 CHEBI:38325 ! has exposure stimulus muscarinic agonist [Term] id: ECTO:9001784 name: exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor def: "An exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor." [] synonym: "exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38462 ! has exposure stimulus EC 3.1.1.7 (acetylcholinesterase) inhibitor relationship: RO:0002309 CHEBI:38462 ! has exposure stimulus EC 3.1.1.7 (acetylcholinesterase) inhibitor [Term] id: ECTO:9001785 name: exposure to mitochondrial NADH:ubiquinone reductase inhibitor def: "An exposure to mitochondrial NADH:ubiquinone reductase inhibitor." [] synonym: "exposure to mitochondrial NADH:ubiquinone reductase inhibitor" EXACT [] is_a: ECTO:0000522 ! exposure to mitochondrial respiratory-chain inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38498 ! has exposure stimulus mitochondrial NADH:ubiquinone reductase inhibitor relationship: RO:0002309 CHEBI:38498 ! has exposure stimulus mitochondrial NADH:ubiquinone reductase inhibitor [Term] id: ECTO:9001787 name: exposure to sodium channel blocker def: "An exposure to sodium channel blocker." [] synonym: "exposure to sodium channel blocker" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38633 ! has exposure stimulus sodium channel blocker relationship: RO:0002309 CHEBI:38633 ! has exposure stimulus sodium channel blocker [Term] id: ECTO:9001788 name: exposure to tyrosine kinase inhibitor def: "An exposure to tyrosine kinase inhibitor." [] synonym: "exposure to tyrosine kinase inhibitor" EXACT [] is_a: ECTO:9001763 ! exposure to protein kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38637 ! has exposure stimulus tyrosine kinase inhibitor relationship: RO:0002309 CHEBI:38637 ! has exposure stimulus tyrosine kinase inhibitor [Term] id: ECTO:9001789 name: exposure to pediculicide def: "An exposure to pediculicide." [] synonym: "exposure to pediculicide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38706 ! has exposure stimulus pediculicide relationship: RO:0002309 CHEBI:38706 ! has exposure stimulus pediculicide [Term] id: ECTO:9001790 name: exposure to calcium channel agonist def: "An exposure to calcium channel agonist." [] synonym: "exposure to calcium channel agonist" EXACT [] is_a: ECTO:9001791 ! exposure to calcium channel modulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38807 ! has exposure stimulus calcium channel agonist relationship: RO:0002309 CHEBI:38807 ! has exposure stimulus calcium channel agonist [Term] id: ECTO:9001791 name: exposure to calcium channel modulator def: "An exposure to calcium channel modulator." [] synonym: "exposure to calcium channel modulator" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38808 ! has exposure stimulus calcium channel modulator relationship: RO:0002309 CHEBI:38808 ! has exposure stimulus calcium channel modulator [Term] id: ECTO:9001792 name: exposure to ryanodine receptor modulator def: "An exposure to ryanodine receptor modulator." [] synonym: "exposure to ryanodine receptor modulator" EXACT [] is_a: ECTO:9001791 ! exposure to calcium channel modulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38809 ! has exposure stimulus ryanodine receptor modulator relationship: RO:0002309 CHEBI:38809 ! has exposure stimulus ryanodine receptor modulator [Term] id: ECTO:9001793 name: exposure to anaesthetic def: "An exposure to anaesthetic." [] synonym: "exposure to anaesthetic" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38867 ! has exposure stimulus anaesthetic relationship: RO:0002309 CHEBI:38867 ! has exposure stimulus anaesthetic [Term] id: ECTO:9001794 name: exposure to general anaesthetic def: "An exposure to general anaesthetic." [] synonym: "exposure to general anaesthetic" EXACT [] is_a: ECTO:9001793 ! exposure to anaesthetic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38869 ! has exposure stimulus general anaesthetic relationship: RO:0002309 CHEBI:38869 ! has exposure stimulus general anaesthetic [Term] id: ECTO:9001795 name: exposure to inhalation anaesthetic def: "An exposure to inhalation anaesthetic." [] synonym: "exposure to inhalation anaesthetic" EXACT [] is_a: ECTO:9001794 ! exposure to general anaesthetic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38870 ! has exposure stimulus inhalation anaesthetic relationship: RO:0002309 CHEBI:38870 ! has exposure stimulus inhalation anaesthetic [Term] id: ECTO:9001796 name: exposure to intravenous anaesthetic def: "An exposure to intravenous anaesthetic." [] synonym: "exposure to intravenous anaesthetic" EXACT [] is_a: ECTO:9001794 ! exposure to general anaesthetic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38877 ! has exposure stimulus intravenous anaesthetic relationship: RO:0002309 CHEBI:38877 ! has exposure stimulus intravenous anaesthetic [Term] id: ECTO:9001797 name: exposure to schistosomicide drug def: "An exposure to schistosomicide drug." [] synonym: "exposure to schistosomicide drug" EXACT [] is_a: ECTO:9001713 ! exposure to anthelminthic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38941 ! has exposure stimulus schistosomicide drug relationship: RO:0002309 CHEBI:38941 ! has exposure stimulus schistosomicide drug [Term] id: ECTO:9001798 name: exposure to GABA-gated chloride channel antagonist def: "An exposure to GABA-gated chloride channel antagonist." [] synonym: "exposure to GABA-gated chloride channel antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38999 ! has exposure stimulus GABA-gated chloride channel antagonist relationship: RO:0002309 CHEBI:38999 ! has exposure stimulus GABA-gated chloride channel antagonist [Term] id: ECTO:9001800 name: exposure to bridged diphenyl acaricide def: "An exposure to bridged diphenyl acaricide." [] synonym: "exposure to bridged diphenyl acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39412 ! has exposure stimulus bridged diphenyl acaricide relationship: RO:0002309 CHEBI:39412 ! has exposure stimulus bridged diphenyl acaricide [Term] id: ECTO:9001802 name: exposure to photosensitizing agent def: "An exposure to photosensitizing agent." [] synonym: "exposure to photosensitizing agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47868 ! has exposure stimulus photosensitizing agent relationship: RO:0002309 CHEBI:47868 ! has exposure stimulus photosensitizing agent [Term] id: ECTO:9001803 name: exposure to nicotinic acetylcholine receptor agonist def: "An exposure to nicotinic acetylcholine receptor agonist." [] synonym: "exposure to nicotinic acetylcholine receptor agonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:47958 ! has exposure stimulus nicotinic acetylcholine receptor agonist relationship: RO:0002309 CHEBI:47958 ! has exposure stimulus nicotinic acetylcholine receptor agonist [Term] id: ECTO:9001804 name: exposure to protein synthesis inhibitor def: "An exposure to protein synthesis inhibitor." [] synonym: "exposure to protein synthesis inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48001 ! has exposure stimulus protein synthesis inhibitor relationship: RO:0002309 CHEBI:48001 ! has exposure stimulus protein synthesis inhibitor [Term] id: ECTO:9001805 name: exposure to antiseptic drug def: "An exposure to antiseptic drug." [] synonym: "exposure to antiseptic drug" EXACT [] is_a: ECTO:9001711 ! exposure to antiinfective agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48218 ! has exposure stimulus antiseptic drug relationship: RO:0002309 CHEBI:48218 ! has exposure stimulus antiseptic drug [Term] id: ECTO:9001807 name: exposure to serotonergic antagonist def: "An exposure to serotonergic antagonist." [] synonym: "exposure to serotonergic antagonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48279 ! has exposure stimulus serotonergic antagonist relationship: RO:0002309 CHEBI:48279 ! has exposure stimulus serotonergic antagonist [Term] id: ECTO:9001808 name: exposure to fragrance def: "An exposure to fragrance." [] synonym: "exposure to fragrance" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48318 ! has exposure stimulus fragrance relationship: RO:0002309 CHEBI:48318 ! has exposure stimulus fragrance [Term] id: ECTO:9001809 name: exposure to polar solvent def: "An exposure to polar solvent." [] synonym: "exposure to polar solvent" EXACT [] is_a: ECTO:9000107 ! exposure to solvent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48354 ! has exposure stimulus polar solvent relationship: RO:0002309 CHEBI:48354 ! has exposure stimulus polar solvent [Term] id: ECTO:9001810 name: exposure to non-polar solvent def: "An exposure to non-polar solvent." [] synonym: "exposure to non-polar solvent" EXACT [] is_a: ECTO:9000107 ! exposure to solvent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48355 ! has exposure stimulus non-polar solvent relationship: RO:0002309 CHEBI:48355 ! has exposure stimulus non-polar solvent [Term] id: ECTO:9001811 name: exposure to protic solvent def: "An exposure to protic solvent." [] synonym: "exposure to protic solvent" EXACT [] is_a: ECTO:0000650 ! exposure to Bronsted acid is_a: ECTO:9001809 ! exposure to polar solvent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48356 ! has exposure stimulus protic solvent relationship: RO:0002309 CHEBI:48356 ! has exposure stimulus protic solvent [Term] id: ECTO:9001812 name: exposure to polar aprotic solvent def: "An exposure to polar aprotic solvent." [] synonym: "exposure to polar aprotic solvent" EXACT [] is_a: ECTO:9001809 ! exposure to polar solvent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48358 ! has exposure stimulus polar aprotic solvent relationship: RO:0002309 CHEBI:48358 ! has exposure stimulus polar aprotic solvent [Term] id: ECTO:9001813 name: exposure to amphiprotic solvent def: "An exposure to amphiprotic solvent." [] synonym: "exposure to amphiprotic solvent" EXACT [] is_a: ECTO:9001811 ! exposure to protic solvent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48360 ! has exposure stimulus amphiprotic solvent relationship: RO:0002309 CHEBI:48360 ! has exposure stimulus amphiprotic solvent [Term] id: ECTO:9001814 name: exposure to antiparkinson drug def: "An exposure to antiparkinson drug." [] synonym: "exposure to antiparkinson drug" EXACT [] is_a: ECTO:9001977 ! exposure to antidyskinesia agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48407 ! has exposure stimulus antiparkinson drug relationship: RO:0002309 CHEBI:48407 ! has exposure stimulus antiparkinson drug [Term] id: ECTO:9001815 name: exposure to angiogenesis inhibitor def: "An exposure to angiogenesis inhibitor." [] synonym: "exposure to angiogenesis inhibitor" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48422 ! has exposure stimulus angiogenesis inhibitor relationship: RO:0002309 CHEBI:48422 ! has exposure stimulus angiogenesis inhibitor [Term] id: ECTO:9001816 name: exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor def: "An exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor." [] synonym: "exposure to EC 1.1.1.21 (aldehyde reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48550 ! has exposure stimulus EC 1.1.1.21 (aldehyde reductase) inhibitor relationship: RO:0002309 CHEBI:48550 ! has exposure stimulus EC 1.1.1.21 (aldehyde reductase) inhibitor [Term] id: ECTO:9001817 name: exposure to dopaminergic agent def: "An exposure to dopaminergic agent." [] synonym: "exposure to dopaminergic agent" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48560 ! has exposure stimulus dopaminergic agent relationship: RO:0002309 CHEBI:48560 ! has exposure stimulus dopaminergic agent [Term] id: ECTO:9001818 name: exposure to dopaminergic antagonist def: "An exposure to dopaminergic antagonist." [] synonym: "exposure to dopaminergic antagonist" EXACT [] is_a: ECTO:9001817 ! exposure to dopaminergic agent is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48561 ! has exposure stimulus dopaminergic antagonist relationship: RO:0002309 CHEBI:48561 ! has exposure stimulus dopaminergic antagonist [Term] id: ECTO:9001819 name: exposure to radical scavenger def: "An exposure to radical scavenger." [] synonym: "exposure to radical scavenger" EXACT [] is_a: ECTO:9001647 ! exposure to antioxidant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48578 ! has exposure stimulus radical scavenger relationship: RO:0002309 CHEBI:48578 ! has exposure stimulus radical scavenger [Term] id: ECTO:9001820 name: exposure to fibrin modulating drug def: "An exposure to fibrin modulating drug." [] synonym: "exposure to fibrin modulating drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48676 ! has exposure stimulus fibrin modulating drug relationship: RO:0002309 CHEBI:48676 ! has exposure stimulus fibrin modulating drug [Term] id: ECTO:9001822 name: exposure to antagonist def: "An exposure to antagonist." [] synonym: "exposure to antagonist" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48706 ! has exposure stimulus antagonist relationship: RO:0002309 CHEBI:48706 ! has exposure stimulus antagonist [Term] id: ECTO:9001823 name: exposure to cholinergic antagonist def: "An exposure to cholinergic antagonist." [] synonym: "exposure to cholinergic antagonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48873 ! has exposure stimulus cholinergic antagonist relationship: RO:0002309 CHEBI:48873 ! has exposure stimulus cholinergic antagonist [Term] id: ECTO:9001824 name: exposure to muscarinic antagonist def: "An exposure to muscarinic antagonist." [] synonym: "exposure to muscarinic antagonist" EXACT [] is_a: ECTO:9001823 ! exposure to cholinergic antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48876 ! has exposure stimulus muscarinic antagonist relationship: RO:0002309 CHEBI:48876 ! has exposure stimulus muscarinic antagonist [Term] id: ECTO:9001825 name: exposure to nicotinic antagonist def: "An exposure to nicotinic antagonist." [] synonym: "exposure to nicotinic antagonist" EXACT [] is_a: ECTO:9001823 ! exposure to cholinergic antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:48878 ! has exposure stimulus nicotinic antagonist relationship: RO:0002309 CHEBI:48878 ! has exposure stimulus nicotinic antagonist [Term] id: ECTO:9001826 name: exposure to prostaglandin antagonist def: "An exposure to prostaglandin antagonist." [] synonym: "exposure to prostaglandin antagonist" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49023 ! has exposure stimulus prostaglandin antagonist relationship: RO:0002309 CHEBI:49023 ! has exposure stimulus prostaglandin antagonist [Term] id: ECTO:9001827 name: exposure to drug metabolite def: "An exposure to drug metabolite." [] synonym: "exposure to drug metabolite" EXACT [] is_a: ECTO:9002027 ! exposure to xenobiotic metabolite intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49103 ! has exposure stimulus drug metabolite relationship: RO:0002309 CHEBI:49103 ! has exposure stimulus drug metabolite [Term] id: ECTO:9001828 name: exposure to peripheral nervous system drug def: "An exposure to peripheral nervous system drug." [] synonym: "exposure to peripheral nervous system drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49110 ! has exposure stimulus peripheral nervous system drug relationship: RO:0002309 CHEBI:49110 ! has exposure stimulus peripheral nervous system drug [Term] id: ECTO:9001829 name: exposure to anti-asthmatic drug def: "An exposure to anti-asthmatic drug." [] synonym: "exposure to anti-asthmatic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49167 ! has exposure stimulus anti-asthmatic drug relationship: RO:0002309 CHEBI:49167 ! has exposure stimulus anti-asthmatic drug [Term] id: ECTO:9001830 name: exposure to anti-ulcer drug def: "An exposure to anti-ulcer drug." [] synonym: "exposure to anti-ulcer drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49201 ! has exposure stimulus anti-ulcer drug relationship: RO:0002309 CHEBI:49201 ! has exposure stimulus anti-ulcer drug [Term] id: ECTO:9001831 name: exposure to contraceptive drug def: "An exposure to contraceptive drug." [] synonym: "exposure to contraceptive drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49323 ! has exposure stimulus contraceptive drug relationship: RO:0002309 CHEBI:49323 ! has exposure stimulus contraceptive drug [Term] id: ECTO:9001832 name: exposure to excitatory amino acid agonist def: "An exposure to excitatory amino acid agonist." [] synonym: "exposure to excitatory amino acid agonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50103 ! has exposure stimulus excitatory amino acid agonist relationship: RO:0002309 CHEBI:50103 ! has exposure stimulus excitatory amino acid agonist [Term] id: ECTO:9001833 name: exposure to androgen def: "An exposure to androgen." [] synonym: "exposure to androgen" EXACT [] is_a: ECTO:9002127 ! exposure to sex hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50113 ! has exposure stimulus androgen relationship: RO:0002309 CHEBI:50113 ! has exposure stimulus androgen [Term] id: ECTO:9001834 name: obsolete estrogen exposure is_obsolete: true replaced_by: ECTO:9000010 [Term] id: ECTO:9001835 name: exposure to bronchoconstrictor agent def: "An exposure to bronchoconstrictor agent." [] synonym: "exposure to bronchoconstrictor agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50141 ! has exposure stimulus bronchoconstrictor agent relationship: RO:0002309 CHEBI:50141 ! has exposure stimulus bronchoconstrictor agent [Term] id: ECTO:9001836 name: exposure to keratolytic drug def: "An exposure to keratolytic drug." [] synonym: "exposure to keratolytic drug" EXACT [] is_a: ECTO:9001837 ! exposure to dermatologic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50176 ! has exposure stimulus keratolytic drug relationship: RO:0002309 CHEBI:50176 ! has exposure stimulus keratolytic drug [Term] id: ECTO:9001837 name: exposure to dermatologic drug def: "An exposure to dermatologic drug." [] synonym: "exposure to dermatologic drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50177 ! has exposure stimulus dermatologic drug relationship: RO:0002309 CHEBI:50177 ! has exposure stimulus dermatologic drug [Term] id: ECTO:9001839 name: exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor def: "An exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor." [] synonym: "exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50218 ! has exposure stimulus EC 3.1.4.* (phosphoric diester hydrolase) inhibitor relationship: RO:0002309 CHEBI:50218 ! has exposure stimulus EC 3.1.4.* (phosphoric diester hydrolase) inhibitor [Term] id: ECTO:9001840 name: exposure to antidote def: "An exposure to antidote." [] synonym: "exposure to antidote" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50247 ! has exposure stimulus antidote relationship: RO:0002309 CHEBI:50247 ! has exposure stimulus antidote [Term] id: ECTO:9001841 name: exposure to hematologic agent def: "An exposure to hematologic agent." [] synonym: "exposure to hematologic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50248 ! has exposure stimulus hematologic agent relationship: RO:0002309 CHEBI:50248 ! has exposure stimulus hematologic agent [Term] id: ECTO:9001842 name: exposure to anticoagulant def: "An exposure to anticoagulant." [] synonym: "exposure to anticoagulant" EXACT [] is_a: ECTO:9001841 ! exposure to hematologic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50249 ! has exposure stimulus anticoagulant relationship: RO:0002309 CHEBI:50249 ! has exposure stimulus anticoagulant [Term] id: ECTO:9001843 name: exposure to prodrug def: "An exposure to prodrug." [] synonym: "exposure to prodrug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50266 ! has exposure stimulus prodrug relationship: RO:0002309 CHEBI:50266 ! has exposure stimulus prodrug [Term] id: ECTO:9001844 name: exposure to GABA modulator def: "An exposure to GABA modulator." [] synonym: "exposure to GABA modulator" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50268 ! has exposure stimulus GABA modulator relationship: RO:0002309 CHEBI:50268 ! has exposure stimulus GABA modulator [Term] id: ECTO:9001845 name: exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor def: "An exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor." [] synonym: "exposure to EC 5.99.1.2 (DNA topoisomerase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50276 ! has exposure stimulus EC 5.99.1.2 (DNA topoisomerase) inhibitor relationship: RO:0002309 CHEBI:50276 ! has exposure stimulus EC 5.99.1.2 (DNA topoisomerase) inhibitor [Term] id: ECTO:9001846 name: exposure to parasympatholytic def: "An exposure to parasympatholytic." [] synonym: "exposure to parasympatholytic" EXACT [] is_a: ECTO:9001823 ! exposure to cholinergic antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50370 ! has exposure stimulus parasympatholytic relationship: RO:0002309 CHEBI:50370 ! has exposure stimulus parasympatholytic [Term] id: ECTO:9001847 name: exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor def: "An exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor." [] synonym: "exposure to EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50390 ! has exposure stimulus EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor relationship: RO:0002309 CHEBI:50390 ! has exposure stimulus EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor [Term] id: ECTO:9001849 name: exposure to platelet aggregation inhibitor def: "An exposure to platelet aggregation inhibitor." [] synonym: "exposure to platelet aggregation inhibitor" EXACT [] is_a: ECTO:9001841 ! exposure to hematologic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50427 ! has exposure stimulus platelet aggregation inhibitor relationship: RO:0002309 CHEBI:50427 ! has exposure stimulus platelet aggregation inhibitor [Term] id: ECTO:9001850 name: exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor def: "An exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor." [] synonym: "exposure to EC 2.5.1.15 (dihydropteroate synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50502 ! has exposure stimulus EC 2.5.1.15 (dihydropteroate synthase) inhibitor relationship: RO:0002309 CHEBI:50502 ! has exposure stimulus EC 2.5.1.15 (dihydropteroate synthase) inhibitor [Term] id: ECTO:9001851 name: exposure to laxative def: "An exposure to laxative." [] synonym: "exposure to laxative" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50503 ! has exposure stimulus laxative relationship: RO:0002309 CHEBI:50503 ! has exposure stimulus laxative [Term] id: ECTO:9001852 name: exposure to sweetening agent def: "An exposure to sweetening agent." [] synonym: "exposure to sweetening agent" EXACT [] is_a: ECTO:9001738 ! exposure to flavouring agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50505 ! has exposure stimulus sweetening agent relationship: RO:0002309 CHEBI:50505 ! has exposure stimulus sweetening agent [Term] id: ECTO:9001853 name: exposure to potassium channel blocker def: "An exposure to potassium channel blocker." [] synonym: "exposure to potassium channel blocker" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50509 ! has exposure stimulus potassium channel blocker relationship: RO:0002309 CHEBI:50509 ! has exposure stimulus potassium channel blocker [Term] id: ECTO:9001854 name: exposure to mydriatic agent def: "An exposure to mydriatic agent." [] synonym: "exposure to mydriatic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50513 ! has exposure stimulus mydriatic agent relationship: RO:0002309 CHEBI:50513 ! has exposure stimulus mydriatic agent [Term] id: ECTO:9001855 name: exposure to vasoconstrictor agent def: "An exposure to vasoconstrictor agent." [] synonym: "exposure to vasoconstrictor agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50514 ! has exposure stimulus vasoconstrictor agent relationship: RO:0002309 CHEBI:50514 ! has exposure stimulus vasoconstrictor agent [Term] id: ECTO:9001856 name: exposure to protein denaturant def: "An exposure to protein denaturant." [] synonym: "exposure to protein denaturant" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50533 ! has exposure stimulus protein denaturant relationship: RO:0002309 CHEBI:50533 ! has exposure stimulus protein denaturant [Term] id: ECTO:9001857 name: exposure to nitric oxide donor def: "An exposure to nitric oxide donor." [] synonym: "exposure to nitric oxide donor" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50566 ! has exposure stimulus nitric oxide donor relationship: RO:0002309 CHEBI:50566 ! has exposure stimulus nitric oxide donor [Term] id: ECTO:9001858 name: exposure to cyclooxygenase 2 inhibitor def: "An exposure to cyclooxygenase 2 inhibitor." [] synonym: "exposure to cyclooxygenase 2 inhibitor" EXACT [] is_a: ECTO:9001735 ! exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50629 ! has exposure stimulus cyclooxygenase 2 inhibitor relationship: RO:0002309 CHEBI:50629 ! has exposure stimulus cyclooxygenase 2 inhibitor [Term] id: ECTO:9001859 name: exposure to cyclooxygenase 1 inhibitor def: "An exposure to cyclooxygenase 1 inhibitor." [] synonym: "exposure to cyclooxygenase 1 inhibitor" EXACT [] is_a: ECTO:9001735 ! exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50630 ! has exposure stimulus cyclooxygenase 1 inhibitor relationship: RO:0002309 CHEBI:50630 ! has exposure stimulus cyclooxygenase 1 inhibitor [Term] id: ECTO:9001860 name: exposure to bone density conservation agent def: "An exposure to bone density conservation agent." [] synonym: "exposure to bone density conservation agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50646 ! has exposure stimulus bone density conservation agent relationship: RO:0002309 CHEBI:50646 ! has exposure stimulus bone density conservation agent [Term] id: ECTO:9001861 name: exposure to antithyroid drug def: "An exposure to antithyroid drug." [] synonym: "exposure to antithyroid drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50671 ! has exposure stimulus antithyroid drug relationship: RO:0002309 CHEBI:50671 ! has exposure stimulus antithyroid drug [Term] id: ECTO:9001862 name: exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor def: "An exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor." [] synonym: "exposure to EC 1.5.1.3 (dihydrofolate reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor is_a: ECTO:9001705 ! exposure to antimetabolite intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50683 ! has exposure stimulus EC 1.5.1.3 (dihydrofolate reductase) inhibitor relationship: RO:0002309 CHEBI:50683 ! has exposure stimulus EC 1.5.1.3 (dihydrofolate reductase) inhibitor [Term] id: ECTO:9001863 name: exposure to cross-linking reagent def: "An exposure to cross-linking reagent." [] synonym: "exposure to cross-linking reagent" EXACT [] is_a: ECTO:9001701 ! exposure to reagent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50684 ! has exposure stimulus cross-linking reagent relationship: RO:0002309 CHEBI:50684 ! has exposure stimulus cross-linking reagent [Term] id: ECTO:9001864 name: exposure to abortifacient def: "An exposure to abortifacient." [] synonym: "exposure to abortifacient" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50691 ! has exposure stimulus abortifacient relationship: RO:0002309 CHEBI:50691 ! has exposure stimulus abortifacient [Term] id: ECTO:9001865 name: exposure to nutraceutical def: "An exposure to nutraceutical." [] synonym: "exposure to nutraceutical" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50733 ! has exposure stimulus nutraceutical relationship: RO:0002309 CHEBI:50733 ! has exposure stimulus nutraceutical [Term] id: ECTO:9001866 name: exposure to antipsoriatic def: "An exposure to antipsoriatic." [] synonym: "exposure to antipsoriatic" EXACT [] is_a: ECTO:9001837 ! exposure to dermatologic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50748 ! has exposure stimulus antipsoriatic relationship: RO:0002309 CHEBI:50748 ! has exposure stimulus antipsoriatic [Term] id: ECTO:9001867 name: exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor def: "An exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor." [] synonym: "exposure to EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50750 ! has exposure stimulus EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: RO:0002309 CHEBI:50750 ! has exposure stimulus EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor [Term] id: ECTO:9001868 name: exposure to appetite enhancer def: "An exposure to appetite enhancer." [] synonym: "exposure to appetite enhancer" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50779 ! has exposure stimulus appetite enhancer relationship: RO:0002309 CHEBI:50779 ! has exposure stimulus appetite enhancer [Term] id: ECTO:9001869 name: exposure to immunomodulator def: "An exposure to immunomodulator." [] synonym: "exposure to immunomodulator" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50846 ! has exposure stimulus immunomodulator relationship: RO:0002309 CHEBI:50846 ! has exposure stimulus immunomodulator [Term] id: ECTO:9001870 name: exposure to immunological adjuvant def: "An exposure to immunological adjuvant." [] synonym: "exposure to immunological adjuvant" EXACT [] is_a: ECTO:9001869 ! exposure to immunomodulator is_a: ECTO:9001914 ! exposure to adjuvant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50847 ! has exposure stimulus immunological adjuvant relationship: RO:0002309 CHEBI:50847 ! has exposure stimulus immunological adjuvant [Term] id: ECTO:9001871 name: exposure to antiatherogenic agent def: "An exposure to antiatherogenic agent." [] synonym: "exposure to antiatherogenic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50855 ! has exposure stimulus antiatherogenic agent relationship: RO:0002309 CHEBI:50855 ! has exposure stimulus antiatherogenic agent [Term] id: ECTO:9001872 name: exposure to anti-allergic agent def: "An exposure to anti-allergic agent." [] synonym: "exposure to anti-allergic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50857 ! has exposure stimulus anti-allergic agent relationship: RO:0002309 CHEBI:50857 ! has exposure stimulus anti-allergic agent [Term] id: ECTO:9001876 name: exposure to teratogenic agent def: "An exposure to teratogenic agent." [] synonym: "exposure to teratogenic agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50905 ! has exposure stimulus teratogenic agent relationship: RO:0002309 CHEBI:50905 ! has exposure stimulus teratogenic agent [Term] id: ECTO:9001877 name: exposure to hepatotoxic agent def: "An exposure to hepatotoxic agent." [] synonym: "exposure to hepatotoxic agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50908 ! has exposure stimulus hepatotoxic agent relationship: RO:0002309 CHEBI:50908 ! has exposure stimulus hepatotoxic agent [Term] id: ECTO:9001878 name: exposure to nephrotoxic agent def: "An exposure to nephrotoxic agent." [] synonym: "exposure to nephrotoxic agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50909 ! has exposure stimulus nephrotoxic agent relationship: RO:0002309 CHEBI:50909 ! has exposure stimulus nephrotoxic agent [Term] id: ECTO:9001880 name: exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor def: "An exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor." [] synonym: "exposure to EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50914 ! has exposure stimulus EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor relationship: RO:0002309 CHEBI:50914 ! has exposure stimulus EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor [Term] id: ECTO:9001881 name: exposure to antiemetic def: "An exposure to antiemetic." [] synonym: "exposure to antiemetic" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50919 ! has exposure stimulus antiemetic relationship: RO:0002309 CHEBI:50919 ! has exposure stimulus antiemetic [Term] id: ECTO:9001882 name: exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor def: "An exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor." [] synonym: "exposure to EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor" EXACT [] is_a: ECTO:9001763 ! exposure to protein kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50925 ! has exposure stimulus EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor relationship: RO:0002309 CHEBI:50925 ! has exposure stimulus EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor [Term] id: ECTO:9001883 name: exposure to serotonin uptake inhibitor def: "An exposure to serotonin uptake inhibitor." [] synonym: "exposure to serotonin uptake inhibitor" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50949 ! has exposure stimulus serotonin uptake inhibitor relationship: RO:0002309 CHEBI:50949 ! has exposure stimulus serotonin uptake inhibitor [Term] id: ECTO:9001884 name: exposure to dopamine uptake inhibitor def: "An exposure to dopamine uptake inhibitor." [] synonym: "exposure to dopamine uptake inhibitor" EXACT [] is_a: ECTO:9001817 ! exposure to dopaminergic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51039 ! has exposure stimulus dopamine uptake inhibitor relationship: RO:0002309 CHEBI:51039 ! has exposure stimulus dopamine uptake inhibitor [Term] id: ECTO:9001885 name: exposure to antitussive def: "An exposure to antitussive." [] synonym: "exposure to antitussive" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51177 ! has exposure stimulus antitussive relationship: RO:0002309 CHEBI:51177 ! has exposure stimulus antitussive [Term] id: ECTO:9001886 name: exposure to muscle relaxant def: "An exposure to muscle relaxant." [] synonym: "exposure to muscle relaxant" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51371 ! has exposure stimulus muscle relaxant relationship: RO:0002309 CHEBI:51371 ! has exposure stimulus muscle relaxant [Term] id: ECTO:9001888 name: exposure to mitogen def: "An exposure to mitogen." [] synonym: "exposure to mitogen" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52290 ! has exposure stimulus mitogen relationship: RO:0002309 CHEBI:52290 ! has exposure stimulus mitogen [Term] id: ECTO:9001889 name: exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor def: "An exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor." [] synonym: "exposure to EC 3.2.1.18 (exo-alpha-sialidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor is_a: ECTO:9001756 ! exposure to antiviral drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52425 ! has exposure stimulus EC 3.2.1.18 (exo-alpha-sialidase) inhibitor relationship: RO:0002309 CHEBI:52425 ! has exposure stimulus EC 3.2.1.18 (exo-alpha-sialidase) inhibitor [Term] id: ECTO:9001890 name: exposure to proteasome inhibitor def: "An exposure to proteasome inhibitor." [] synonym: "exposure to proteasome inhibitor" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:52726 ! has exposure stimulus proteasome inhibitor relationship: RO:0002309 CHEBI:52726 ! has exposure stimulus proteasome inhibitor [Term] id: ECTO:9001891 name: exposure to epitope def: "An exposure to epitope." [] synonym: "exposure to epitope" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53000 ! has exposure stimulus epitope relationship: RO:0002309 CHEBI:53000 ! has exposure stimulus epitope [Term] id: ECTO:9001892 name: exposure to adenosine A2A receptor antagonist def: "An exposure to adenosine A2A receptor antagonist." [] synonym: "exposure to adenosine A2A receptor antagonist" EXACT [] is_a: ECTO:9002006 ! exposure to adenosine receptor antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53121 ! has exposure stimulus adenosine A2A receptor antagonist relationship: RO:0002309 CHEBI:53121 ! has exposure stimulus adenosine A2A receptor antagonist [Term] id: ECTO:9001893 name: exposure to GHB receptor agonist def: "An exposure to GHB receptor agonist." [] synonym: "exposure to GHB receptor agonist" EXACT [] is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53353 ! has exposure stimulus GHB receptor agonist relationship: RO:0002309 CHEBI:53353 ! has exposure stimulus GHB receptor agonist [Term] id: ECTO:9001894 name: exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor def: "An exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor." [] synonym: "exposure to EC 1.1.1.205 (IMP dehydrogenase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53746 ! has exposure stimulus EC 1.1.1.205 (IMP dehydrogenase) inhibitor relationship: RO:0002309 CHEBI:53746 ! has exposure stimulus EC 1.1.1.205 (IMP dehydrogenase) inhibitor [Term] id: ECTO:9001895 name: exposure to antispasmodic drug def: "An exposure to antispasmodic drug." [] synonym: "exposure to antispasmodic drug" EXACT [] is_a: ECTO:9001886 ! exposure to muscle relaxant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53784 ! has exposure stimulus antispasmodic drug relationship: RO:0002309 CHEBI:53784 ! has exposure stimulus antispasmodic drug [Term] id: ECTO:9001896 name: exposure to mu-opioid receptor agonist def: "An exposure to mu-opioid receptor agonist." [] synonym: "exposure to mu-opioid receptor agonist" EXACT [] is_a: ECTO:9001911 ! exposure to opioid receptor agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:55322 ! has exposure stimulus mu-opioid receptor agonist relationship: RO:0002309 CHEBI:55322 ! has exposure stimulus mu-opioid receptor agonist [Term] id: ECTO:9001897 name: exposure to antidiarrhoeal drug def: "An exposure to antidiarrhoeal drug." [] synonym: "exposure to antidiarrhoeal drug" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:55323 ! has exposure stimulus antidiarrhoeal drug relationship: RO:0002309 CHEBI:55323 ! has exposure stimulus antidiarrhoeal drug [Term] id: ECTO:9001898 name: exposure to antigen def: "An exposure to antigen." [] synonym: "exposure to antigen" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59132 ! has exposure stimulus antigen relationship: RO:0002309 CHEBI:59132 ! has exposure stimulus antigen [Term] id: ECTO:9001900 name: exposure to hapten def: "An exposure to hapten." [] synonym: "exposure to hapten" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59174 ! has exposure stimulus hapten relationship: RO:0002309 CHEBI:59174 ! has exposure stimulus hapten [Term] id: ECTO:9001901 name: exposure to DNA synthesis inhibitor def: "An exposure to DNA synthesis inhibitor." [] synonym: "exposure to DNA synthesis inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59517 ! has exposure stimulus DNA synthesis inhibitor relationship: RO:0002309 CHEBI:59517 ! has exposure stimulus DNA synthesis inhibitor [Term] id: ECTO:9001902 name: exposure to phosphoantigen def: "An exposure to phosphoantigen." [] synonym: "exposure to phosphoantigen" EXACT [] is_a: ECTO:9001898 ! exposure to antigen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59544 ! has exposure stimulus phosphoantigen relationship: RO:0002309 CHEBI:59544 ! has exposure stimulus phosphoantigen [Term] id: ECTO:9001903 name: exposure to antipruritic drug def: "An exposure to antipruritic drug." [] synonym: "exposure to antipruritic drug" EXACT [] is_a: ECTO:9001837 ! exposure to dermatologic drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59683 ! has exposure stimulus antipruritic drug relationship: RO:0002309 CHEBI:59683 ! has exposure stimulus antipruritic drug [Term] id: ECTO:9001904 name: exposure to electrophilic reagent def: "An exposure to electrophilic reagent." [] synonym: "exposure to electrophilic reagent" EXACT [] is_a: ECTO:9001701 ! exposure to reagent is_a: ECTO:9002146 ! exposure to acids intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59739 ! has exposure stimulus electrophilic reagent relationship: RO:0002309 CHEBI:59739 ! has exposure stimulus electrophilic reagent [Term] id: ECTO:9001905 name: exposure to nucleophilic reagent def: "An exposure to nucleophilic reagent." [] synonym: "exposure to nucleophilic reagent" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role is_a: ECTO:9001701 ! exposure to reagent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59740 ! has exposure stimulus nucleophilic reagent relationship: RO:0002309 CHEBI:59740 ! has exposure stimulus nucleophilic reagent [Term] id: ECTO:9001906 name: exposure to progestin def: "An exposure to progestin." [] synonym: "exposure to progestin" EXACT [] is_a: ECTO:9002127 ! exposure to sex hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59826 ! has exposure stimulus progestin relationship: RO:0002309 CHEBI:59826 ! has exposure stimulus progestin [Term] id: ECTO:9001907 name: exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor def: "An exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor." [] synonym: "exposure to EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor is_a: ECTO:9001648 ! exposure to antiviral agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59897 ! has exposure stimulus EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor relationship: RO:0002309 CHEBI:59897 ! has exposure stimulus EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor [Term] id: ECTO:9001908 name: exposure to EC 1.14.18.1 (tyrosinase) inhibitor def: "An exposure to EC 1.14.18.1 (tyrosinase) inhibitor." [] synonym: "exposure to EC 1.14.18.1 (tyrosinase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:59997 ! has exposure stimulus EC 1.14.18.1 (tyrosinase) inhibitor relationship: RO:0002309 CHEBI:59997 ! has exposure stimulus EC 1.14.18.1 (tyrosinase) inhibitor [Term] id: ECTO:9001909 name: exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor def: "An exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor." [] synonym: "exposure to EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60186 ! has exposure stimulus EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor relationship: RO:0002309 CHEBI:60186 ! has exposure stimulus EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor [Term] id: ECTO:9001910 name: exposure to thyroid hormone def: "An exposure to thyroid hormone." [] synonym: "exposure to thyroid hormone" EXACT [] is_a: ECTO:0000516 ! exposure to hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60311 ! has exposure stimulus thyroid hormone relationship: RO:0002309 CHEBI:60311 ! has exposure stimulus thyroid hormone [Term] id: ECTO:9001911 name: exposure to opioid receptor agonist def: "An exposure to opioid receptor agonist." [] synonym: "exposure to opioid receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60606 ! has exposure stimulus opioid receptor agonist relationship: RO:0002309 CHEBI:60606 ! has exposure stimulus opioid receptor agonist [Term] id: ECTO:9001912 name: exposure to NMDA receptor antagonist def: "An exposure to NMDA receptor antagonist." [] synonym: "exposure to NMDA receptor antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60643 ! has exposure stimulus NMDA receptor antagonist relationship: RO:0002309 CHEBI:60643 ! has exposure stimulus NMDA receptor antagonist [Term] id: ECTO:9001913 name: exposure to anaesthesia adjuvant def: "An exposure to anaesthesia adjuvant." [] synonym: "exposure to anaesthesia adjuvant" EXACT [] is_a: ECTO:9001914 ! exposure to adjuvant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60807 ! has exposure stimulus anaesthesia adjuvant relationship: RO:0002309 CHEBI:60807 ! has exposure stimulus anaesthesia adjuvant [Term] id: ECTO:9001914 name: exposure to adjuvant def: "An exposure to adjuvant." [] synonym: "exposure to adjuvant" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60809 ! has exposure stimulus adjuvant relationship: RO:0002309 CHEBI:60809 ! has exposure stimulus adjuvant [Term] id: ECTO:9001915 name: exposure to tubulin modulator def: "An exposure to tubulin modulator." [] synonym: "exposure to tubulin modulator" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60832 ! has exposure stimulus tubulin modulator relationship: RO:0002309 CHEBI:60832 ! has exposure stimulus tubulin modulator [Term] id: ECTO:9001916 name: exposure to nephrotoxin def: "An exposure to nephrotoxin." [] synonym: "exposure to nephrotoxin" EXACT [] is_a: ECTO:9001878 ! exposure to nephrotoxic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61015 ! has exposure stimulus nephrotoxin relationship: RO:0002309 CHEBI:61015 ! has exposure stimulus nephrotoxin [Term] id: ECTO:9001917 name: exposure to angiotensin receptor antagonist def: "An exposure to angiotensin receptor antagonist." [] synonym: "exposure to angiotensin receptor antagonist" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61016 ! has exposure stimulus angiotensin receptor antagonist relationship: RO:0002309 CHEBI:61016 ! has exposure stimulus angiotensin receptor antagonist [Term] id: ECTO:9001918 name: exposure to EC 3.5.1.98 (histone deacetylase) inhibitor def: "An exposure to EC 3.5.1.98 (histone deacetylase) inhibitor." [] synonym: "exposure to EC 3.5.1.98 (histone deacetylase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61115 ! has exposure stimulus EC 3.5.1.98 (histone deacetylase) inhibitor relationship: RO:0002309 CHEBI:61115 ! has exposure stimulus EC 3.5.1.98 (histone deacetylase) inhibitor [Term] id: ECTO:9001919 name: exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor def: "An exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor." [] synonym: "exposure to EC 1.14.13.39 (nitric oxide synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61908 ! has exposure stimulus EC 1.14.13.39 (nitric oxide synthase) inhibitor relationship: RO:0002309 CHEBI:61908 ! has exposure stimulus EC 1.14.13.39 (nitric oxide synthase) inhibitor [Term] id: ECTO:9001920 name: exposure to microtubule-stabilising agent def: "An exposure to microtubule-stabilising agent." [] synonym: "exposure to microtubule-stabilising agent" EXACT [] is_a: ECTO:9001915 ! exposure to tubulin modulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61950 ! has exposure stimulus microtubule-stabilising agent relationship: RO:0002309 CHEBI:61950 ! has exposure stimulus microtubule-stabilising agent [Term] id: ECTO:9001921 name: exposure to microtubule-destabilising agent def: "An exposure to microtubule-destabilising agent." [] synonym: "exposure to microtubule-destabilising agent" EXACT [] is_a: ECTO:9001915 ! exposure to tubulin modulator is_a: ECTO:9001959 ! exposure to antimitotic intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61951 ! has exposure stimulus microtubule-destabilising agent relationship: RO:0002309 CHEBI:61951 ! has exposure stimulus microtubule-destabilising agent [Term] id: ECTO:9001922 name: exposure to metabotropic glutamate receptor agonist def: "An exposure to metabotropic glutamate receptor agonist." [] synonym: "exposure to metabotropic glutamate receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61966 ! has exposure stimulus metabotropic glutamate receptor agonist relationship: RO:0002309 CHEBI:61966 ! has exposure stimulus metabotropic glutamate receptor agonist [Term] id: ECTO:9001923 name: exposure to acyl donor def: "An exposure to acyl donor." [] synonym: "exposure to acyl donor" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62049 ! has exposure stimulus acyl donor relationship: RO:0002309 CHEBI:62049 ! has exposure stimulus acyl donor [Term] id: ECTO:9001924 name: exposure to allelochemical def: "An exposure to allelochemical." [] synonym: "exposure to allelochemical" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62215 ! has exposure stimulus allelochemical relationship: RO:0002309 CHEBI:62215 ! has exposure stimulus allelochemical [Term] id: ECTO:9001926 name: exposure to fuel additive def: "An exposure to fuel additive." [] synonym: "exposure to fuel additive" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62803 ! has exposure stimulus fuel additive relationship: RO:0002309 CHEBI:62803 ! has exposure stimulus fuel additive [Term] id: ECTO:9001927 name: exposure to hepatoprotective agent def: "An exposure to hepatoprotective agent." [] synonym: "exposure to hepatoprotective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62868 ! has exposure stimulus hepatoprotective agent relationship: RO:0002309 CHEBI:62868 ! has exposure stimulus hepatoprotective agent [Term] id: ECTO:9001928 name: exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor def: "An exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor." [] synonym: "exposure to EC 1.2.3.1 (aldehyde oxidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62872 ! has exposure stimulus EC 1.2.3.1 (aldehyde oxidase) inhibitor relationship: RO:0002309 CHEBI:62872 ! has exposure stimulus EC 1.2.3.1 (aldehyde oxidase) inhibitor [Term] id: ECTO:9001929 name: exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor def: "An exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor." [] synonym: "exposure to EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:62913 ! has exposure stimulus EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor relationship: RO:0002309 CHEBI:62913 ! has exposure stimulus EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor [Term] id: ECTO:9001930 name: exposure to food emulsifier def: "An exposure to food emulsifier." [] synonym: "exposure to food emulsifier" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63047 ! has exposure stimulus food emulsifier relationship: RO:0002309 CHEBI:63047 ! has exposure stimulus food emulsifier [Term] id: ECTO:9001931 name: exposure to sphingosine-1-phosphate receptor agonist def: "An exposure to sphingosine-1-phosphate receptor agonist." [] synonym: "exposure to sphingosine-1-phosphate receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63114 ! has exposure stimulus sphingosine-1-phosphate receptor agonist relationship: RO:0002309 CHEBI:63114 ! has exposure stimulus sphingosine-1-phosphate receptor agonist [Term] id: ECTO:9001932 name: exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor def: "An exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor." [] synonym: "exposure to EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63158 ! has exposure stimulus EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor relationship: RO:0002309 CHEBI:63158 ! has exposure stimulus EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor [Term] id: ECTO:9001933 name: exposure to T-cell proliferation inhibitor def: "An exposure to T-cell proliferation inhibitor." [] synonym: "exposure to T-cell proliferation inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63173 ! has exposure stimulus T-cell proliferation inhibitor relationship: RO:0002309 CHEBI:63173 ! has exposure stimulus T-cell proliferation inhibitor [Term] id: ECTO:9001934 name: exposure to reducing agent def: "An exposure to reducing agent." [] synonym: "exposure to reducing agent" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63247 ! has exposure stimulus reducing agent relationship: RO:0002309 CHEBI:63247 ! has exposure stimulus reducing agent [Term] id: ECTO:9001935 name: exposure to oxidising agent def: "An exposure to oxidising agent." [] synonym: "exposure to oxidising agent" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63248 ! has exposure stimulus oxidising agent relationship: RO:0002309 CHEBI:63248 ! has exposure stimulus oxidising agent [Term] id: ECTO:9001936 name: exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor def: "An exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor." [] synonym: "exposure to EC 3.1.3.1 (alkaline phosphatase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63332 ! has exposure stimulus EC 3.1.3.1 (alkaline phosphatase) inhibitor relationship: RO:0002309 CHEBI:63332 ! has exposure stimulus EC 3.1.3.1 (alkaline phosphatase) inhibitor [Term] id: ECTO:9001937 name: exposure to explosive def: "An exposure to explosive." [] synonym: "exposure to explosive" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63490 ! has exposure stimulus explosive relationship: RO:0002309 CHEBI:63490 ! has exposure stimulus explosive [Term] id: ECTO:9001938 name: exposure to neuroprotective agent def: "An exposure to neuroprotective agent." [] synonym: "exposure to neuroprotective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63726 ! has exposure stimulus neuroprotective agent relationship: RO:0002309 CHEBI:63726 ! has exposure stimulus neuroprotective agent [Term] id: ECTO:9001939 name: exposure to retinoid X receptor agonist def: "An exposure to retinoid X receptor agonist." [] synonym: "exposure to retinoid X receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63794 ! has exposure stimulus retinoid X receptor agonist relationship: RO:0002309 CHEBI:63794 ! has exposure stimulus retinoid X receptor agonist [Term] id: ECTO:9001940 name: exposure to Hsp90 inhibitor def: "An exposure to Hsp90 inhibitor." [] synonym: "exposure to Hsp90 inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:63962 ! has exposure stimulus Hsp90 inhibitor relationship: RO:0002309 CHEBI:63962 ! has exposure stimulus Hsp90 inhibitor [Term] id: ECTO:9001941 name: exposure to protein kinase C agonist def: "An exposure to protein kinase C agonist." [] synonym: "exposure to protein kinase C agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64018 ! has exposure stimulus protein kinase C agonist relationship: RO:0002309 CHEBI:64018 ! has exposure stimulus protein kinase C agonist [Term] id: ECTO:9001942 name: exposure to food additive def: "An exposure to food additive." [] synonym: "exposure to food additive" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application is_a: ECTO:9002063 ! exposure to food component intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64047 ! has exposure stimulus food additive relationship: RO:0002309 CHEBI:64047 ! has exposure stimulus food additive [Term] id: ECTO:9001943 name: exposure to food acidity regulator def: "An exposure to food acidity regulator." [] synonym: "exposure to food acidity regulator" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64049 ! has exposure stimulus food acidity regulator relationship: RO:0002309 CHEBI:64049 ! has exposure stimulus food acidity regulator [Term] id: ECTO:9001944 name: exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor def: "An exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor." [] synonym: "exposure to EC 2.5.1.58 (protein farnesyltransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64133 ! has exposure stimulus EC 2.5.1.58 (protein farnesyltransferase) inhibitor relationship: RO:0002309 CHEBI:64133 ! has exposure stimulus EC 2.5.1.58 (protein farnesyltransferase) inhibitor [Term] id: ECTO:9001945 name: exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor def: "An exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor." [] synonym: "exposure to EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64237 ! has exposure stimulus EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor relationship: RO:0002309 CHEBI:64237 ! has exposure stimulus EC 2.7.8.15 (UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase) inhibitor [Term] id: ECTO:9001946 name: exposure to MALDI matrix material def: "An exposure to MALDI matrix material." [] synonym: "exposure to MALDI matrix material" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64345 ! has exposure stimulus MALDI matrix material relationship: RO:0002309 CHEBI:64345 ! has exposure stimulus MALDI matrix material [Term] id: ECTO:9001947 name: exposure to EC 3.4.22.38 (cathepsin K) inhibitor def: "An exposure to EC 3.4.22.38 (cathepsin K) inhibitor." [] synonym: "exposure to EC 3.4.22.38 (cathepsin K) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64406 ! has exposure stimulus EC 3.4.22.38 (cathepsin K) inhibitor relationship: RO:0002309 CHEBI:64406 ! has exposure stimulus EC 3.4.22.38 (cathepsin K) inhibitor [Term] id: ECTO:9001948 name: exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor def: "An exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor." [] synonym: "exposure to EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64411 ! has exposure stimulus EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor relationship: RO:0002309 CHEBI:64411 ! has exposure stimulus EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor [Term] id: ECTO:9001949 name: exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor def: "An exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor." [] synonym: "exposure to EC 1.3.1.43 (arogenate dehydrogenase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64416 ! has exposure stimulus EC 1.3.1.43 (arogenate dehydrogenase) inhibitor relationship: RO:0002309 CHEBI:64416 ! has exposure stimulus EC 1.3.1.43 (arogenate dehydrogenase) inhibitor [Term] id: ECTO:9001950 name: exposure to monolignol def: "An exposure to monolignol." [] synonym: "exposure to monolignol" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64477 ! has exposure stimulus monolignol relationship: RO:0002309 CHEBI:64477 ! has exposure stimulus monolignol [Term] id: ECTO:9001951 name: exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor def: "An exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor." [] synonym: "exposure to EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64570 ! has exposure stimulus EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor relationship: RO:0002309 CHEBI:64570 ! has exposure stimulus EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor [Term] id: ECTO:9001952 name: exposure to NMDA receptor agonist def: "An exposure to NMDA receptor agonist." [] synonym: "exposure to NMDA receptor agonist" EXACT [] is_a: ECTO:9001832 ! exposure to excitatory amino acid agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64571 ! has exposure stimulus NMDA receptor agonist relationship: RO:0002309 CHEBI:64571 ! has exposure stimulus NMDA receptor agonist [Term] id: ECTO:9001953 name: exposure to flour treatment agent def: "An exposure to flour treatment agent." [] synonym: "exposure to flour treatment agent" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64577 ! has exposure stimulus flour treatment agent relationship: RO:0002309 CHEBI:64577 ! has exposure stimulus flour treatment agent [Term] id: ECTO:9001954 name: exposure to uremic toxin def: "An exposure to uremic toxin." [] synonym: "exposure to uremic toxin" EXACT [] is_a: ECTO:0000537 ! exposure to toxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64584 ! has exposure stimulus uremic toxin relationship: RO:0002309 CHEBI:64584 ! has exposure stimulus uremic toxin [Term] id: ECTO:9001955 name: exposure to glycine transporter 1 inhibitor def: "An exposure to glycine transporter 1 inhibitor." [] synonym: "exposure to glycine transporter 1 inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64588 ! has exposure stimulus glycine transporter 1 inhibitor relationship: RO:0002309 CHEBI:64588 ! has exposure stimulus glycine transporter 1 inhibitor [Term] id: ECTO:9001956 name: exposure to glycine receptor agonist def: "An exposure to glycine receptor agonist." [] synonym: "exposure to glycine receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64589 ! has exposure stimulus glycine receptor agonist relationship: RO:0002309 CHEBI:64589 ! has exposure stimulus glycine receptor agonist [Term] id: ECTO:9001957 name: exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor def: "An exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor." [] synonym: "exposure to EC 1.8.1.9 (thioredoxin reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64670 ! has exposure stimulus EC 1.8.1.9 (thioredoxin reductase) inhibitor relationship: RO:0002309 CHEBI:64670 ! has exposure stimulus EC 1.8.1.9 (thioredoxin reductase) inhibitor [Term] id: ECTO:9001958 name: exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor def: "An exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor." [] synonym: "exposure to EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor" EXACT [] is_a: ECTO:9001839 ! exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64763 ! has exposure stimulus EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor relationship: RO:0002309 CHEBI:64763 ! has exposure stimulus EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor [Term] id: ECTO:9001959 name: exposure to antimitotic def: "An exposure to antimitotic." [] synonym: "exposure to antimitotic" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64911 ! has exposure stimulus antimitotic relationship: RO:0002309 CHEBI:64911 ! has exposure stimulus antimitotic [Term] id: ECTO:9001960 name: exposure to antimycobacterial drug def: "An exposure to antimycobacterial drug." [] synonym: "exposure to antimycobacterial drug" EXACT [] is_a: ECTO:9001757 ! exposure to antibacterial drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64912 ! has exposure stimulus antimycobacterial drug relationship: RO:0002309 CHEBI:64912 ! has exposure stimulus antimycobacterial drug [Term] id: ECTO:9001961 name: exposure to serine protease inhibitor def: "An exposure to serine protease inhibitor." [] synonym: "exposure to serine protease inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64926 ! has exposure stimulus serine protease inhibitor relationship: RO:0002309 CHEBI:64926 ! has exposure stimulus serine protease inhibitor [Term] id: ECTO:9001962 name: exposure to anti-HIV agent def: "An exposure to anti-HIV agent." [] synonym: "exposure to anti-HIV agent" EXACT [] is_a: ECTO:9001648 ! exposure to antiviral agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64946 ! has exposure stimulus anti-HIV agent relationship: RO:0002309 CHEBI:64946 ! has exposure stimulus anti-HIV agent [Term] id: ECTO:9001963 name: exposure to anti-HSV-1 agent def: "An exposure to anti-HSV-1 agent." [] synonym: "exposure to anti-HSV-1 agent" EXACT [] is_a: ECTO:9001648 ! exposure to antiviral agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64953 ! has exposure stimulus anti-HSV-1 agent relationship: RO:0002309 CHEBI:64953 ! has exposure stimulus anti-HSV-1 agent [Term] id: ECTO:9001964 name: exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor def: "An exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor." [] synonym: "exposure to EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor" EXACT [] is_a: ECTO:9001754 ! exposure to lipoxygenase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64964 ! has exposure stimulus EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor relationship: RO:0002309 CHEBI:64964 ! has exposure stimulus EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor [Term] id: ECTO:9001965 name: exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor def: "An exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor." [] synonym: "exposure to EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor" EXACT [] is_a: ECTO:9001754 ! exposure to lipoxygenase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:64996 ! has exposure stimulus EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor relationship: RO:0002309 CHEBI:64996 ! has exposure stimulus EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor [Term] id: ECTO:9001966 name: exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor def: "An exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor." [] synonym: "exposure to EC 3.1.1.3 (triacylglycerol lipase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65001 ! has exposure stimulus EC 3.1.1.3 (triacylglycerol lipase) inhibitor relationship: RO:0002309 CHEBI:65001 ! has exposure stimulus EC 3.1.1.3 (triacylglycerol lipase) inhibitor [Term] id: ECTO:9001967 name: exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor def: "An exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor." [] synonym: "exposure to EC 4.1.1.19 (arginine decarboxylase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65053 ! has exposure stimulus EC 4.1.1.19 (arginine decarboxylase) inhibitor relationship: RO:0002309 CHEBI:65053 ! has exposure stimulus EC 4.1.1.19 (arginine decarboxylase) inhibitor [Term] id: ECTO:9001968 name: exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor def: "An exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor." [] synonym: "exposure to EC 3.1.3.11 (fructose-bisphosphatase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65056 ! has exposure stimulus EC 3.1.3.11 (fructose-bisphosphatase) inhibitor relationship: RO:0002309 CHEBI:65056 ! has exposure stimulus EC 3.1.3.11 (fructose-bisphosphatase) inhibitor [Term] id: ECTO:9001969 name: exposure to adenosine A1 receptor agonist def: "An exposure to adenosine A1 receptor agonist." [] synonym: "exposure to adenosine A1 receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65057 ! has exposure stimulus adenosine A1 receptor agonist relationship: RO:0002309 CHEBI:65057 ! has exposure stimulus adenosine A1 receptor agonist [Term] id: ECTO:9001970 name: exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor def: "An exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor." [] synonym: "exposure to EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65064 ! has exposure stimulus EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor relationship: RO:0002309 CHEBI:65064 ! has exposure stimulus EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor [Term] id: ECTO:9001971 name: exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor def: "An exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor." [] synonym: "exposure to EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65065 ! has exposure stimulus EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor relationship: RO:0002309 CHEBI:65065 ! has exposure stimulus EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor [Term] id: ECTO:9001972 name: exposure to first generation antipsychotic def: "An exposure to first generation antipsychotic." [] synonym: "exposure to first generation antipsychotic" EXACT [] is_a: ECTO:9001721 ! exposure to antipsychotic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65190 ! has exposure stimulus first generation antipsychotic relationship: RO:0002309 CHEBI:65190 ! has exposure stimulus first generation antipsychotic [Term] id: ECTO:9001973 name: exposure to second generation antipsychotic def: "An exposure to second generation antipsychotic." [] synonym: "exposure to second generation antipsychotic" EXACT [] is_a: ECTO:9001721 ! exposure to antipsychotic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65191 ! has exposure stimulus second generation antipsychotic relationship: RO:0002309 CHEBI:65191 ! has exposure stimulus second generation antipsychotic [Term] id: ECTO:9001974 name: exposure to EC 3.4.21.5 (thrombin) inhibitor def: "An exposure to EC 3.4.21.5 (thrombin) inhibitor." [] synonym: "exposure to EC 3.4.21.5 (thrombin) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65232 ! has exposure stimulus EC 3.4.21.5 (thrombin) inhibitor relationship: RO:0002309 CHEBI:65232 ! has exposure stimulus EC 3.4.21.5 (thrombin) inhibitor [Term] id: ECTO:9001975 name: exposure to antimicrobial food preservative def: "An exposure to antimicrobial food preservative." [] synonym: "exposure to antimicrobial food preservative" EXACT [] is_a: ECTO:0000544 ! exposure to antimicrobial agent is_a: ECTO:9002130 ! exposure to food preservative intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65256 ! has exposure stimulus antimicrobial food preservative relationship: RO:0002309 CHEBI:65256 ! has exposure stimulus antimicrobial food preservative [Term] id: ECTO:9001976 name: exposure to GABA antagonist def: "An exposure to GABA antagonist." [] synonym: "exposure to GABA antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65259 ! has exposure stimulus GABA antagonist relationship: RO:0002309 CHEBI:65259 ! has exposure stimulus GABA antagonist [Term] id: ECTO:9001977 name: exposure to antidyskinesia agent def: "An exposure to antidyskinesia agent." [] synonym: "exposure to antidyskinesia agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66956 ! has exposure stimulus antidyskinesia agent relationship: RO:0002309 CHEBI:66956 ! has exposure stimulus antidyskinesia agent [Term] id: ECTO:9001978 name: exposure to nootropic agent def: "An exposure to nootropic agent." [] synonym: "exposure to nootropic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66980 ! has exposure stimulus nootropic agent relationship: RO:0002309 CHEBI:66980 ! has exposure stimulus nootropic agent [Term] id: ECTO:9001979 name: exposure to radiation protective agent def: "An exposure to radiation protective agent." [] synonym: "exposure to radiation protective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66987 ! has exposure stimulus radiation protective agent relationship: RO:0002309 CHEBI:66987 ! has exposure stimulus radiation protective agent [Term] id: ECTO:9001980 name: exposure to tocolytic agent def: "An exposure to tocolytic agent." [] synonym: "exposure to tocolytic agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:66993 ! has exposure stimulus tocolytic agent relationship: RO:0002309 CHEBI:66993 ! has exposure stimulus tocolytic agent [Term] id: ECTO:9001981 name: exposure to cannabinoid receptor agonist def: "An exposure to cannabinoid receptor agonist." [] synonym: "exposure to cannabinoid receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67072 ! has exposure stimulus cannabinoid receptor agonist relationship: RO:0002309 CHEBI:67072 ! has exposure stimulus cannabinoid receptor agonist [Term] id: ECTO:9001982 name: exposure to anti-inflammatory agent def: "An exposure to anti-inflammatory agent." [] synonym: "exposure to anti-inflammatory agent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67079 ! has exposure stimulus anti-inflammatory agent relationship: RO:0002309 CHEBI:67079 ! has exposure stimulus anti-inflammatory agent [Term] id: ECTO:9001983 name: exposure to ryanodine receptor agonist def: "An exposure to ryanodine receptor agonist." [] synonym: "exposure to ryanodine receptor agonist" EXACT [] is_a: ECTO:9001792 ! exposure to ryanodine receptor modulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67114 ! has exposure stimulus ryanodine receptor agonist relationship: RO:0002309 CHEBI:67114 ! has exposure stimulus ryanodine receptor agonist [Term] id: ECTO:9001984 name: exposure to EC 3.4.24.3 (microbial collagenase) inhibitor def: "An exposure to EC 3.4.24.3 (microbial collagenase) inhibitor." [] synonym: "exposure to EC 3.4.24.3 (microbial collagenase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67189 ! has exposure stimulus EC 3.4.24.3 (microbial collagenase) inhibitor relationship: RO:0002309 CHEBI:67189 ! has exposure stimulus EC 3.4.24.3 (microbial collagenase) inhibitor [Term] id: ECTO:9001985 name: exposure to gap junctional intercellular communication inhibitor def: "An exposure to gap junctional intercellular communication inhibitor." [] synonym: "exposure to gap junctional intercellular communication inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67195 ! has exposure stimulus gap junctional intercellular communication inhibitor relationship: RO:0002309 CHEBI:67195 ! has exposure stimulus gap junctional intercellular communication inhibitor [Term] id: ECTO:9001986 name: exposure to retinoic acid receptor agonist def: "An exposure to retinoic acid receptor agonist." [] synonym: "exposure to retinoic acid receptor agonist" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67198 ! has exposure stimulus retinoic acid receptor agonist relationship: RO:0002309 CHEBI:67198 ! has exposure stimulus retinoic acid receptor agonist [Term] id: ECTO:9001987 name: exposure to AP-1 antagonist def: "An exposure to AP-1 antagonist." [] synonym: "exposure to AP-1 antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67199 ! has exposure stimulus AP-1 antagonist relationship: RO:0002309 CHEBI:67199 ! has exposure stimulus AP-1 antagonist [Term] id: ECTO:9001988 name: exposure to provitamin A def: "An exposure to provitamin A." [] synonym: "exposure to provitamin A" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67200 ! has exposure stimulus provitamin A relationship: RO:0002309 CHEBI:67200 ! has exposure stimulus provitamin A [Term] id: ECTO:9001989 name: exposure to mTOR inhibitor def: "An exposure to mTOR inhibitor." [] synonym: "exposure to mTOR inhibitor" EXACT [] is_a: ECTO:9001763 ! exposure to protein kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68481 ! has exposure stimulus mTOR inhibitor relationship: RO:0002309 CHEBI:68481 ! has exposure stimulus mTOR inhibitor [Term] id: ECTO:9001990 name: exposure to apoptosis inhibitor def: "An exposure to apoptosis inhibitor." [] synonym: "exposure to apoptosis inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68494 ! has exposure stimulus apoptosis inhibitor relationship: RO:0002309 CHEBI:68494 ! has exposure stimulus apoptosis inhibitor [Term] id: ECTO:9001991 name: exposure to apoptosis inducer def: "An exposure to apoptosis inducer." [] synonym: "exposure to apoptosis inducer" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68495 ! has exposure stimulus apoptosis inducer relationship: RO:0002309 CHEBI:68495 ! has exposure stimulus apoptosis inducer [Term] id: ECTO:9001992 name: exposure to glutathione depleting agent def: "An exposure to glutathione depleting agent." [] synonym: "exposure to glutathione depleting agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68509 ! has exposure stimulus glutathione depleting agent relationship: RO:0002309 CHEBI:68509 ! has exposure stimulus glutathione depleting agent [Term] id: ECTO:9001993 name: exposure to P2Y12 receptor antagonist def: "An exposure to P2Y12 receptor antagonist." [] synonym: "exposure to P2Y12 receptor antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:68563 ! has exposure stimulus P2Y12 receptor antagonist relationship: RO:0002309 CHEBI:68563 ! has exposure stimulus P2Y12 receptor antagonist [Term] id: ECTO:9001994 name: exposure to progesterone receptor agonist def: "An exposure to progesterone receptor agonist." [] synonym: "exposure to progesterone receptor agonist" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70709 ! has exposure stimulus progesterone receptor agonist relationship: RO:0002309 CHEBI:70709 ! has exposure stimulus progesterone receptor agonist [Term] id: ECTO:9001995 name: exposure to cell dedifferentiation agent def: "An exposure to cell dedifferentiation agent." [] synonym: "exposure to cell dedifferentiation agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70724 ! has exposure stimulus cell dedifferentiation agent relationship: RO:0002309 CHEBI:70724 ! has exposure stimulus cell dedifferentiation agent [Term] id: ECTO:9001996 name: exposure to adenosine A3 receptor antagonist def: "An exposure to adenosine A3 receptor antagonist." [] synonym: "exposure to adenosine A3 receptor antagonist" EXACT [] is_a: ECTO:9002006 ! exposure to adenosine receptor antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70725 ! has exposure stimulus adenosine A3 receptor antagonist relationship: RO:0002309 CHEBI:70725 ! has exposure stimulus adenosine A3 receptor antagonist [Term] id: ECTO:9001997 name: exposure to actin polymerisation inhibitor def: "An exposure to actin polymerisation inhibitor." [] synonym: "exposure to actin polymerisation inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70728 ! has exposure stimulus actin polymerisation inhibitor relationship: RO:0002309 CHEBI:70728 ! has exposure stimulus actin polymerisation inhibitor [Term] id: ECTO:9001998 name: exposure to Aurora kinase inhibitor def: "An exposure to Aurora kinase inhibitor." [] synonym: "exposure to Aurora kinase inhibitor" EXACT [] is_a: ECTO:9001763 ! exposure to protein kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70770 ! has exposure stimulus Aurora kinase inhibitor relationship: RO:0002309 CHEBI:70770 ! has exposure stimulus Aurora kinase inhibitor [Term] id: ECTO:9001999 name: exposure to capsaicin receptor antagonist def: "An exposure to capsaicin receptor antagonist." [] synonym: "exposure to capsaicin receptor antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70774 ! has exposure stimulus capsaicin receptor antagonist relationship: RO:0002309 CHEBI:70774 ! has exposure stimulus capsaicin receptor antagonist [Term] id: ECTO:9002000 name: exposure to PPARalpha agonist def: "An exposure to PPARalpha agonist." [] synonym: "exposure to PPARalpha agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70782 ! has exposure stimulus PPARalpha agonist relationship: RO:0002309 CHEBI:70782 ! has exposure stimulus PPARalpha agonist [Term] id: ECTO:9002001 name: exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor def: "An exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor." [] synonym: "exposure to EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70817 ! has exposure stimulus EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor relationship: RO:0002309 CHEBI:70817 ! has exposure stimulus EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor [Term] id: ECTO:9002002 name: exposure to antileishmanial agent def: "An exposure to antileishmanial agent." [] synonym: "exposure to antileishmanial agent" EXACT [] is_a: ECTO:9001751 ! exposure to antiprotozoal drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70868 ! has exposure stimulus antileishmanial agent relationship: RO:0002309 CHEBI:70868 ! has exposure stimulus antileishmanial agent [Term] id: ECTO:9002003 name: exposure to G-protein-coupled receptor agonist def: "An exposure to G-protein-coupled receptor agonist." [] synonym: "exposure to G-protein-coupled receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:70998 ! has exposure stimulus G-protein-coupled receptor agonist relationship: RO:0002309 CHEBI:70998 ! has exposure stimulus G-protein-coupled receptor agonist [Term] id: ECTO:9002004 name: exposure to Sir2 inhibitor def: "An exposure to Sir2 inhibitor." [] synonym: "exposure to Sir2 inhibitor" EXACT [] is_a: ECTO:9001918 ! exposure to EC 3.5.1.98 (histone deacetylase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71181 ! has exposure stimulus Sir2 inhibitor relationship: RO:0002309 CHEBI:71181 ! has exposure stimulus Sir2 inhibitor [Term] id: ECTO:9002005 name: exposure to prohormone def: "An exposure to prohormone." [] synonym: "exposure to prohormone" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71212 ! has exposure stimulus prohormone relationship: RO:0002309 CHEBI:71212 ! has exposure stimulus prohormone [Term] id: ECTO:9002006 name: exposure to adenosine receptor antagonist def: "An exposure to adenosine receptor antagonist." [] synonym: "exposure to adenosine receptor antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71232 ! has exposure stimulus adenosine receptor antagonist relationship: RO:0002309 CHEBI:71232 ! has exposure stimulus adenosine receptor antagonist [Term] id: ECTO:9002007 name: exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor def: "An exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor." [] synonym: "exposure to EC 2.3.1.85 (fatty acid synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71476 ! has exposure stimulus EC 2.3.1.85 (fatty acid synthase) inhibitor relationship: RO:0002309 CHEBI:71476 ! has exposure stimulus EC 2.3.1.85 (fatty acid synthase) inhibitor [Term] id: ECTO:9002008 name: exposure to virulence factor def: "An exposure to virulence factor." [] synonym: "exposure to virulence factor" EXACT [] is_a: ECTO:0000537 ! exposure to toxin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:72316 ! has exposure stimulus virulence factor relationship: RO:0002309 CHEBI:72316 ! has exposure stimulus virulence factor [Term] id: ECTO:9002009 name: exposure to aryl hydrocarbon receptor agonist def: "An exposure to aryl hydrocarbon receptor agonist." [] synonym: "exposure to aryl hydrocarbon receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:72768 ! has exposure stimulus aryl hydrocarbon receptor agonist relationship: RO:0002309 CHEBI:72768 ! has exposure stimulus aryl hydrocarbon receptor agonist [Term] id: ECTO:9002010 name: exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitors def: "An exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor." [] synonym: "exposure to EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73181 ! has exposure stimulus EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor relationship: RO:0002309 CHEBI:73181 ! has exposure stimulus EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor [Term] id: ECTO:9002011 name: exposure to plant activator def: "An exposure to plant activator." [] synonym: "exposure to plant activator" EXACT [] is_a: ECTO:9001696 ! exposure to agrochemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73182 ! has exposure stimulus plant activator relationship: RO:0002309 CHEBI:73182 ! has exposure stimulus plant activator [Term] id: ECTO:9002012 name: exposure to abscisic acid receptor agonist def: "An exposure to abscisic acid receptor agonist." [] synonym: "exposure to abscisic acid receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73191 ! has exposure stimulus abscisic acid receptor agonist relationship: RO:0002309 CHEBI:73191 ! has exposure stimulus abscisic acid receptor agonist [Term] id: ECTO:9002013 name: exposure to NF-kappaB inhibitor def: "An exposure to NF-kappaB inhibitor." [] synonym: "exposure to NF-kappaB inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73240 ! has exposure stimulus NF-kappaB inhibitor relationship: RO:0002309 CHEBI:73240 ! has exposure stimulus NF-kappaB inhibitor [Term] id: ECTO:9002014 name: exposure to cyclooxygenase 3 inhibitor def: "An exposure to cyclooxygenase 3 inhibitor." [] synonym: "exposure to cyclooxygenase 3 inhibitor" EXACT [] is_a: ECTO:9001735 ! exposure to EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73263 ! has exposure stimulus cyclooxygenase 3 inhibitor relationship: RO:0002309 CHEBI:73263 ! has exposure stimulus cyclooxygenase 3 inhibitor [Term] id: ECTO:9002015 name: exposure to ultraviolet filter def: "An exposure to ultraviolet filter." [] synonym: "exposure to ultraviolet filter" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73335 ! has exposure stimulus ultraviolet filter relationship: RO:0002309 CHEBI:73335 ! has exposure stimulus ultraviolet filter [Term] id: ECTO:9002016 name: exposure to vulnerary def: "An exposure to vulnerary." [] synonym: "exposure to vulnerary" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73336 ! has exposure stimulus vulnerary relationship: RO:0002309 CHEBI:73336 ! has exposure stimulus vulnerary [Term] id: ECTO:9002017 name: exposure to methionine aminopeptidase 2 inhibitor def: "An exposure to methionine aminopeptidase 2 inhibitor." [] synonym: "exposure to methionine aminopeptidase 2 inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73361 ! has exposure stimulus methionine aminopeptidase 2 inhibitor relationship: RO:0002309 CHEBI:73361 ! has exposure stimulus methionine aminopeptidase 2 inhibitor [Term] id: ECTO:9002018 name: exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor def: "An exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor." [] synonym: "exposure to EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:74213 ! has exposure stimulus EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor relationship: RO:0002309 CHEBI:74213 ! has exposure stimulus EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor [Term] id: ECTO:9002019 name: exposure to antidote to paracetamol poisoning def: "An exposure to antidote to paracetamol poisoning." [] synonym: "exposure to antidote to paracetamol poisoning" EXACT [] is_a: ECTO:9001840 ! exposure to antidote intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:74529 ! has exposure stimulus antidote to paracetamol poisoning relationship: RO:0002309 CHEBI:74529 ! has exposure stimulus antidote to paracetamol poisoning [Term] id: ECTO:9002020 name: exposure to antidote to curare poisoning def: "An exposure to antidote to curare poisoning." [] synonym: "exposure to antidote to curare poisoning" EXACT [] is_a: ECTO:9001840 ! exposure to antidote intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:74530 ! has exposure stimulus antidote to curare poisoning relationship: RO:0002309 CHEBI:74530 ! has exposure stimulus antidote to curare poisoning [Term] id: ECTO:9002021 name: exposure to astringent def: "An exposure to astringent." [] synonym: "exposure to astringent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:74783 ! has exposure stimulus astringent relationship: RO:0002309 CHEBI:74783 ! has exposure stimulus astringent [Term] id: ECTO:9002022 name: exposure to chromogenic compound def: "An exposure to chromogenic compound." [] synonym: "exposure to chromogenic compound" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75050 ! has exposure stimulus chromogenic compound relationship: RO:0002309 CHEBI:75050 ! has exposure stimulus chromogenic compound [Term] id: ECTO:9002023 name: exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor def: "An exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor." [] synonym: "exposure to EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75190 ! has exposure stimulus EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor relationship: RO:0002309 CHEBI:75190 ! has exposure stimulus EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor [Term] id: ECTO:9002024 name: exposure to ergosterol biosynthesis inhibitor def: "An exposure to ergosterol biosynthesis inhibitor." [] synonym: "exposure to ergosterol biosynthesis inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75282 ! has exposure stimulus ergosterol biosynthesis inhibitor relationship: RO:0002309 CHEBI:75282 ! has exposure stimulus ergosterol biosynthesis inhibitor [Term] id: ECTO:9002025 name: exposure to EC 1.11.1.6 (catalase) inhibitor def: "An exposure to EC 1.11.1.6 (catalase) inhibitor." [] synonym: "exposure to EC 1.11.1.6 (catalase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75380 ! has exposure stimulus EC 1.11.1.6 (catalase) inhibitor relationship: RO:0002309 CHEBI:75380 ! has exposure stimulus EC 1.11.1.6 (catalase) inhibitor [Term] id: ECTO:9002026 name: exposure to B vitamin def: "An exposure to B vitamin." [] synonym: "exposure to B vitamin" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75769 ! has exposure stimulus B vitamin relationship: RO:0002309 CHEBI:75769 ! has exposure stimulus B vitamin [Term] id: ECTO:9002027 name: exposure to xenobiotic metabolite def: "An exposure to xenobiotic metabolite." [] synonym: "exposure to xenobiotic metabolite" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76206 ! has exposure stimulus xenobiotic metabolite relationship: RO:0002309 CHEBI:76206 ! has exposure stimulus xenobiotic metabolite [Term] id: ECTO:9002028 name: exposure to greenhouse gas def: "An exposure to greenhouse gas." [] synonym: "exposure to greenhouse gas" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76413 ! has exposure stimulus greenhouse gas relationship: RO:0002309 CHEBI:76413 ! has exposure stimulus greenhouse gas [Term] id: ECTO:9002029 name: exposure to nephroprotective agent def: "An exposure to nephroprotective agent." [] synonym: "exposure to nephroprotective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76595 ! has exposure stimulus nephroprotective agent relationship: RO:0002309 CHEBI:76595 ! has exposure stimulus nephroprotective agent [Term] id: ECTO:9002030 name: exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor def: "An exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor." [] synonym: "exposure to EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor" EXACT [] is_a: ECTO:9001788 ! exposure to tyrosine kinase inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76617 ! has exposure stimulus EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor relationship: RO:0002309 CHEBI:76617 ! has exposure stimulus EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor [Term] id: ECTO:9002031 name: exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor def: "An exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor." [] synonym: "exposure to EC 3.4.21.26 (prolyl oligopeptidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76779 ! has exposure stimulus EC 3.4.21.26 (prolyl oligopeptidase) inhibitor relationship: RO:0002309 CHEBI:76779 ! has exposure stimulus EC 3.4.21.26 (prolyl oligopeptidase) inhibitor [Term] id: ECTO:9002032 name: exposure to EC 2.5.1.18 (glutathione transferase) inhibitor def: "An exposure to EC 2.5.1.18 (glutathione transferase) inhibitor." [] synonym: "exposure to EC 2.5.1.18 (glutathione transferase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76797 ! has exposure stimulus EC 2.5.1.18 (glutathione transferase) inhibitor relationship: RO:0002309 CHEBI:76797 ! has exposure stimulus EC 2.5.1.18 (glutathione transferase) inhibitor [Term] id: ECTO:9002033 name: exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor def: "An exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor." [] synonym: "exposure to EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor" EXACT [] is_a: ECTO:9001839 ! exposure to EC 3.1.4.* (phosphoric diester hydrolase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76811 ! has exposure stimulus EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor relationship: RO:0002309 CHEBI:76811 ! has exposure stimulus EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor [Term] id: ECTO:9002034 name: exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor def: "An exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor." [] synonym: "exposure to EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76891 ! has exposure stimulus EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor relationship: RO:0002309 CHEBI:76891 ! has exposure stimulus EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor [Term] id: ECTO:9002035 name: exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor def: "An exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor." [] synonym: "exposure to EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76893 ! has exposure stimulus EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor relationship: RO:0002309 CHEBI:76893 ! has exposure stimulus EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor [Term] id: ECTO:9002036 name: exposure to xenoestrogen def: "An exposure to xenoestrogen." [] synonym: "exposure to xenoestrogen" EXACT [] is_a: ECTO:9000010 ! exposure to estrogens is_a: ECTO:9001630 ! exposure to endocrine disruptor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76988 ! has exposure stimulus xenoestrogen relationship: RO:0002309 CHEBI:76988 ! has exposure stimulus xenoestrogen [Term] id: ECTO:9002037 name: exposure to phytoestrogen def: "An exposure to phytoestrogen." [] synonym: "exposure to phytoestrogen" EXACT [] is_a: ECTO:9000010 ! exposure to estrogens intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:76989 ! has exposure stimulus phytoestrogen relationship: RO:0002309 CHEBI:76989 ! has exposure stimulus phytoestrogen [Term] id: ECTO:9002038 name: exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor def: "An exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor." [] synonym: "exposure to EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77020 ! has exposure stimulus EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor relationship: RO:0002309 CHEBI:77020 ! has exposure stimulus EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor [Term] id: ECTO:9002039 name: exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor def: "An exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor." [] synonym: "exposure to EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77024 ! has exposure stimulus EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor relationship: RO:0002309 CHEBI:77024 ! has exposure stimulus EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor [Term] id: ECTO:9002040 name: exposure to expectorant def: "An exposure to expectorant." [] synonym: "exposure to expectorant" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77035 ! has exposure stimulus expectorant relationship: RO:0002309 CHEBI:77035 ! has exposure stimulus expectorant [Term] id: ECTO:9002041 name: exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor def: "An exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor." [] synonym: "exposure to EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77111 ! has exposure stimulus EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor relationship: RO:0002309 CHEBI:77111 ! has exposure stimulus EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor [Term] id: ECTO:9002042 name: exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor def: "An exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor." [] synonym: "exposure to EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77119 ! has exposure stimulus EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor relationship: RO:0002309 CHEBI:77119 ! has exposure stimulus EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor [Term] id: ECTO:9002043 name: exposure to histological dye def: "An exposure to histological dye." [] synonym: "exposure to histological dye" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77178 ! has exposure stimulus histological dye relationship: RO:0002309 CHEBI:77178 ! has exposure stimulus histological dye [Term] id: ECTO:9002044 name: exposure to food colouring def: "An exposure to food colouring." [] synonym: "exposure to food colouring" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77182 ! has exposure stimulus food colouring relationship: RO:0002309 CHEBI:77182 ! has exposure stimulus food colouring [Term] id: ECTO:9002045 name: exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor def: "An exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor." [] synonym: "exposure to EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77255 ! has exposure stimulus EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor relationship: RO:0002309 CHEBI:77255 ! has exposure stimulus EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor [Term] id: ECTO:9002046 name: exposure to cardioprotective agent def: "An exposure to cardioprotective agent." [] synonym: "exposure to cardioprotective agent" EXACT [] is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77307 ! has exposure stimulus cardioprotective agent relationship: RO:0002309 CHEBI:77307 ! has exposure stimulus cardioprotective agent [Term] id: ECTO:9002047 name: exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor def: "An exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor." [] synonym: "exposure to EC 1.1.1.188 (prostaglandin-F synthase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77425 ! has exposure stimulus EC 1.1.1.188 (prostaglandin-F synthase) inhibitor relationship: RO:0002309 CHEBI:77425 ! has exposure stimulus EC 1.1.1.188 (prostaglandin-F synthase) inhibitor [Term] id: ECTO:9002048 name: exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor def: "An exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor." [] synonym: "exposure to EC 1.1.1.25 (shikimate dehydrogenase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77484 ! has exposure stimulus EC 1.1.1.25 (shikimate dehydrogenase) inhibitor relationship: RO:0002309 CHEBI:77484 ! has exposure stimulus EC 1.1.1.25 (shikimate dehydrogenase) inhibitor [Term] id: ECTO:9002049 name: exposure to Maillard reaction product def: "An exposure to Maillard reaction product." [] synonym: "exposure to Maillard reaction product" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77523 ! has exposure stimulus Maillard reaction product relationship: RO:0002309 CHEBI:77523 ! has exposure stimulus Maillard reaction product [Term] id: ECTO:9002050 name: exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor def: "An exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor." [] synonym: "exposure to EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77654 ! has exposure stimulus EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor relationship: RO:0002309 CHEBI:77654 ! has exposure stimulus EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor [Term] id: ECTO:9002051 name: exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor def: "An exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor." [] synonym: "exposure to EC 4.3.1.3 (histidine ammonia-lyase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77703 ! has exposure stimulus EC 4.3.1.3 (histidine ammonia-lyase) inhibitor relationship: RO:0002309 CHEBI:77703 ! has exposure stimulus EC 4.3.1.3 (histidine ammonia-lyase) inhibitor [Term] id: ECTO:9002052 name: exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor def: "An exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor." [] synonym: "exposure to EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77706 ! has exposure stimulus EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor relationship: RO:0002309 CHEBI:77706 ! has exposure stimulus EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor [Term] id: ECTO:9002053 name: exposure to persistent organic pollutant def: "An exposure to persistent organic pollutant." [] synonym: "exposure to persistent organic pollutant" EXACT [] is_a: ECTO:0000931 ! exposure to environmental contaminant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77853 ! has exposure stimulus persistent organic pollutant relationship: RO:0002309 CHEBI:77853 ! has exposure stimulus persistent organic pollutant [Term] id: ECTO:9002054 name: exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor def: "An exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor." [] synonym: "exposure to EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77881 ! has exposure stimulus EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor relationship: RO:0002309 CHEBI:77881 ! has exposure stimulus EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor [Term] id: ECTO:9002056 name: exposure to food antioxidant def: "An exposure to food antioxidant." [] synonym: "exposure to food antioxidant" EXACT [] is_a: ECTO:9001647 ! exposure to antioxidant is_a: ECTO:9002130 ! exposure to food preservative intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77962 ! has exposure stimulus food antioxidant relationship: RO:0002309 CHEBI:77962 ! has exposure stimulus food antioxidant [Term] id: ECTO:9002057 name: exposure to food stabiliser def: "An exposure to food stabiliser." [] synonym: "exposure to food stabiliser" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77966 ! has exposure stimulus food stabiliser relationship: RO:0002309 CHEBI:77966 ! has exposure stimulus food stabiliser [Term] id: ECTO:9002058 name: exposure to food thickening agent def: "An exposure to food thickening agent." [] synonym: "exposure to food thickening agent" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77970 ! has exposure stimulus food thickening agent relationship: RO:0002309 CHEBI:77970 ! has exposure stimulus food thickening agent [Term] id: ECTO:9002059 name: exposure to food packaging gas def: "An exposure to food packaging gas." [] synonym: "exposure to food packaging gas" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:77974 ! has exposure stimulus food packaging gas relationship: RO:0002309 CHEBI:77974 ! has exposure stimulus food packaging gas [Term] id: ECTO:9002060 name: exposure to food bleaching agent def: "An exposure to food bleaching agent." [] synonym: "exposure to food bleaching agent" EXACT [] is_a: ECTO:9001701 ! exposure to reagent is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78003 ! has exposure stimulus food bleaching agent relationship: RO:0002309 CHEBI:78003 ! has exposure stimulus food bleaching agent [Term] id: ECTO:9002061 name: exposure to food gelling agent def: "An exposure to food gelling agent." [] synonym: "exposure to food gelling agent" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78016 ! has exposure stimulus food gelling agent relationship: RO:0002309 CHEBI:78016 ! has exposure stimulus food gelling agent [Term] id: ECTO:9002062 name: exposure to food propellant def: "An exposure to food propellant." [] synonym: "exposure to food propellant" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78017 ! has exposure stimulus food propellant relationship: RO:0002309 CHEBI:78017 ! has exposure stimulus food propellant [Term] id: ECTO:9002063 name: exposure to food component def: "An exposure to food component." [] synonym: "exposure to food component" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78295 ! has exposure stimulus food component relationship: RO:0002309 CHEBI:78295 ! has exposure stimulus food component [Term] id: ECTO:9002065 name: exposure to EC 2.7.1.1 (hexokinase) inhibitor def: "An exposure to EC 2.7.1.1 (hexokinase) inhibitor." [] synonym: "exposure to EC 2.7.1.1 (hexokinase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78366 ! has exposure stimulus EC 2.7.1.1 (hexokinase) inhibitor relationship: RO:0002309 CHEBI:78366 ! has exposure stimulus EC 2.7.1.1 (hexokinase) inhibitor [Term] id: ECTO:9002066 name: exposure to refrigerant def: "An exposure to refrigerant." [] synonym: "exposure to refrigerant" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78433 ! has exposure stimulus refrigerant relationship: RO:0002309 CHEBI:78433 ! has exposure stimulus refrigerant [Term] id: ECTO:9002067 name: exposure to EC 3.1.1.1 (carboxylesterase) inhibitor def: "An exposure to EC 3.1.1.1 (carboxylesterase) inhibitor." [] synonym: "exposure to EC 3.1.1.1 (carboxylesterase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78444 ! has exposure stimulus EC 3.1.1.1 (carboxylesterase) inhibitor relationship: RO:0002309 CHEBI:78444 ! has exposure stimulus EC 3.1.1.1 (carboxylesterase) inhibitor [Term] id: ECTO:9002068 name: exposure to protein kinase A agonist def: "An exposure to protein kinase A agonist." [] synonym: "exposure to protein kinase A agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78547 ! has exposure stimulus protein kinase A agonist relationship: RO:0002309 CHEBI:78547 ! has exposure stimulus protein kinase A agonist [Term] id: ECTO:9002069 name: exposure to adenylate cyclase agonist def: "An exposure to adenylate cyclase agonist." [] synonym: "exposure to adenylate cyclase agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78548 ! has exposure stimulus adenylate cyclase agonist relationship: RO:0002309 CHEBI:78548 ! has exposure stimulus adenylate cyclase agonist [Term] id: ECTO:9002070 name: exposure to fundamental metabolite def: "An exposure to fundamental metabolite." [] synonym: "exposure to fundamental metabolite" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78675 ! has exposure stimulus fundamental metabolite relationship: RO:0002309 CHEBI:78675 ! has exposure stimulus fundamental metabolite [Term] id: ECTO:9002071 name: exposure to plasticiser def: "An exposure to plasticiser." [] synonym: "exposure to plasticiser" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:79056 ! has exposure stimulus plasticiser relationship: RO:0002309 CHEBI:79056 ! has exposure stimulus plasticiser [Term] id: ECTO:9002072 name: exposure to phytochrome chromophore def: "An exposure to phytochrome chromophore." [] synonym: "exposure to phytochrome chromophore" EXACT [] is_a: ECTO:9001653 ! exposure to chromophore intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82632 ! has exposure stimulus phytochrome chromophore relationship: RO:0002309 CHEBI:82632 ! has exposure stimulus phytochrome chromophore [Term] id: ECTO:9002073 name: exposure to EC 3.5.1.19 (nicotinamidase) inhibitor def: "An exposure to EC 3.5.1.19 (nicotinamidase) inhibitor." [] synonym: "exposure to EC 3.5.1.19 (nicotinamidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:84264 ! has exposure stimulus EC 3.5.1.19 (nicotinamidase) inhibitor relationship: RO:0002309 CHEBI:84264 ! has exposure stimulus EC 3.5.1.19 (nicotinamidase) inhibitor [Term] id: ECTO:9002074 name: exposure to skin lightening agent def: "An exposure to skin lightening agent." [] synonym: "exposure to skin lightening agent" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85046 ! has exposure stimulus skin lightening agent relationship: RO:0002309 CHEBI:85046 ! has exposure stimulus skin lightening agent [Term] id: ECTO:9002075 name: exposure to EC 1.10.3.1 (catechol oxidase) inhibitor def: "An exposure to EC 1.10.3.1 (catechol oxidase) inhibitor." [] synonym: "exposure to EC 1.10.3.1 (catechol oxidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85049 ! has exposure stimulus EC 1.10.3.1 (catechol oxidase) inhibitor relationship: RO:0002309 CHEBI:85049 ! has exposure stimulus EC 1.10.3.1 (catechol oxidase) inhibitor [Term] id: ECTO:9002076 name: exposure to EC 1.10.3.2 (laccase) inhibitor def: "An exposure to EC 1.10.3.2 (laccase) inhibitor." [] synonym: "exposure to EC 1.10.3.2 (laccase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85050 ! has exposure stimulus EC 1.10.3.2 (laccase) inhibitor relationship: RO:0002309 CHEBI:85050 ! has exposure stimulus EC 1.10.3.2 (laccase) inhibitor [Term] id: ECTO:9002077 name: exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor def: "An exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor." [] synonym: "exposure to EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85051 ! has exposure stimulus EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor relationship: RO:0002309 CHEBI:85051 ! has exposure stimulus EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor [Term] id: ECTO:9002078 name: exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor def: "An exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor." [] synonym: "exposure to EC 1.4.3.3 (D-amino-acid oxidase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85052 ! has exposure stimulus EC 1.4.3.3 (D-amino-acid oxidase) inhibitor relationship: RO:0002309 CHEBI:85052 ! has exposure stimulus EC 1.4.3.3 (D-amino-acid oxidase) inhibitor [Term] id: ECTO:9002079 name: exposure to human blood serum metabolite def: "An exposure to human blood serum metabolite." [] synonym: "exposure to human blood serum metabolite" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:85234 ! has exposure stimulus human blood serum metabolite relationship: RO:0002309 CHEBI:85234 ! has exposure stimulus human blood serum metabolite [Term] id: ECTO:9002080 name: exposure to antifungal drug def: "An exposure to antifungal drug." [] synonym: "exposure to antifungal drug" EXACT [] is_a: ECTO:9001711 ! exposure to antiinfective agent is_a: ECTO:9001749 ! exposure to antifungal agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:86327 ! has exposure stimulus antifungal drug relationship: RO:0002309 CHEBI:86327 ! has exposure stimulus antifungal drug [Term] id: ECTO:9002081 name: exposure to antifungal agrochemical def: "An exposure to antifungal agrochemical." [] synonym: "exposure to antifungal agrochemical" EXACT [] is_a: ECTO:9000092 ! exposure to fungicide is_a: ECTO:9001696 ! exposure to agrochemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:86328 ! has exposure stimulus antifungal agrochemical relationship: RO:0002309 CHEBI:86328 ! has exposure stimulus antifungal agrochemical [Term] id: ECTO:9002082 name: exposure to drug allergen def: "An exposure to drug allergen." [] synonym: "exposure to drug allergen" EXACT [] is_a: ECTO:0000509 ! exposure to drug is_a: ECTO:0000726 ! exposure to allergen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88188 ! has exposure stimulus drug allergen relationship: RO:0002309 CHEBI:88188 ! has exposure stimulus drug allergen [Term] id: ECTO:9002083 name: exposure to autophagy inhibitor def: "An exposure to autophagy inhibitor." [] synonym: "exposure to autophagy inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88230 ! has exposure stimulus autophagy inhibitor relationship: RO:0002309 CHEBI:88230 ! has exposure stimulus autophagy inhibitor [Term] id: ECTO:9002084 name: exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor def: "An exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor." [] synonym: "exposure to EC 6.4.1.1 (pyruvate carboxylase) inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:90318 ! has exposure stimulus EC 6.4.1.1 (pyruvate carboxylase) inhibitor relationship: RO:0002309 CHEBI:90318 ! has exposure stimulus EC 6.4.1.1 (pyruvate carboxylase) inhibitor [Term] id: ECTO:9002085 name: exposure to erythropoietin inhibitor def: "An exposure to erythropoietin inhibitor." [] synonym: "exposure to erythropoietin inhibitor" EXACT [] is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:91025 ! has exposure stimulus erythropoietin inhibitor relationship: RO:0002309 CHEBI:91025 ! has exposure stimulus erythropoietin inhibitor [Term] id: ECTO:9002086 name: exposure to elastin-laminin receptor agonist def: "An exposure to elastin-laminin receptor agonist." [] synonym: "exposure to elastin-laminin receptor agonist" EXACT [] is_a: ECTO:0000672 ! exposure to agonist intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:91139 ! has exposure stimulus elastin-laminin receptor agonist relationship: RO:0002309 CHEBI:91139 ! has exposure stimulus elastin-laminin receptor agonist [Term] id: ECTO:9002087 name: exposure to antifeedant def: "An exposure to antifeedant." [] synonym: "exposure to antifeedant" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:22583 ! has exposure stimulus antifeedant relationship: RO:0002309 CHEBI:22583 ! has exposure stimulus antifeedant [Term] id: ECTO:9002088 name: exposure to chemosterilant def: "An exposure to chemosterilant." [] synonym: "exposure to chemosterilant" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23092 ! has exposure stimulus chemosterilant relationship: RO:0002309 CHEBI:23092 ! has exposure stimulus chemosterilant [Term] id: ECTO:9002089 name: exposure to chitin synthesis inhibitor def: "An exposure to chitin synthesis inhibitor." [] synonym: "exposure to chitin synthesis inhibitor" EXACT [] is_a: ECTO:9002093 ! exposure to insect growth regulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23100 ! has exposure stimulus chitin synthesis inhibitor relationship: RO:0002309 CHEBI:23100 ! has exposure stimulus chitin synthesis inhibitor [Term] id: ECTO:9002090 name: exposure to cytochrome-b6f complex inhibitor def: "An exposure to cytochrome-b6f complex inhibitor." [] synonym: "exposure to cytochrome-b6f complex inhibitor" EXACT [] is_a: ECTO:9002097 ! exposure to photosynthetic electron-transport chain inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23529 ! has exposure stimulus cytochrome-b6f complex inhibitor relationship: RO:0002309 CHEBI:23529 ! has exposure stimulus cytochrome-b6f complex inhibitor [Term] id: ECTO:9002091 name: exposure to ecdysone antagonists def: "An exposure to ecdysone antagonists." [] synonym: "exposure to ecdysone antagonists" EXACT [] is_a: ECTO:9002093 ! exposure to insect growth regulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:23891 ! has exposure stimulus ecdysone antagonists relationship: RO:0002309 CHEBI:23891 ! has exposure stimulus ecdysone antagonists [Term] id: ECTO:9002092 name: exposure to insect attractant def: "An exposure to insect attractant." [] synonym: "exposure to insect attractant" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24850 ! has exposure stimulus insect attractant relationship: RO:0002309 CHEBI:24850 ! has exposure stimulus insect attractant [Term] id: ECTO:9002093 name: exposure to insect growth regulator def: "An exposure to insect growth regulator." [] synonym: "exposure to insect growth regulator" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24851 ! has exposure stimulus insect growth regulator relationship: RO:0002309 CHEBI:24851 ! has exposure stimulus insect growth regulator [Term] id: ECTO:9002094 name: exposure to juvenile hormone antagonists def: "An exposure to juvenile hormone antagonists." [] synonym: "exposure to juvenile hormone antagonists" EXACT [] is_a: ECTO:9002093 ! exposure to insect growth regulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24941 ! has exposure stimulus juvenile hormone antagonists relationship: RO:0002309 CHEBI:24941 ! has exposure stimulus juvenile hormone antagonists [Term] id: ECTO:9002095 name: exposure to juvenile hormone mimic def: "An exposure to juvenile hormone mimic." [] synonym: "exposure to juvenile hormone mimic" EXACT [] is_a: ECTO:9002093 ! exposure to insect growth regulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:24942 ! has exposure stimulus juvenile hormone mimic relationship: RO:0002309 CHEBI:24942 ! has exposure stimulus juvenile hormone mimic [Term] id: ECTO:9002096 name: exposure to pesticide synergist def: "An exposure to pesticide synergist." [] synonym: "exposure to pesticide synergist" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:25943 ! has exposure stimulus pesticide synergist relationship: RO:0002309 CHEBI:25943 ! has exposure stimulus pesticide synergist [Term] id: ECTO:9002097 name: exposure to photosynthetic electron-transport chain inhibitor def: "An exposure to photosynthetic electron-transport chain inhibitor." [] synonym: "exposure to photosynthetic electron-transport chain inhibitor" EXACT [] is_a: ECTO:0000515 ! exposure to herbicide is_a: ECTO:0000557 ! exposure to inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26087 ! has exposure stimulus photosynthetic electron-transport chain inhibitor relationship: RO:0002309 CHEBI:26087 ! has exposure stimulus photosynthetic electron-transport chain inhibitor [Term] id: ECTO:9002098 name: exposure to photosystem-I inhibitor def: "An exposure to photosystem-I inhibitor." [] synonym: "exposure to photosystem-I inhibitor" EXACT [] is_a: ECTO:9002097 ! exposure to photosynthetic electron-transport chain inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26088 ! has exposure stimulus photosystem-I inhibitor relationship: RO:0002309 CHEBI:26088 ! has exposure stimulus photosystem-I inhibitor [Term] id: ECTO:9002099 name: exposure to photosystem-II inhibitor def: "An exposure to photosystem-II inhibitor." [] synonym: "exposure to photosystem-II inhibitor" EXACT [] is_a: ECTO:9002097 ! exposure to photosynthetic electron-transport chain inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26089 ! has exposure stimulus photosystem-II inhibitor relationship: RO:0002309 CHEBI:26089 ! has exposure stimulus photosystem-II inhibitor [Term] id: ECTO:9002100 name: exposure to precocenes def: "An exposure to precocenes." [] synonym: "exposure to precocenes" EXACT [] is_a: ECTO:9002094 ! exposure to juvenile hormone antagonists intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26220 ! has exposure stimulus precocenes relationship: RO:0002309 CHEBI:26220 ! has exposure stimulus precocenes [Term] id: ECTO:9002101 name: exposure to pyrethroid insecticide def: "An exposure to pyrethroid insecticide." [] synonym: "exposure to pyrethroid insecticide" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:26413 ! has exposure stimulus pyrethroid insecticide relationship: RO:0002309 CHEBI:26413 ! has exposure stimulus pyrethroid insecticide [Term] id: ECTO:9002102 name: exposure to molluscicide def: "An exposure to molluscicide." [] synonym: "exposure to molluscicide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33904 ! has exposure stimulus molluscicide relationship: RO:0002309 CHEBI:33904 ! has exposure stimulus molluscicide [Term] id: ECTO:9002103 name: exposure to acaricide drug def: "An exposure to acaricide drug." [] synonym: "exposure to acaricide drug" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide is_a: ECTO:9001712 ! exposure to antiparasitic agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36053 ! has exposure stimulus acaricide drug relationship: RO:0002309 CHEBI:36053 ! has exposure stimulus acaricide drug [Term] id: ECTO:9002104 name: exposure to ecdysone agonist def: "An exposure to ecdysone agonist." [] synonym: "exposure to ecdysone agonist" EXACT [] is_a: ECTO:9002093 ! exposure to insect growth regulator intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38456 ! has exposure stimulus ecdysone agonist relationship: RO:0002309 CHEBI:38456 ! has exposure stimulus ecdysone agonist [Term] id: ECTO:9002105 name: exposure to carbamate insecticide def: "An exposure to carbamate insecticide." [] synonym: "exposure to carbamate insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide is_a: ECTO:9001784 ! exposure to EC 3.1.1.7 (acetylcholinesterase) inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38461 ! has exposure stimulus carbamate insecticide relationship: RO:0002309 CHEBI:38461 ! has exposure stimulus carbamate insecticide [Term] id: ECTO:9002106 name: exposure to pyrethroid ester insecticide def: "An exposure to pyrethroid ester insecticide." [] synonym: "exposure to pyrethroid ester insecticide" EXACT [] is_a: ECTO:9002101 ! exposure to pyrethroid insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39116 ! has exposure stimulus pyrethroid ester insecticide relationship: RO:0002309 CHEBI:39116 ! has exposure stimulus pyrethroid ester insecticide [Term] id: ECTO:9002107 name: exposure to antibiotic insecticide def: "An exposure to antibiotic insecticide." [] synonym: "exposure to antibiotic insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide is_a: ECTO:9002108 ! exposure to antibiotic pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39208 ! has exposure stimulus antibiotic insecticide relationship: RO:0002309 CHEBI:39208 ! has exposure stimulus antibiotic insecticide [Term] id: ECTO:9002108 name: exposure to antibiotic pesticide def: "An exposure to antibiotic pesticide." [] synonym: "exposure to antibiotic pesticide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide is_a: ECTO:0000544 ! exposure to antimicrobial agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39215 ! has exposure stimulus antibiotic pesticide relationship: RO:0002309 CHEBI:39215 ! has exposure stimulus antibiotic pesticide [Term] id: ECTO:9002109 name: exposure to antibiotic acaricide def: "An exposure to antibiotic acaricide." [] synonym: "exposure to antibiotic acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide is_a: ECTO:9002108 ! exposure to antibiotic pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39216 ! has exposure stimulus antibiotic acaricide relationship: RO:0002309 CHEBI:39216 ! has exposure stimulus antibiotic acaricide [Term] id: ECTO:9002110 name: exposure to antibiotic nematicide def: "An exposure to antibiotic nematicide." [] synonym: "exposure to antibiotic nematicide" EXACT [] is_a: ECTO:9001674 ! exposure to nematicide is_a: ECTO:9002108 ! exposure to antibiotic pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39217 ! has exposure stimulus antibiotic nematicide relationship: RO:0002309 CHEBI:39217 ! has exposure stimulus antibiotic nematicide [Term] id: ECTO:9002111 name: exposure to pyrethroid ester acaricide def: "An exposure to pyrethroid ester acaricide." [] synonym: "exposure to pyrethroid ester acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39259 ! has exposure stimulus pyrethroid ester acaricide relationship: RO:0002309 CHEBI:39259 ! has exposure stimulus pyrethroid ester acaricide [Term] id: ECTO:9002112 name: exposure to fumigant def: "An exposure to fumigant." [] synonym: "exposure to fumigant" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39276 ! has exposure stimulus fumigant relationship: RO:0002309 CHEBI:39276 ! has exposure stimulus fumigant [Term] id: ECTO:9002113 name: exposure to fumigant insecticide def: "An exposure to fumigant insecticide." [] synonym: "exposure to fumigant insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide is_a: ECTO:9002112 ! exposure to fumigant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39277 ! has exposure stimulus fumigant insecticide relationship: RO:0002309 CHEBI:39277 ! has exposure stimulus fumigant insecticide [Term] id: ECTO:9002114 name: exposure to sulfite ester acaricide def: "An exposure to sulfite ester acaricide." [] synonym: "exposure to sulfite ester acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39301 ! has exposure stimulus sulfite ester acaricide relationship: RO:0002309 CHEBI:39301 ! has exposure stimulus sulfite ester acaricide [Term] id: ECTO:9002115 name: exposure to mite growth regulator def: "An exposure to mite growth regulator." [] synonym: "exposure to mite growth regulator" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39316 ! has exposure stimulus mite growth regulator relationship: RO:0002309 CHEBI:39316 ! has exposure stimulus mite growth regulator [Term] id: ECTO:9002116 name: exposure to tetrazine acaricide def: "An exposure to tetrazine acaricide." [] synonym: "exposure to tetrazine acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39318 ! has exposure stimulus tetrazine acaricide relationship: RO:0002309 CHEBI:39318 ! has exposure stimulus tetrazine acaricide [Term] id: ECTO:9002117 name: exposure to pyrethroid ether insecticide def: "An exposure to pyrethroid ether insecticide." [] synonym: "exposure to pyrethroid ether insecticide" EXACT [] is_a: ECTO:9002101 ! exposure to pyrethroid insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39351 ! has exposure stimulus pyrethroid ether insecticide relationship: RO:0002309 CHEBI:39351 ! has exposure stimulus pyrethroid ether insecticide [Term] id: ECTO:9002118 name: exposure to pyrethroid ether acaricide def: "An exposure to pyrethroid ether acaricide." [] synonym: "exposure to pyrethroid ether acaricide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39369 ! has exposure stimulus pyrethroid ether acaricide relationship: RO:0002309 CHEBI:39369 ! has exposure stimulus pyrethroid ether acaricide [Term] id: ECTO:9002119 name: exposure to homopteran inhibitor of chitin biosynthesis def: "An exposure to homopteran inhibitor of chitin biosynthesis." [] synonym: "exposure to homopteran inhibitor of chitin biosynthesis" EXACT [] is_a: ECTO:9002089 ! exposure to chitin synthesis inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39378 ! has exposure stimulus homopteran inhibitor of chitin biosynthesis relationship: RO:0002309 CHEBI:39378 ! has exposure stimulus homopteran inhibitor of chitin biosynthesis [Term] id: ECTO:9002120 name: exposure to lepidopteran inhibitor of chitin biosynthesis def: "An exposure to lepidopteran inhibitor of chitin biosynthesis." [] synonym: "exposure to lepidopteran inhibitor of chitin biosynthesis" EXACT [] is_a: ECTO:9002089 ! exposure to chitin synthesis inhibitor intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39379 ! has exposure stimulus lepidopteran inhibitor of chitin biosynthesis relationship: RO:0002309 CHEBI:39379 ! has exposure stimulus lepidopteran inhibitor of chitin biosynthesis [Term] id: ECTO:9002121 name: exposure to dinitrophenol insecticide def: "An exposure to dinitrophenol insecticide." [] synonym: "exposure to dinitrophenol insecticide" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39415 ! has exposure stimulus dinitrophenol insecticide relationship: RO:0002309 CHEBI:39415 ! has exposure stimulus dinitrophenol insecticide [Term] id: ECTO:9002122 name: exposure to antifouling biocide def: "An exposure to antifouling biocide." [] synonym: "exposure to antifouling biocide" EXACT [] is_a: ECTO:0000530 ! exposure to pesticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:51076 ! has exposure stimulus antifouling biocide relationship: RO:0002309 CHEBI:51076 ! has exposure stimulus antifouling biocide [Term] id: ECTO:9002123 name: exposure to insect sterilant def: "An exposure to insect sterilant." [] synonym: "exposure to insect sterilant" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide is_a: ECTO:9002088 ! exposure to chemosterilant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:67105 ! has exposure stimulus insect sterilant relationship: RO:0002309 CHEBI:67105 ! has exposure stimulus insect sterilant [Term] id: ECTO:9002124 name: exposure to insect repellent def: "An exposure to insect repellent." [] synonym: "exposure to insect repellent" EXACT [] is_a: ECTO:9000089 ! exposure to insecticide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:71692 ! has exposure stimulus insect repellent relationship: RO:0002309 CHEBI:71692 ! has exposure stimulus insect repellent [Term] id: ECTO:9002125 name: exposure to scabicide def: "An exposure to scabicide." [] synonym: "exposure to scabicide" EXACT [] is_a: ECTO:9001644 ! exposure to acaricide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:73333 ! has exposure stimulus scabicide relationship: RO:0002309 CHEBI:73333 ! has exposure stimulus scabicide [Term] id: ECTO:9002126 name: exposure to environmental food contaminant def: "An exposure to environmental food contaminant." [] synonym: "exposure to environmental food contaminant" EXACT [] is_a: ECTO:0000931 ! exposure to environmental contaminant is_a: ECTO:9002063 ! exposure to food component intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:78299 ! has exposure stimulus environmental food contaminant relationship: RO:0002309 CHEBI:78299 ! has exposure stimulus environmental food contaminant [Term] id: ECTO:9002127 name: exposure to sex hormone def: "An exposure to sex hormone." [] synonym: "exposure to sex hormone" EXACT [] is_a: ECTO:0000516 ! exposure to hormone intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50112 ! has exposure stimulus sex hormone relationship: RO:0002309 CHEBI:50112 ! has exposure stimulus sex hormone [Term] id: ECTO:9002128 name: exposure to mu-opioid receptor antagonist def: "An exposure to mu-opioid receptor antagonist." [] synonym: "exposure to mu-opioid receptor antagonist" EXACT [] is_a: ECTO:9001822 ! exposure to antagonist is_a: ECTO:9002129 ! exposure to neurotransmitter agent intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50137 ! has exposure stimulus mu-opioid receptor antagonist relationship: RO:0002309 CHEBI:50137 ! has exposure stimulus mu-opioid receptor antagonist [Term] id: ECTO:9002129 name: exposure to neurotransmitter agent def: "An exposure to neurotransmitter agent." [] synonym: "exposure to neurotransmitter agent" EXACT [] is_a: ECTO:0000485 ! exposure to chemical with biological effect is_a: ECTO:0000509 ! exposure to drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35942 ! has exposure stimulus neurotransmitter agent relationship: RO:0002309 CHEBI:35942 ! has exposure stimulus neurotransmitter agent [Term] id: ECTO:9002130 name: exposure to food preservative def: "An exposure to food preservative." [] synonym: "exposure to food preservative" EXACT [] is_a: ECTO:9001942 ! exposure to food additive intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:65255 ! has exposure stimulus food preservative relationship: RO:0002309 CHEBI:65255 ! has exposure stimulus food preservative [Term] id: ECTO:9002131 name: exposure to flame retardant def: "An exposure to flame retardant." [] synonym: "exposure to flame retardant" EXACT [] is_a: ECTO:0000486 ! exposure to chemical with application intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:79314 ! has exposure stimulus flame retardant relationship: RO:0002309 CHEBI:79314 ! has exposure stimulus flame retardant [Term] id: ECTO:9002132 name: exposure to methane def: "An exposure to methane." [] synonym: "exposure to methane" EXACT [] is_a: ECTO:9000426 ! exposure to alkane is_a: ECTO:9001628 ! exposure to gas molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16183 ! has exposure stimulus methane relationship: RO:0002309 CHEBI:16183 ! has exposure stimulus methane [Term] id: ECTO:9002133 name: exposure to protein def: "An exposure to protein." [] synonym: "exposure to protein" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:36080 ! has exposure stimulus protein relationship: RO:0002309 CHEBI:36080 ! has exposure stimulus protein [Term] id: ECTO:9002134 name: exposure to low-density lipoprotein def: "An exposure to low-density lipoprotein." [] synonym: "exposure to low-density lipoprotein" EXACT [] is_a: ECTO:9000303 ! exposure to lipoprotein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39026 ! has exposure stimulus low-density lipoprotein relationship: RO:0002309 CHEBI:39026 ! has exposure stimulus low-density lipoprotein [Term] id: ECTO:9002135 name: exposure to high-density lipoprotein def: "An exposure to high-density lipoprotein." [] synonym: "exposure to high-density lipoprotein" EXACT [] is_a: ECTO:9000303 ! exposure to lipoprotein intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:39025 ! has exposure stimulus high-density lipoprotein relationship: RO:0002309 CHEBI:39025 ! has exposure stimulus high-density lipoprotein [Term] id: ECTO:9002136 name: exposure to urea def: "An exposure to urea." [] synonym: "exposure to urea" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:16199 ! has exposure stimulus urea relationship: RO:0002309 CHEBI:16199 ! has exposure stimulus urea [Term] id: ECTO:9002137 name: exposure to anilofos def: "An exposure to Anilofos." [] synonym: "exposure to Anilofos" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:81728 ! has exposure stimulus Anilofos relationship: RO:0002309 CHEBI:81728 ! has exposure stimulus Anilofos [Term] id: ECTO:9002138 name: exposure to glyphosate def: "An exposure to glyphosate." [] synonym: "exposure to glyphosate" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9001227 ! exposure to phosphorus intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:27744 ! has exposure stimulus glyphosate relationship: RO:0002309 CHEBI:27744 ! has exposure stimulus glyphosate [Term] id: ECTO:9002139 name: exposure to nitrile def: "An exposure to nitrile." [] synonym: "exposure to nitrile" EXACT [] is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:18379 ! has exposure stimulus nitrile relationship: RO:0002309 CHEBI:18379 ! has exposure stimulus nitrile [Term] id: ECTO:9002140 name: obsolete waste material exposure is_obsolete: true replaced_by: ECTO:7000092 [Term] id: ECTO:9002141 name: exposure to neoprene def: "An exposure to poly(chloroprene) polymer." [] synonym: "exposure to poly(chloroprene) polymer" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:60505 ! has exposure stimulus poly(chloroprene) polymer relationship: RO:0002309 CHEBI:60505 ! has exposure stimulus poly(chloroprene) polymer [Term] id: ECTO:9002142 name: exposure to epoxy def: "An exposure to epoxy group." [] synonym: "exposure to epoxy group" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30721 ! has exposure stimulus epoxy group relationship: RO:0002309 CHEBI:30721 ! has exposure stimulus epoxy group [Term] id: ECTO:9002143 name: exposure to polymides def: "An exposure to polyimide polymer." [] synonym: "exposure to polyimide polymer" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:61484 ! has exposure stimulus polyimide polymer relationship: RO:0002309 CHEBI:61484 ! has exposure stimulus polyimide polymer [Term] id: ECTO:9002144 name: obsolete 1,1-Dichloroethane exposure is_obsolete: true replaced_by: ECTO:9000915 [Term] id: ECTO:9002145 name: obsolete tetrachloroethene exposure is_obsolete: true replaced_by: ECTO:9000074 [Term] id: ECTO:9002146 name: exposure to acids def: "An exposure to acid." [] synonym: "exposure to acid" EXACT [] is_a: ECTO:0000487 ! exposure to chemical with chemical role intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:37527 ! has exposure stimulus acid relationship: RO:0002309 CHEBI:37527 ! has exposure stimulus acid [Term] id: ECTO:9002147 name: exposure to chlorinated naphthalene def: "An exposure to chlorinated naphthalene." [] synonym: "exposure to chlorinated naphthalene" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0001152 ! exposure to organochlorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:156062 ! has exposure stimulus chlorinated naphthalene relationship: RO:0002309 CHEBI:156062 ! has exposure stimulus chlorinated naphthalene [Term] id: ECTO:9002148 name: exposure to polycyclic hydrocarbon def: "An exposure to polycyclic hydrocarbon." [] synonym: "exposure to polycyclic hydrocarbon" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:33666 ! has exposure stimulus polycyclic hydrocarbon relationship: RO:0002309 CHEBI:33666 ! has exposure stimulus polycyclic hydrocarbon [Term] id: ECTO:9002149 name: exposure to oral contraceptive def: "An exposure to oral contraceptive." [] synonym: "exposure to oral contraceptive" EXACT [] is_a: ECTO:9001831 ! exposure to contraceptive drug intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:49325 ! has exposure stimulus oral contraceptive relationship: RO:0002309 CHEBI:49325 ! has exposure stimulus oral contraceptive [Term] id: ECTO:9002150 name: exposure to poly(ethylene-co-vinyl acetate) def: "An exposure to poly(ethylene-co-vinyl acetate)." [] synonym: "exposure to poly(ethylene-co-vinyl acetate)" EXACT [] is_a: ECTO:9000106 ! exposure to polymer intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:166881 ! has exposure stimulus poly(ethylene-co-vinyl acetate) relationship: RO:0002309 CHEBI:166881 ! has exposure stimulus poly(ethylene-co-vinyl acetate) [Term] id: ECTO:9002151 name: exposure to niacin(b3) def: "An exposure to nicotinic acid." [] synonym: "exposure to nicotinic acid" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:9000271 ! exposure to alkaloid is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:15940 ! has exposure stimulus nicotinic acid relationship: RO:0002309 CHEBI:15940 ! has exposure stimulus nicotinic acid [Term] id: ECTO:9002152 name: exposure to pantothenic acid def: "An exposure to pantothenic acid." [] synonym: "exposure to pantothenic acid" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:7916 ! has exposure stimulus pantothenic acid relationship: RO:0002309 CHEBI:7916 ! has exposure stimulus pantothenic acid [Term] id: ECTO:9002153 name: exposure to isocyanates def: "An exposure to isocyanates." [] synonym: "exposure to isocyanates" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:53212 ! has exposure stimulus isocyanates relationship: RO:0002309 CHEBI:53212 ! has exposure stimulus isocyanates [Term] id: ECTO:9002154 name: exposure to hematite def: "An exposure to hematite." [] synonym: "exposure to hematite" EXACT [] is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000172 ! exposure to inorganic compound is_a: ECTO:9001456 ! exposure to ferric oxide intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:50818 ! has exposure stimulus hematite relationship: RO:0002309 CHEBI:50818 ! has exposure stimulus hematite [Term] id: ECTO:9002155 name: exposure to chlorobiphenyl def: "An exposure to chlorobiphenyl." [] synonym: "exposure to chlorobiphenyl" EXACT [] is_a: ECTO:0001152 ! exposure to organochlorine compound is_a: ECTO:9000056 ! exposure to biphenyls intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:35446 ! has exposure stimulus chlorobiphenyl relationship: RO:0002309 CHEBI:35446 ! has exposure stimulus chlorobiphenyl [Term] id: ECTO:9002156 name: exposure to glycol def: "An exposure to glycol." [] synonym: "exposure to glycol" EXACT [] is_a: ECTO:9000162 ! exposure to carbohydrate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:13643 ! has exposure stimulus glycol relationship: RO:0002309 CHEBI:13643 ! has exposure stimulus glycol [Term] id: ECTO:9002157 name: exposure to 1,2,5,6,9,10-hexabromocyclododecane def: "An exposure to 1,2,5,6,9,10-hexabromocyclododecane." [] synonym: "exposure to 1,2,5,6,9,10-hexabromocyclododecane" EXACT [] is_a: ECTO:9002162 ! exposure to brominated flame retardant intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:134063 ! has exposure stimulus 1,2,5,6,9,10-hexabromocyclododecane relationship: RO:0002309 CHEBI:134063 ! has exposure stimulus 1,2,5,6,9,10-hexabromocyclododecane [Term] id: ECTO:9002158 name: exposure to warfarin def: "An exposure to warfarin." [] synonym: "exposure to warfarin" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:10033 ! has exposure stimulus warfarin relationship: RO:0002309 CHEBI:10033 ! has exposure stimulus warfarin [Term] id: ECTO:9002159 name: exposure to polyfluoroalkyl substance def: "An exposure to polyfluoroalkyl substance." [] synonym: "exposure to polyfluoroalkyl substance" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:172406 ! has exposure stimulus polyfluoroalkyl substance relationship: RO:0002309 CHEBI:172406 ! has exposure stimulus polyfluoroalkyl substance [Term] id: ECTO:9002160 name: exposure to perfluoroalkyl substance def: "An exposure to perfluoroalkyl substance." [] synonym: "exposure to perfluoroalkyl substance" EXACT [] is_a: ECTO:9001620 ! exposure to perfluorinated compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:172397 ! has exposure stimulus perfluoroalkyl substance relationship: RO:0002309 CHEBI:172397 ! has exposure stimulus perfluoroalkyl substance [Term] id: ECTO:9002161 name: exposure to glycol ether def: "An exposure to glycol ether." [] synonym: "exposure to glycol ether" EXACT [] is_a: ECTO:9000026 ! exposure to alcohol is_a: ECTO:9000278 ! exposure to ether intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:172390 ! has exposure stimulus glycol ether relationship: RO:0002309 CHEBI:172390 ! has exposure stimulus glycol ether [Term] id: ECTO:9002162 name: exposure to brominated flame retardant def: "An exposure to brominated flame retardant." [] synonym: "exposure to brominated flame retardant" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:172368 ! has exposure stimulus brominated flame retardant relationship: RO:0002309 CHEBI:172368 ! has exposure stimulus brominated flame retardant [Term] id: ECTO:9002163 name: exposure to heavy metal def: "An exposure to heavy metal." [] synonym: "exposure to heavy metal" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:5631 ! has exposure stimulus heavy metal relationship: RO:0002309 CHEBI:5631 ! has exposure stimulus heavy metal [Term] id: ECTO:9002164 name: exposure to desflurane def: "An exposure to desflurane." [] synonym: "exposure to desflurane" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:4445 ! has exposure stimulus desflurane relationship: RO:0002309 CHEBI:4445 ! has exposure stimulus desflurane [Term] id: ECTO:9002165 name: exposure to sevoflurane def: "An exposure to sevoflurane." [] synonym: "exposure to sevoflurane" EXACT [] is_a: ECTO:9000278 ! exposure to ether is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:9130 ! has exposure stimulus sevoflurane relationship: RO:0002309 CHEBI:9130 ! has exposure stimulus sevoflurane [Term] id: ECTO:9002166 name: exposure to isoflurane def: "An exposure to isoflurane." [] synonym: "exposure to isoflurane" EXACT [] is_a: ECTO:9000533 ! exposure to organofluorine compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:6015 ! has exposure stimulus isoflurane relationship: RO:0002309 CHEBI:6015 ! has exposure stimulus isoflurane [Term] id: ECTO:9002168 name: exposure to aldehyde def: "An exposure to aldehyde." [] synonym: "exposure to aldehyde" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:17478 ! has exposure stimulus aldehyde relationship: RO:0002309 CHEBI:17478 ! has exposure stimulus aldehyde [Term] id: ECTO:9002169 name: exposure to vitamin B complex def: "An exposure to vitamin B complex." [] synonym: "exposure to vitamin B complex" EXACT [] is_a: ECTO:9002026 ! exposure to B vitamin intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:75782 ! has exposure stimulus vitamin B complex relationship: RO:0002309 CHEBI:75782 ! has exposure stimulus vitamin B complex [Term] id: ECTO:9002170 name: exposure to phosmet def: "An exposure to phosmet." [] synonym: "exposure to phosmet" EXACT [] is_a: ECTO:0000163 ! exposure to organic cyclic compound is_a: ECTO:0000371 ! exposure to oxygen molecular entity is_a: ECTO:9000190 ! exposure to organonitrogen compound is_a: ECTO:9000284 ! exposure to organophosphorus compound is_a: ECTO:9001345 ! exposure to phosphate intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:38786 ! has exposure stimulus phosmet relationship: RO:0002309 CHEBI:38786 ! has exposure stimulus phosmet [Term] id: ECTO:9002171 name: exposure to carbon black def: "An exposure to carbon black." [] synonym: "exposure to carbon black" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:82297 ! has exposure stimulus carbon black relationship: RO:0002309 CHEBI:82297 ! has exposure stimulus carbon black [Term] id: ECTO:9002172 name: exposure to 2-nitrofluorene def: "An exposure to 2-nitrofluorene." [] synonym: "exposure to 2-nitrofluorene" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound is_a: ECTO:9000404 ! exposure to nitrogen intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:1224 ! has exposure stimulus 2-nitrofluorene relationship: RO:0002309 CHEBI:1224 ! has exposure stimulus 2-nitrofluorene [Term] id: ECTO:9002173 name: exposure to caesium atom def: "An exposure to caesium atom." [] synonym: "exposure to caesium atom" EXACT [] is_a: ECTO:0000231 ! exposure to chemical intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:30514 ! has exposure stimulus caesium atom relationship: RO:0002309 CHEBI:30514 ! has exposure stimulus caesium atom [Term] id: ECTO:9002174 name: exposure to urea herbicide def: "An exposure to urea herbicide." [] synonym: "exposure to urea herbicide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:188147 ! has exposure stimulus urea herbicide relationship: RO:0002309 CHEBI:188147 ! has exposure stimulus urea herbicide [Term] id: ECTO:9002175 name: exposure to organophosphorus herbicide def: "An exposure to organophosphorus herbicide." [] synonym: "exposure to organophosphorus herbicide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:188148 ! has exposure stimulus organophosphorus herbicide relationship: RO:0002309 CHEBI:188148 ! has exposure stimulus organophosphorus herbicide [Term] id: ECTO:9002176 name: exposure to nitrile herbicide def: "An exposure to nitrile herbicide." [] synonym: "exposure to nitrile herbicide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:188149 ! has exposure stimulus nitrile herbicide relationship: RO:0002309 CHEBI:188149 ! has exposure stimulus nitrile herbicide [Term] id: ECTO:9002177 name: exposure to anticoagulant rodenticide def: "An exposure to anticoagulant rodenticide." [] synonym: "exposure to anticoagulant rodenticide" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:188151 ! has exposure stimulus anticoagulant rodenticide relationship: RO:0002309 CHEBI:188151 ! has exposure stimulus anticoagulant rodenticide [Term] id: ECTO:9002178 name: exposure to butylparaben def: "An exposure to Butylparaben." [] synonym: "exposure to Butylparaben" EXACT [] is_a: ECTO:0000135 ! exposure to organic compound intersection_of: ExO:0000002 ! exposure event intersection_of: RO:0002309 CHEBI:88542 ! has exposure stimulus Butylparaben relationship: RO:0002309 CHEBI:88542 ! has exposure stimulus Butylparaben [Term] id: ENVO:00000000 name: geographic feature def: "An astrononmical body part which delimited by physical discontinuities with its surroundings." [] comment: This class is being depopulated and will be filled only with inferred subclasses. Please do not use this for direct annotation, favouring instead a more descriptive subclass. subset: envoPolar synonym: "macroscopic spatial feature" EXACT [] xref: https://en.wikipedia.org/wiki/Geographic_feature is_a: ENVO:01000813 ! astronomical body part property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000002 name: anthropogenic geographic feature def: "An anthropogenic geographic feature is a geographic feature resulting from the influence of human beings on nature." [ORCID:0000-0002-4366-3088] synonym: "man-made feature" RELATED [] synonym: "manmade feature" RELATED [] xref: FTT:78 xref: TGN:50001 is_a: ENVO:00000000 ! geographic feature intersection_of: ENVO:00000000 ! geographic feature intersection_of: formed_as_result_of ENVO:01000952 ! anthropisation relationship: formed_as_result_of ENVO:01000952 ! anthropisation property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000003 name: mine tailing def: "Mine tailings are the materials left over after the process of separating the valuable fraction from the uneconomic fraction (gangue) of an ore." [https://en.wikipedia.org/wiki/Tailings] synonym: "tailing" BROAD [ADL:FTT] xref: FTT:625 xref: FTT:631 is_a: ENVO:0010001 ! anthropogenic environmental material [Term] id: ENVO:00000010 name: transport feature def: "A construction which enables the movement of humans, their animals or their vehicles." [MA:ma] xref: FTT:83 is_a: ENVO:00000070 ! human construction relationship: participates_in ENVO:01001444 ! usage of an environment for transportation [Term] id: ENVO:00000011 name: garden namespace: ENVO def: "An enclosure for displaying selected plant or animal life." [Geonames:feature] synonym: "cropland" RELATED [USGS:SDTS] synonym: "PARK" RELATED [USGS:SDTS] synonym: "park" RELATED [ADL:FTT] xref: FTT:31 xref: FTT:743 xref: Geonames:S.GDN xref: https://en.wikipedia.org/wiki/Garden xref: TGN:53010 is_a: ENVO:00000002 ! anthropogenic geographic feature property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000012 name: hydrographic feature def: "A geographical feature associated with water." [MA:ma] subset: envoPolar synonym: "fluvial feature" RELATED [ADL:FTT] xref: FTT:131 xref: FTT:280 xref: FTT:711 xref: FTT:761 xref: FTT:824 xref: FTT:825 xref: FTT:826 xref: FTT:827 xref: FTT:828 xref: FTT:829 xref: Geonames:H.OVF is_a: ENVO:00000000 ! geographic feature [Term] id: ENVO:00000015 name: ocean alt_id: LTER:695 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=695&/oceans"} def: "A marine water body which is constitutes the majority of an astronomical body's hydrosphere." [] subset: envoMarine subset: envoPolar synonym: "ocean region" RELATED [ADL:FTT] xref: EcoLexicon:ocean xref: FTT:1019 xref: FTT:943 xref: Geonames:H.OCN xref: https://en.wikipedia.org/wiki/Ocean xref: SWEETRealm:Ocean xref: TGN:21102 is_a: ENVO:00001999 ! marine water body is_a: ENVO:01001319 ! saline water body relationship: RO:0002473 ENVO:00002149 ! composed primarily of sea water [Term] id: ENVO:00000016 name: sea def: "A large expanse of saline water usually connected with an ocean." [https://en.wikipedia.org/wiki/Sea] subset: envoMarine subset: envoPolar synonym: "channel" NARROW [] synonym: "closed sea" NARROW [USGS:SDTS] synonym: "marginal sea" NARROW [USGS:SDTS] synonym: "open sea" NARROW [USGS:SDTS] synonym: "open sound" NARROW [USGS:SDTS] synonym: "open water" NARROW [USGS:SDTS] xref: EcoLexicon:sea xref: FTT:233 xref: FTT:830 xref: Geonames:H.SEA xref: https://en.wikipedia.org/wiki/Sea xref: TGN:21103 is_a: ENVO:00001999 ! marine water body is_a: ENVO:01001319 ! saline water body relationship: RO:0002473 ENVO:00002149 ! composed primarily of sea water [Term] id: ENVO:00000017 name: saline hydrographic feature namespace: ENVO def: "A geographical feature associated with water with a halinity above 30 ppt (roughly 35 g/L)." [https://en.wikipedia.org/wiki/Salinity] is_a: ENVO:00000012 ! hydrographic feature [Term] id: ENVO:00000019 name: saline lake def: "A lake whose water contains a considerable concentration of dissolved salts." [MA:ma] synonym: "salina" RELATED [USGS:SDTS] synonym: "salt lake" EXACT [USGS:SDTS] synonym: "soda lake" RELATED [] xref: FTT:221 xref: FTT:907 xref: Geonames:H.LKN xref: Geonames:H.LKSN xref: https://en.wikipedia.org/wiki/Saline_lake xref: TGN:21116 is_a: ENVO:00000020 ! lake is_a: ENVO:01001319 ! saline water body intersection_of: ENVO:00000020 ! lake intersection_of: RO:0002473 ENVO:00002010 ! composed primarily of saline water [Term] id: ENVO:00000020 name: lake alt_id: LTER:278 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=278&/lakes"} def: "A body of water or other liquid of considerable size contained in a depression on a landmass." [https://en.wikipedia.org/wiki/Lake] subset: envoPolar synonym: "broad" RELATED [] synonym: "catch basin" NARROW [USGS:SDTS] synonym: "llyn" RELATED [] synonym: "loch" RELATED [] synonym: "lochan" RELATED [ADL:FTT] synonym: "lough" RELATED [] synonym: "mere" RELATED [] synonym: "mortlake" RELATED [USGS:SDTS] synonym: "open water" NARROW [USGS:SDTS] synonym: "pasteuer lake" RELATED [USGS:SDTS] synonym: "tarn" NARROW [ADL:FTT] xref: EcoLexicon:lake xref: FTT:221 xref: FTT:704 xref: FTT:909 xref: Geonames:H.LK xref: Geonames:H.LKS xref: SPIRE:Lake_or_pond xref: SWEETRealm:Lake xref: TGN:21114 xref: TGN:21115 is_a: ENVO:01000617 ! lentic water body relationship: ENVO:01001307 ENVO:01000635 ! partially_surrounded_by planetary landmass [Term] id: ENVO:00000022 name: river alt_id: LTER:474 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=474&/rivers"} def: "A stream which, through permanent or seasonal flow processes, moves from elevated land towards lower elevations through a definite channel and empties either into a sea, lake, or another river or ends on land as bed seepage and evapotranspiration exceed water supply." [ADL:FTT, https://orcid.org/0000-0002-4366-3088] {comment="https://en.wikipedia.org/wiki/River"} comment: "There are no official definitions for the generic term river as applied to geographic features, although in some countries or communities a stream is defined by its size. Many names for small rivers are specific to geographic location; examples are "run" in some parts of the United States, "burn" in Scotland and northeast England, and "beck" in northern England. Sometimes a river is defined as being larger than a creek, but not always: the language is vague." {comment="https://en.wikipedia.org/wiki/River"} synonym: "braided river" NARROW [USGS:SDTS] synonym: "rio" EXACT [USGS:SDTS] synonym: "rio" EXACT [ADL:FTT] xref: EcoLexicon:river xref: FTT:1179 xref: FTT:251 xref: SPIRE:River xref: SWEETRealm:River xref: TGN:21105 is_a: ENVO:00000023 ! stream relationship: RO:0002150 ENVO:01000652 ! continuous with river channel relationship: RO:0002220 ENVO:00000143 ! adjacent to river bank [Term] id: ENVO:00000023 name: stream alt_id: LTER:562 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=562&/streams"} def: "A watercourse which is linear and flows across the solid portion of a planetary surface." [USGS:http\://mapping.usgs.gov/www/ti/GNIS/gnis_users_guide_appendixc.html] synonym: "beck" RELATED [USGS:SDTS] synonym: "braided stream" NARROW [USGS:SDTS] synonym: "brook" RELATED [ADL:FTT] synonym: "brook" RELATED [Getty:TGN] synonym: "burn (hydrographic)" RELATED [ADL:FTT] synonym: "Creek" RELATED [NASA:earthrealm] synonym: "creek" RELATED [Getty:TGN] synonym: "creek" RELATED [USGS:SDTS] synonym: "creek" RELATED [ADL:FTT] synonym: "fork (hydrographic" NARROW [ADL:FTT] synonym: "lode" NARROW [USGS:SDTS] synonym: "millstream" NARROW [] synonym: "rivulet" RELATED [USGS:SDTS] synonym: "stream bend" NARROW [ADL:FTT] synonym: "streamlet" NARROW [] synonym: "streams" EXACT [Geonames:feature] synonym: "watercourse" BROAD [ADL:FTT] synonym: "watercourse" BROAD [USGS:SDTS] xref: EcoLexicon:stream xref: FTT:105 xref: FTT:1221 xref: FTT:1225 xref: FTT:1261 xref: FTT:303 xref: FTT:371 xref: FTT:593 xref: FTT:721 xref: Geonames:H.STM xref: Geonames:H.STMS xref: https://en.wikipedia.org/wiki/Stream xref: SWEETRealm:Stream xref: TGN:21106 xref: TGN:21107 xref: TGN:21108 xref: TGN:21109 is_a: ENVO:00000029 ! watercourse relationship: has_quality PATO:0001199 ! linear relationship: RO:0002150 ENVO:01000650 ! continuous with stream channel created_by: https://orcid.org/0000-0002-9578-0788 [Term] id: ENVO:00000029 name: watercourse def: "A flowing body of water." [https://en.wikipedia.org/wiki/Watercourse] synonym: "awawa" RELATED [USGS:SDTS] synonym: "barranca" RELATED [USGS:SDTS] synonym: "beck" RELATED [USGS:SDTS] synonym: "branch" RELATED [USGS:SDTS] synonym: "brook" RELATED [USGS:SDTS] synonym: "course" RELATED [USGS:SDTS] synonym: "culvert" NARROW [USGS:SDTS] synonym: "draw" RELATED [USGS:SDTS] synonym: "dredged channel" NARROW [USGS:SDTS] synonym: "fork" NARROW [USGS:SDTS] synonym: "gulch" NARROW [USGS:SDTS] synonym: "gully" NARROW [USGS:SDTS] synonym: "gut" NARROW [USGS:SDTS] synonym: "gut" NARROW [Getty:TGN] synonym: "gutter" NARROW [USGS:SDTS] synonym: "kill" NARROW [USGS:SDTS] synonym: "lode" NARROW [USGS:SDTS] synonym: "moat" RELATED [USGS:SDTS] synonym: "narrows" NARROW [USGS:SDTS] synonym: "narrows" NARROW [Geonames:feature] synonym: "narrows" RELATED [Getty:TGN] synonym: "narrows (hydrographic)" RELATED [ADL:FTT] synonym: "overflow channel" NARROW [USGS:SDTS] synonym: "passage" NARROW [USGS:SDTS] synonym: "passage" NARROW [Getty:TGN] synonym: "pup" NARROW [USGS:SDTS] synonym: "race" NARROW [USGS:SDTS] synonym: "ravine" NARROW [USGS:SDTS] synonym: "reach" NARROW [Getty:TGN] synonym: "reach" NARROW [USGS:SDTS] synonym: "reach" NARROW [Geonames:feature] synonym: "rill" NARROW [USGS:SDTS] synonym: "rivulet" NARROW [USGS:SDTS] synonym: "run" NARROW [Getty:TGN] synonym: "run" NARROW [USGS:SDTS] synonym: "runnel" NARROW [USGS:SDTS] synonym: "seachannel" NARROW [USGS:SDTS] synonym: "seaway" NARROW [USGS:SDTS] synonym: "spillway" NARROW [Geonames:feature] synonym: "spillway" NARROW [USGS:SDTS] synonym: "stream" NARROW [ADL:FTT] synonym: "tideway" NARROW [USGS:SDTS] synonym: "wash" NARROW [USGS:SDTS] synonym: "water gap" NARROW [USGS:SDTS] xref: EcoLexicon:brook xref: EcoLexicon:course xref: EcoLexicon:culvert xref: EcoLexicon:gully xref: EcoLexicon:ravine xref: EcoLexicon:spillway xref: EcoLexicon:waterway xref: FTT:105 xref: Geonames:H.NRWS xref: Geonames:H.RCH xref: Geonames:H.WTRC xref: Geonames:S.SPLY xref: https://en.wikipedia.org/wiki/Watercourse xref: TGN:21110 xref: TGN:21131 xref: TGN:21133 xref: TGN:21137 xref: TGN:21163 xref: TGN:21499 is_a: ENVO:01000618 ! lotic water body relationship: RO:0002150 ENVO:00000395 ! continuous with channel of a watercourse [Term] id: ENVO:00000033 name: pond alt_id: LTER:975 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=975&/ponds"} def: "A body of water, usually of smaller size than a lake." [MA:ma] synonym: "lake" BROAD [ADL:FTT] synonym: "lake" BROAD [USGS:SDTS] synonym: "millpond" RELATED [ADL:FTT] synonym: "millpond" RELATED [USGS:SDTS] synonym: "Pond" EXACT [NASA:earthrealm] synonym: "pond" RELATED [Geonames:feature] synonym: "pond" RELATED [ADL:FTT] synonym: "ponds" RELATED [Geonames:feature] synonym: "POOL" RELATED [Getty:TGN] synonym: "pool" RELATED [USGS:SDTS] synonym: "pool" RELATED [Geonames:feature] synonym: "pool (water body)" NARROW [ADL:FTT] synonym: "pool (water body)" RELATED [USGS:SDTS] xref: EcoLexicon:pond xref: FTT:221 xref: FTT:902 xref: FTT:904 xref: FTT:905 xref: Geonames:H.PND xref: Geonames:H.PNDS xref: Geonames:H.POOL xref: https://en.wikipedia.org/wiki/Pond xref: SPIRE:Lake_or_pond xref: SWEETRealm:Pond xref: TGN:21104 xref: TGN:21119 is_a: ENVO:01000617 ! lentic water body [Term] id: ENVO:00000062 name: populated place namespace: ENVO def: "Place or area with clustered or scattered buildings and a permanent human population." [USGS:http\://mapping.usgs.gov/www/ti/GNIS/gnis_users_guide_appendixc.html] synonym: "inhabited region" RELATED [] synonym: "place" BROAD [USGS:SDTS] synonym: "populated locality" RELATED [] synonym: "populated places" EXACT [Geonames:feature] synonym: "settlement" EXACT [USGS:SDTS] xref: FTT:1097 xref: FTT:33 xref: Geonames:P.PPL xref: Geonames:P.PPLS xref: https://en.wikipedia.org/wiki/Populated_place xref: TGN:22201 xref: TGN:83002 is_a: ENVO:01000408 ! environmental zone [Term] id: ENVO:00000063 name: water body def: "An accumulation of water of varying size." [https://en.wikipedia.org/wiki/Body_of_water] comment: https://en.wikipedia.org/wiki/ The term body of water most often refers to large accumulations of water, such as oceans, seas, and lakes, but it includes smaller pools of water such as ponds, wetlands, or more rarely, puddles. A body of water does not have to be still or contained; Rivers, streams, canals, and other geographical features where water moves from one place to another are also considered bodies of water. synonym: "aquatic feature" EXACT [] synonym: "bodies of water" EXACT [Getty:TGN] synonym: "body of water" EXACT [ADL:FTT] synonym: "body of water" EXACT [Getty:TGN] synonym: "hydrographic feature" BROAD [ADL:FTT] synonym: "waterbody" EXACT [] xref: EcoLexicon:waterbody xref: FTT:131 xref: FTT:280 xref: FTT:827 xref: https://en.wikipedia.org/wiki/Water_body xref: SWEETRealm:BodyOfWater xref: TGN:21100 xref: TGN:21101 is_a: ENVO:01000685 ! water mass relationship: part_of ENVO:01000819 ! hydrosphere relationship: RO:0002473 CHEBI:15377 ! composed primarily of water [Term] id: ENVO:00000070 name: human construction def: "A construction that has been assembled by deliberate human effort." [MA:ma] synonym: "constructed feature" EXACT [] is_a: ENVO:01001813 ! construction intersection_of: BFO:0000040 ! material entity intersection_of: output_of ENVO:01000996 ! human-directed construction process relationship: output_of ENVO:01000996 ! human-directed construction process relationship: part_of ENVO:01000983 ! technosphere property_value: IAO:0000116 "\"constructed\" should probably be made something like a quality and this class obsoleted or filled only by inference" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000073 name: building def: "A permanent walled and roofed construction." [USGS:SDTS] xref: FTT:42 xref: Geonames:S.BLDG xref: https://en.wikipedia.org/wiki/Building xref: LTER:76 xref: TGN:51011 is_a: ENVO:00000070 ! human construction relationship: has_part ENVO:01000420 ! building part property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000076 name: mine def: "An excavation in the Earth for the purpose of extracting earth materials." [https://en.wikipedia.org/wiki/Mine, USGS:SDTS] xref: EcoLexicon:mine xref: FTT:14 xref: FTT:968 xref: Geonames:L.MNA xref: Geonames:S.MN xref: TGN:54211 xref: TGN:54212 is_a: ENVO:00000070 ! human construction relationship: participates_in ENVO:01001437 ! mining [Term] id: ENVO:00000077 name: agricultural ecosystem comment: As with other classes that are "features", the subclasses of this class are being moved to more informative locations. Their relation to agriculture will be modelled by something more akin to a quality or relation to an agricultural process. synonym: "agricultural colony" RELATED [Geonames:feature] synonym: "agricultural facility" RELATED [ADL:FTT] synonym: "agricultural land" RELATED [Getty:TGN] synonym: "agricultural reserve" RELATED [ADL:FTT] synonym: "agricultural reserve" RELATED [Geonames:feature] synonym: "agricultural site" RELATED [ADL:FTT] synonym: "AgriculturalLands" RELATED [NASA:earthrealm] synonym: "barn" NARROW [ADL:FTT] synonym: "cattle dipping tank" NARROW [ADL:FTT] synonym: "corral" NARROW [ADL:FTT] synonym: "dairy" NARROW [ADL:FTT] synonym: "feedlot" NARROW [ADL:FTT] synonym: "grange" NARROW [ADL:FTT] synonym: "grazing allotment" NARROW [ADL:FTT] synonym: "irrigated field" NARROW [ADL:FTT] synonym: "nursery" NARROW [ADL:FTT] synonym: "nursery" NARROW [Geonames:feature] synonym: "pastoral site" NARROW [ADL:FTT] synonym: "sheepfold" NARROW [ADL:FTT] synonym: "stockyard" NARROW [ADL:FTT] xref: FTT:1246 xref: FTT:1247 xref: FTT:44 xref: FTT:45 xref: FTT:46 xref: FTT:48 xref: FTT:50 xref: FTT:51 xref: FTT:52 xref: FTT:57 xref: FTT:60 xref: FTT:62 xref: FTT:63 xref: FTT:64 xref: FTT:72 xref: FTT:74 xref: Geonames:L.AGRC xref: Geonames:L.RESA xref: Geonames:S.NSY xref: TGN:55001 is_a: ENVO:01001110 ! ecosystem property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000078 name: farm def: "An area of land which is used for the cultivation of crops or grazing of livestock, including any agricultural constructions therein." [USGS:SDTS] synonym: "agricultural site" BROAD [ADL:FTT] synonym: "FARM" EXACT [USGS:SDTS] synonym: "farm" RELATED [Geonames:feature] synonym: "farms" RELATED [Geonames:feature] synonym: "farmstead" RELATED [ADL:FTT] synonym: "ranch" RELATED [Geonames:feature] synonym: "ranch" RELATED [Getty:TGN] synonym: "ranch" RELATED [USGS:SDTS] xref: FTT:45 xref: FTT:58 xref: FTT:59 xref: FTT:69 xref: Geonames:S.FRM xref: Geonames:S.FRMS xref: Geonames:S.RNCH xref: https://en.wikipedia.org/wiki/Farm xref: TGN:54011 is_a: ENVO:00000077 ! agricultural ecosystem property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00000086 name: plain def: "A region of general uniform slope, comparatively level, and of considerable extent." [USGS:SDTS] synonym: "interfluve" RELATED [ADL:FTT] synonym: "llanos" RELATED [ADL:FTT] synonym: "outwash plain" RELATED [USGS:SDTS] xref: EcoLexicon:plain xref: FTT:707 xref: FTT:874 xref: FTT:926 xref: Geonames:T.PLN xref: https://en.wikipedia.org/wiki/Plain xref: SWEETRealm:Plain xref: TGN:21461 is_a: ENVO:01001884 ! surface landform relationship: has_quality PATO:0000407 ! flat [Term] id: ENVO:00000094 name: volcanic feature def: "A part of an astronomical body associated with a volcano - an opening, or rupture, in that body's surface or crust - which allows hot, molten rock, ash and gases to escape from deep below the surface." [https://en.wikipedia.org/wiki/Volcano] synonym: "volcanic landform" RELATED [Getty:TGN] xref: FTT:591 xref: TGN:21407 is_a: ENVO:01001884 ! surface landform intersection_of: ENVO:01001884 ! surface landform intersection_of: formed_as_result_of ENVO:01000634 ! volcanic eruption relationship: formed_as_result_of ENVO:01000634 ! volcanic eruption [Term] id: ENVO:00000097 name: desert area def: "A region rendered barren or partially barren by environmental extremes, especially by low rainfall." [USGS:SDTS] subset: envoPolar synonym: "arid region" RELATED [ADL:FTT] xref: EcoLexicon:desert xref: FTT:1 xref: FTT:188 xref: Geonames:T.DSRT xref: https://en.wikipedia.org/wiki/Desert xref: LTER:147 xref: SWEETRealm:Desert xref: TGN:21201 is_a: ENVO:01000752 ! area of barren land intersection_of: ENVO:01000752 ! area of barren land intersection_of: has_quality ENVO:01000230 ! arid relationship: has_quality ENVO:01000230 ! arid [Term] id: ENVO:00000100 name: valley def: "A depression which has been formed as a result of erosion by water or ice and which is low-lying, bordered by higher ground, and especially elongate." [ADL:FTT, https://en.wikipedia.org/wiki/Valley] comment: Valleys are typically located between hills our mountains. synonym: "chasm" NARROW [USGS:SDTS] synonym: "coulee" NARROW [USGS:SDTS] synonym: "dale" NARROW [USGS:SDTS] synonym: "glacial gorge" NARROW [USGS:SDTS] synonym: "glacial trough" NARROW [USGS:SDTS] synonym: "glen" RELATED [ADL:FTT] synonym: "glen" RELATED [USGS:SDTS] synonym: "goe" RELATED [USGS:SDTS] synonym: "gorge" RELATED [USGS:SDTS] synonym: "gorge" RELATED [Geonames:feature] synonym: "graben" RELATED [USGS:SDTS] synonym: "gulch" NARROW [USGS:SDTS] synonym: "gully" NARROW [USGS:SDTS] synonym: "gully" NARROW [Getty:TGN] synonym: "hollow" RELATED [Getty:TGN] synonym: "hollow" RELATED [ADL:FTT] synonym: "hollow" RELATED [USGS:SDTS] synonym: "lavaka" RELATED [] synonym: "median valley" NARROW [Geonames:feature] synonym: "median valley" NARROW [ADL:FTT] synonym: "moat" RELATED [USGS:SDTS] synonym: "ravine" RELATED [USGS:SDTS] synonym: "re-entrant" RELATED [USGS:SDTS] synonym: "seachannel" RELATED [USGS:SDTS] synonym: "shelf valley" NARROW [Geonames:feature] synonym: "strath" RELATED [USGS:SDTS] synonym: "trench" RELATED [USGS:SDTS] synonym: "vale" RELATED [] synonym: "water gap" RELATED [USGS:SDTS] xref: EcoLexicon:valley xref: FTT:158 xref: FTT:166 xref: FTT:418 xref: FTT:761 xref: FTT:811 xref: FTT:949 xref: Geonames:T.GRGE xref: Geonames:T.VAL xref: Geonames:T.VALS xref: SWEETRealm:Valley xref: TGN:21425 xref: TGN:21451 xref: TGN:21452 xref: TGN:21453 is_a: ENVO:03000015 ! geographic basin relationship: formed_as_result_of ENVO:02500028 ! planetary erosion relationship: has_quality PATO:0001154 ! elongated [Term] id: ENVO:00000106 name: grassland area def: "An area in which grasses (Graminae) are a significant component of the vegetation." [https://en.wikipedia.org/wiki/Grassland] synonym: "grazing area" RELATED [Getty:TGN] synonym: "herbaceous area" RELATED [USGS:SDTS] is_a: ENVO:01001305 ! vegetated area relationship: overlaps ENVO:01001206 ! grassland ecosystem [Term] id: ENVO:00000109 name: woodland area def: "Land having a cover of trees, shrubs, or both." [USGS:SDTS] synonym: "brigalow" NARROW [USGS:SDTS] synonym: "caatinga" RELATED [USGS:SDTS] synonym: "chanaral" RELATED [USGS:SDTS] synonym: "coniferous forest" RELATED [USGS:SDTS] synonym: "copse" RELATED [USGS:SDTS] synonym: "deciduous forest" RELATED [USGS:SDTS] synonym: "equatorial forest" RELATED [USGS:SDTS] synonym: "equatorial rain forest" RELATED [USGS:SDTS] synonym: "garique" RELATED [USGS:SDTS] synonym: "grove" RELATED [USGS:SDTS] synonym: "grove" RELATED [ADL:FTT] synonym: "jungle" RELATED [Getty:TGN] synonym: "jungle" RELATED [USGS:SDTS] synonym: "mallee scrub" RELATED [USGS:SDTS] synonym: "monsoon forest" RELATED [USGS:SDTS] synonym: "moor" RELATED [USGS:SDTS] synonym: "mott" RELATED [] synonym: "motte" RELATED [USGS:SDTS] synonym: "mulga" RELATED [USGS:SDTS] synonym: "mulga scrub" RELATED [USGS:SDTS] synonym: "pine grove" NARROW [Geonames:feature] synonym: "rain forest" RELATED [Getty:TGN] synonym: "rain forest" RELATED [ADL:FTT] synonym: "reforested area" RELATED [USGS:SDTS] synonym: "sagebrush" RELATED [USGS:SDTS] synonym: "scrub" RELATED [USGS:SDTS] synonym: "shrub" RELATED [USGS:SDTS] synonym: "silva" RELATED [USGS:SDTS] synonym: "stand" RELATED [USGS:SDTS] synonym: "taiga" RELATED [USGS:SDTS] synonym: "thicket" RELATED [USGS:SDTS] synonym: "thorn forest" RELATED [USGS:SDTS] synonym: "tropical rain forest" RELATED [USGS:SDTS] synonym: "wood" RELATED [Getty:TGN] synonym: "wood" RELATED [USGS:SDTS] synonym: "wood" RELATED [ADL:FTT] synonym: "wooded area" RELATED [USGS:SDTS] xref: FTT:1083 xref: FTT:505 xref: FTT:506 xref: FTT:719 xref: FTT:774 xref: Geonames:V.GRVPN xref: https://en.wikipedia.org/wiki/Woodland xref: LTER:503 xref: SWEETRealm:Break xref: SWEETRealm:Scrub xref: TGN:21631 xref: TGN:21632 xref: TGN:21641 is_a: ENVO:01001305 ! vegetated area [Term] id: ENVO:00000111 name: forested area def: "An area with a high density of trees. A small forest may be called a wood." [https://en.wikipedia.org/wiki/Forest] comment: The definitions of forest can vary greatly, and different classes will be needed to support the major categories. Tree cover alone is not enough to distinguish between forests and plantations. The international definition proposed by the 2010 FAO Forestry Resource Assessment: "land spanning more than 0.5 ha with trees higher than 5 metres and canopy cover of more than 10 percent, or trees able to reach these thresholds in situ . It does not include land that is predominantly under agricultural or urban land use." - FAO. 2010. Global forest resources assessment 2010, Main report, FAO Forestry Paper 163. Rome. synonym: "forest" RELATED [Geonames:feature] synonym: "wood" RELATED [Getty:TGN] xref: EcoLexicon:forest xref: FTT:258 xref: FTT:506 xref: FTT:715 xref: FTT:717 xref: Geonames:V.FRST xref: https://en.wikipedia.org/wiki/Forest xref: LTER:2 xref: SWEETRealm:Forest xref: TGN:21641 xref: TGN:21642 xref: TGN:21645 is_a: ENVO:00000109 ! woodland area is_a: ENVO:01001293 ! bush area intersection_of: ENVO:00000109 ! woodland area intersection_of: overlaps ENVO:01001243 ! forest ecosystem relationship: overlaps ENVO:01001243 ! forest ecosystem [Term] id: ENVO:00000114 name: agricultural field def: "A field which is located on land and used for agricultural purposes, such as the grazing of livestock or the cultivation of crops." [https://en.wikipedia.org/wiki/Field_%28agriculture%29] synonym: "agricultural site" BROAD [ADL:FTT] synonym: "cropland" RELATED [USGS:SDTS] synonym: "grassland" RELATED [USGS:SDTS] xref: EcoLexicon:field xref: FTT:45 xref: FTT:61 xref: Geonames:L.FLD xref: SWEETRealm:Field xref: TGN:21456 is_a: ENVO:01000352 ! field [Term] id: ENVO:00000128 name: dry valley def: "A valley which no longer has water flowing or accumulating over its surface." [https://en.wikipedia.org/wiki/Dry_valley] comment: Typically found in either Karst (limestone) or chalk terrain. xref: https://en.wikipedia.org/wiki/Dry_valley is_a: ENVO:00000100 ! valley intersection_of: ENVO:00000100 ! valley intersection_of: has_quality PATO:0001824 ! dry relationship: has_quality PATO:0001824 ! dry [Term] id: ENVO:00000129 name: stream valley namespace: ENVO def: "A valley that contains, and has been formed by, a stream." [MA:ma] synonym: "gullie" RELATED [] synonym: "ravine" RELATED [Geonames:feature] synonym: "ravine" RELATED [USGS:SDTS] xref: EcoLexicon:gully xref: EcoLexicon:ravine xref: FTT:159 xref: FTT:420 xref: Geonames:H.RVN xref: TGN:21427 is_a: ENVO:00000100 ! valley intersection_of: ENVO:00000100 ! valley intersection_of: has_part ENVO:00000023 ! stream relationship: has_part ENVO:00000023 ! stream [Term] id: ENVO:00000134 name: permafrost def: "An environmental material which is 1) composed primarily of soil or rock and included ice or organic material and 2) at or below the freezing point of water for two or more years." [https://en.wikipedia.org/wiki/Permafrost, https://orcid.org/0000-0003-4808-4736] comment: Ice is not always present, as may be in the case of nonporous bedrock, but it frequently occurs and it may be in amounts exceeding the potential hydraulic saturation of the ground material. subset: envoPolar xref: http://sweetontology.net/realmSoil/Permafrost xref: https://en.wikipedia.org/wiki/Permafrost xref: LTER:408 is_a: ENVO:00010483 ! environmental material relationship: has_quality PATO:0001306 ! decreased temperature [Term] id: ENVO:00000141 name: bank namespace: ENVO def: "The sloping margin of a watercourse, serving to confine it to its natural channel." [MA:ma] synonym: "mount" BROAD [USGS:SDTS] synonym: "shore" RELATED [USGS:SDTS] xref: EcoLexicon:bank xref: FTT:195 xref: SWEETRealm:Bank xref: TGN:21466 is_a: ENVO:00002000 ! slope relationship: part_of ENVO:00000395 ! channel of a watercourse [Term] id: ENVO:00000142 name: stream bank namespace: ENVO def: "The sloping margin of a stream, serving to confine it to its natural channel." [MA:ma] synonym: "bank (hydrographic)" RELATED [ADL:FTT] xref: FTT:195 xref: FTT:196 xref: Geonames:H.BNKR xref: https://en.wikipedia.org/wiki/Stream_bank is_a: ENVO:00000141 ! bank [Term] id: ENVO:00000143 name: river bank namespace: ENVO def: "The sloping margin of a river, serving to confine it to its natural channel." [MA:ma] synonym: "riverbank" EXACT [Getty:TGN] xref: https://en.wikipedia.org/wiki/River_bank xref: TGN:21155 is_a: ENVO:00000142 ! stream bank [Term] id: ENVO:00000176 name: elevated landform def: "A landform elevated above the surrounding area." [MA:ma] synonym: "elevation" BROAD [] xref: https://en.wikipedia.org/wiki/Elevation xref: LTER:177 xref: SWEETRealm:Elevation is_a: ENVO:01001886 ! landform intersection_of: ENVO:01001886 ! landform intersection_of: has_quality PATO:0001688 ! increased elevation relationship: has_part ENVO:00002000 ! slope relationship: has_quality PATO:0001688 ! increased elevation [Term] id: ENVO:00000191 name: solid astronomical body part def: "A part of an astronomical body which is primarily composed of a continuous volume of solid material, shaped by one or more environmental processes." [https://en.wikipedia.org/wiki/Landform] synonym: "geological feature" RELATED [ADL:FTT] synonym: "landform" RELATED [] synonym: "physiographic feature" RELATED [] xref: EcoLexicon:landform xref: EcoLexicon:landforms xref: FTT:754 xref: FTT:96 xref: SWEETRealm:Landform xref: TGN:21400 xref: TGN:21401 is_a: ENVO:01001784 ! compound astronomical body part intersection_of: ENVO:01000813 ! astronomical body part intersection_of: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material relationship: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material [Term] id: ENVO:00000194 name: scree namespace: ENVO def: "Broken rock that appears at the bottom of crags, mountain cliffs or valley shoulders." [https://en.wikipedia.org/wiki/Scree] synonym: "TALUS" RELATED [USGS:SDTS] synonym: "talus slope" RELATED [Geonames:feature] synonym: "talus slope" RELATED [Getty:TGN] xref: EcoLexicon:scree xref: FTT:1078 xref: FTT:96 xref: Geonames:T.TAL xref: https://en.wikipedia.org/wiki/Scree xref: SWEETRealm:Talus xref: TGN:21508 is_a: ENVO:00010483 ! environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: has_part ENVO:00000339 ! piece of rock intersection_of: RO:0001000 ENVO:00001995 ! derives from rock relationship: has_part ENVO:00000339 ! piece of rock relationship: RO:0001000 ENVO:00001995 ! derives from rock [Term] id: ENVO:00000247 name: volcano def: "An opening, or rupture, in the Earth's surface or crust, which allows hot, molten rock, ash and gases to escape from deep below the surface." [https://en.wikipedia.org/wiki/Volcano] synonym: "mount" BROAD [USGS:SDTS] xref: EcoLexicon:volcano xref: FTT:592 xref: Geonames:T.VLC xref: https://en.wikipedia.org/wiki/Volcano xref: TGN:21406 is_a: ENVO:01000667 ! geological fracture relationship: formed_as_result_of ENVO:01000634 ! volcanic eruption [Term] id: ENVO:00000248 name: glacial valley namespace: ENVO def: "A valley that contains, or contained, a glacier and was formed by glacial activity. Typically U-shaped in cross-section." [MA:ma] subset: envoPolar synonym: "valley" RELATED [USGS:SDTS] xref: https://en.wikipedia.org/wiki/Glacial_valley is_a: ENVO:00000100 ! valley [Term] id: ENVO:00000300 name: scrubland area def: "Area covered with low-growing or stunted perennial vegetation and usually not mixed with trees." [ADL:FTT] synonym: "bush" RELATED [ADL:FTT] synonym: "bush" RELATED [Getty:TGN] synonym: "chaparal area" RELATED [ADL:FTT] synonym: "heath" RELATED [ADL:FTT] synonym: "scrub" RELATED [USGS:SDTS] synonym: "scrubland" EXACT [Geonames:feature] synonym: "shrubland" RELATED [ADL:FTT] synonym: "shrubland" RELATED [USGS:SDTS] xref: FTT:1191 xref: FTT:262 xref: FTT:374 xref: FTT:473 xref: FTT:792 xref: FTT:991 xref: Geonames:V.SCRB xref: https://en.wikipedia.org/wiki/Scrubland xref: SWEETRealm:Scrub xref: TGN:21644 xref: TGN:21652 is_a: ENVO:01001293 ! bush area [Term] id: ENVO:00000309 name: depressed landform def: "A landform sunken or depressed below the surrounding area." [https://en.wikipedia.org/wiki/Depression_%28geology%29] synonym: "barrier basin" RELATED [USGS:SDTS] synonym: "depression" BROAD [] synonym: "depression" RELATED [Geonames:feature] synonym: "non tidal basin" RELATED [USGS:SDTS] synonym: "pan" RELATED [Geonames:feature] synonym: "pan" RELATED [Getty:TGN] synonym: "pan (geologic)" RELATED [ADL:FTT] synonym: "pans" RELATED [Geonames:feature] synonym: "tidal basin" RELATED [USGS:SDTS] xref: EcoLexicon:depression xref: FTT:175 xref: FTT:215 xref: FTT:216 xref: Geonames:T.DPR xref: Geonames:T.PAN xref: Geonames:T.PANS xref: SWEETRealm:Depression xref: TGN:21454 xref: TGN:21497 xref: TGN:21521 is_a: ENVO:01001886 ! landform intersection_of: ENVO:01001886 ! landform intersection_of: has_quality PATO:0001689 ! decreased elevation relationship: has_part ENVO:00002000 ! slope relationship: has_quality PATO:0001689 ! decreased elevation relationship: has_quality PATO:0002143 ! sloped downward property_value: IAO:0000116 "Clarify that this pertains to the planetary crust and create superclass for general topological depressions. https://github.com/EnvironmentOntology/envo/issues/486" xsd:string [Term] id: ENVO:00000328 name: vadose zone def: "A zone beneath the land surface and above the level of permanent groundwater or phreatic zone in which water has a hydraulic head less than atmospheric pressure and is retained by a combination of adhesion and capillary action." [http://wasg.iinet.net.au/terminol.html, https://en.wikipedia.org/wiki/Vadose_zone] comment: https://en.wikipedia.org/wiki/ If the vadose zone envelops soil, the water contained therein is termed soil moisture. In fine grained soils, capillary action can cause the pores of the soil to be fully saturated above the water table at a pressure less than atmospheric. In such soils, therefore, the unsaturated zone is the upper section of the vadose zone and not identical to it. synonym: "unsaturated zone" EXACT [https://en.wikipedia.org/wiki/Vadose_zone] is_a: ENVO:01000408 ! environmental zone [Term] id: ENVO:00000329 name: phreatic zone def: "A compound astronomical body part which is located beneath the land surface and in which all interstices are filled with water that has a hydraulic head greater than atmospheric pressure due to the weight of overlying groundwater." [http://wasg.iinet.net.au/terminol.html, https://en.wikipedia.org/wiki/Phreatic_zone] synonym: "zone of saturation" RELATED [https://en.wikipedia.org/wiki/Phreatic_zone] xref: https://en.wikipedia.org/wiki/Phreatic_zone is_a: ENVO:01001784 ! compound astronomical body part relationship: has_part ENVO:01001004 ! groundwater [Term] id: ENVO:00000339 name: piece of rock def: "A mass of solid material which is composed primarily of rock." [] xref: FTT:1010 xref: FTT:145 xref: Geonames:T.RK xref: Geonames:T.RKS xref: TGN:21444 is_a: ENVO:01001687 ! mass of solid material intersection_of: ENVO:01001687 ! mass of solid material intersection_of: RO:0002473 ENVO:00001995 ! composed primarily of rock relationship: RO:0002473 ENVO:00001995 ! composed primarily of rock [Term] id: ENVO:00000340 name: particle of sand def: "A particle which 1) is composed primarily of and derived from rock or mineral sources and 2) is or was part of a portion of sand." [https://en.wikipedia.org/wiki/Sand] comment: In general, sand grains are larger than those of silt, but finer than those of gravel. synonym: "grain of sand" EXACT [] synonym: "granule of sand" EXACT [] synonym: "sand granule" EXACT [] is_a: ENVO:01003002 ! particle [Term] id: ENVO:00000341 name: piece of gravel def: "A piece of rock which is between two and 64 millimetres in length along its largest dimension." [https://en.wikipedia.org/wiki/Gravel] comment: Arguably, this could be placed in the "particle" hierarchy, but is usually considered too large in everyday semantics. is_a: ENVO:00000339 ! piece of rock [Term] id: ENVO:00000343 name: particle of silt def: "A particle which 1) is primarily composed of quartz or feldspar and 2) is or was part of a portion of silt." [] comment: The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. {xref="Properties"} synonym: "grain of silt" EXACT [] synonym: "granule of silt" EXACT [] is_a: ENVO:01003002 ! particle [Term] id: ENVO:00000344 name: grain of desert sand is_a: ENVO:00000340 ! particle of sand intersection_of: ENVO:00000340 ! particle of sand intersection_of: part_of ENVO:00005800 ! desert sand relationship: part_of ENVO:00005800 ! desert sand [Term] id: ENVO:00000395 name: channel of a watercourse def: "A depressed landform which physically confines a river, slough or ocean strait, and which consists of a bed and banks." [https://en.wikipedia.org/wiki/Channel_%28geography%29] xref: EcoLexicon:channel xref: EcoLexicon:sea_channel xref: FTT:1192 xref: FTT:233 xref: FTT:461 xref: FTT:462 xref: FTT:463 xref: FTT:464 xref: FTT:465 xref: FTT:466 xref: FTT:468 xref: FTT:469 xref: FTT:470 xref: Geonames:H.CHN xref: Geonames:U.SCNU xref: Geonames:U.SCSU xref: SWEETRealm:Channel xref: TGN:21137 xref: TGN:23451 is_a: ENVO:00000309 ! depressed landform relationship: has_part ENVO:00000141 ! bank relationship: has_part ENVO:00000501 ! submerged bed property_value: IAO:0000116 "We need a more general channel definition, the current is only for water course channels. We need to refactor the semantics of channels, tunnels and conduits, in a similar way to uberon anatomical channels http://purl.obolibrary.org/obo/UBERON_0004111. See https://github.com/EnvironmentOntology/envo/issues/147" xsd:string [Term] id: ENVO:00000397 name: lake channel def: "A channel of a watercourse which contains lake water." [] subset: envoPolar xref: FTT:233 xref: FTT:464 xref: Geonames:H.CHNL xref: TGN:21185 is_a: ENVO:00000395 ! channel of a watercourse [Term] id: ENVO:00000428 name: biome alt_id: LTER:809 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=809&/biomes"} def: "A biome is an ecosystem to which resident ecological communities have evolved adaptations." [DOI:10.1186/2041-1480-4-43, https://en.wikipedia.org/wiki/Biome] comment: There has been some concern raised (see Issue #143) about the usefulness of the assertion that organisms have evolved within a given biome. They may have evolved adaptations elsewhere and demonstrating one or the other is often not feasible. Consider relabelling to "environmental system determined by an ecological community" or similar. synonym: "EcosytemType" RELATED [NASA:earthrealm] synonym: "major habitat type" EXACT [WWF:Biome] xref: EcoLexicon:biome is_a: ENVO:01001110 ! ecosystem relationship: has_component ENVO:01000739 {minCardinality="2"} ! habitat relationship: has_part ENVO:01000739 ! habitat relationship: part_of ENVO:01000817 ! biosphere relationship: RO:0002507 PCO:0000002 ! determined by ecological community [Term] id: ENVO:00000446 name: terrestrial biome def: "A biome which is primarily or completely situated on a landmass." [https://en.wikipedia.org/wiki/Biome#Terrestrial_biomes] synonym: "terrestrial realm" RELATED [] xref: LTER:798 xref: SPIRE:Terrestrial is_a: ENVO:00000428 ! biome [Term] id: ENVO:00000447 name: marine biome def: "An aquatic biome which is determined by a marine water body." [https://en.wikipedia.org/wiki/Ocean, https://orcid.org/0000-0002-4366-3088, ISBN:978-0-618-45504-1, MA:ma] comment: This biome includes open-ocean and unprotected coastal ecosystems, characterized by exposure to wave action, tidal fluctuation, and ocean currents as well as systems that largely resemble these. Water in the marine biome is generally within the salinity range of seawater: 30 to 38 ppt. subset: envoPolar synonym: "marine realm" RELATED [] xref: SPIRE:Marine is_a: ENVO:00002030 ! aquatic biome is_a: ENVO:01001788 ! marine ecosystem intersection_of: ENVO:00002030 ! aquatic biome intersection_of: RO:0002507 ENVO:00001999 ! determined by marine water body [Term] id: ENVO:00000469 name: research facility def: "A facility, permanent or temporary, on land, in air, space or water, where scientific research or measurements can be undertaken." [MA:ma] is_a: ENVO:00000070 ! human construction [Term] id: ENVO:00000501 name: submerged bed def: "The portion of the ground surface which lies below water." [USGS:SDTS] synonym: "BOTTOM" BROAD [USGS:SDTS] xref: EcoLexicon:bed xref: FTT:804 xref: https://en.wikipedia.org/wiki/Stream_bed xref: SWEETRealm:Bottom is_a: ENVO:01001311 ! solid surface layer is_a: ENVO:01001483 ! surface of an astronomical body relationship: part_of ENVO:00000309 ! depressed landform relationship: RO:0002220 ENVO:00000063 ! adjacent to water body [Term] id: ENVO:00000856 name: city namespace: ENVO def: "Incorporated populated place." [ADL:FTT] synonym: "urban area" BROAD [ADL:FTT] xref: EcoLexicon:city xref: FTT:430 xref: FTT:483 xref: FTT:484 xref: FTT:485 xref: https://en.wikipedia.org/wiki/City xref: SWEETRealm:City xref: TGN:83020 xref: TGN:83040 xref: TGN:83043 is_a: ENVO:01000658 ! dense settlement [Term] id: ENVO:00000873 name: freshwater biome def: "An aquatic biome which is determined by a body of freshwater." [https://orcid.org/0000-0002-4366-3088, MA:ma] subset: envoPolar synonym: "freshwater realm" RELATED [] xref: SPIRE:Freshwater is_a: ENVO:00002030 ! aquatic biome is_a: ENVO:01001789 ! freshwater ecosystem [Term] id: ENVO:00001995 name: rock def: "A rock is a naturally occurring solid aggregate of one or more minerals or mineraloids." [https://en.wikipedia.org/wiki/Rock_(geology), MA:ma] comment: From https://en.wikipedia.org/wiki/ [A mineral] is different from a rock, which can be an aggregate of minerals or non-minerals and does not have a specific chemical composition. The exact definition of a mineral is under debate, especially with respect to the requirement a valid species be abiogenic, and to a lesser extent with regards to it having an ordered atomic structure. xref: EcoLexicon:rock xref: FTT:1010 xref: FTT:145 xref: Geonames:T.RK xref: Geonames:T.RKS xref: https://en.wikipedia.org/wiki/Rock xref: SWEETRealm:Rock xref: TGN:21444 is_a: ENVO:01000814 ! solid environmental material relationship: has_quality PATO:0000386 ! hard [Term] id: ENVO:00001996 name: mine drainage namespace: ENVO def: "The outflow of water from a mine." [MA:ma] synonym: "acid and metalliferous drainage" RELATED [https://en.wikipedia.org/wiki/Acid_mine_drainage] synonym: "acid rock drainage" RELATED [https://en.wikipedia.org/wiki/Acid_mine_drainage] xref: https://en.wikipedia.org/wiki/Acid_mine_drainage is_a: ENVO:00000029 ! watercourse relationship: part_of ENVO:00000076 ! mine [Term] id: ENVO:00001997 name: acid mine drainage def: "A mine drainage with an acidic pH." [MA:ma] synonym: "acid rock drainage" RELATED [https://en.wikipedia.org/wiki/Acid_mine_drainage] xref: https://en.wikipedia.org/wiki/Acid_mine_drainage is_a: ENVO:00001996 ! mine drainage intersection_of: ENVO:00001996 ! mine drainage intersection_of: has_quality PATO:0001429 ! acidic relationship: has_quality PATO:0001429 ! acidic [Term] id: ENVO:00001998 name: soil def: "An environmental material which is primarily composed of minerals, varying proportions of sand, silt, and clay, organic material such as humus, interstitial gases, liquids, and a broad range of resident micro- and macroorganisms." [https://en.wikipedia.org/wiki/Soil] def: "Soil is an environmental material which is primarily composed of minerals, varying proportions of sand, silt, and clay, organic material such as humus, gases, liquids, and a broad range of resident micro- and macroorganisms." [] comment: 'In engineering terms, soil is referred to as regolith, or loose rock material that lies above the 'solid geology'. Soil is commonly referred to as "earth" or "dirt"; technically, the term "dirt" should be restricted to displaced soil.' https://en.wikipedia.org/wiki/Soil\n\n" The upper limit of soil is the boundary between soil and air, shallow water, live plants, or plant materials that have not begun to decompose. Areas are not considered to have soil if the surface is permanently covered by water too deep (typically more than 2.5 meters) for the growth of rooted plants.\n\nThe lower boundary that separates soil from the nonsoil underneath is most difficult to define. Soil consists of horizons near the Earth's surface that, in contrast to the underlying parent material, have been altered by the interactions of climate, relief, and living organisms over time. Commonly, soil grades at its lower boundary to hard rock or to earthy materials virtually devoid of animals, roots, or other marks of biological activity. For purposes of classification, the lower boundary of soil is arbitrarily set at 200 cm." Soil taxonomy, 2nd Ed., quoted in http://www.nrcs.usda.gov/wps/portal/nrcs/detail/soils/edu/?cid=nrcs142p2_054280 subset: EnvO-Lite-GSC synonym: "regolith" BROAD [] xref: https://en.wikipedia.org/wiki/Soil xref: LTER:535 xref: SPIRE:Soil xref: SWEETRealm:Soil is_a: ENVO:00010483 ! environmental material relationship: has_disposition ENVO:06105304 ! water-holding capacity of soil relationship: has_part ENVO:00002982 ! clay relationship: has_part ENVO:01000016 ! silt relationship: has_part ENVO:01000017 ! sand relationship: has_part ENVO:01000155 ! organic material relationship: has_part ENVO:01000256 ! mineral material relationship: has_quality PATO:0000984 ! porous relationship: part_of ENVO:01000820 ! pedosphere property_value: IAO:0000116 "The various 'has part' and 'has quality' relations may not hold true for all soils; however, I have yet to find counter examples. Require input from a pedologist or similar. [pbuttigieg]" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00001999 name: marine water body def: "A significant accumulation of water which is part of a marine biome." [] comment: Ideas like "significant" are fuzzy and need to be modelled more accurately. The definition is a candidate for review. synonym: "body of marine water" EXACT [] synonym: "marine waterbody" EXACT [] is_a: ENVO:01000617 ! lentic water body is_a: ENVO:01001308 ! hydroform relationship: part_of ENVO:00000447 ! marine biome [Term] id: ENVO:00002000 name: slope def: "A solid astronomical body part which is part of the planetary surface between the peak of an elevation or the bottom of a depression and relatively flat surrounding land." [MA:ma] synonym: "flank" RELATED [] synonym: "side" RELATED [] xref: EcoLexicon:slope xref: https://en.wikipedia.org/wiki/Slope xref: SWEETRealm:Slope is_a: ENVO:01001886 ! landform relationship: has_quality PATO:0001481 ! sloped [Term] id: ENVO:00002001 name: waste water namespace: ENVO def: "Water that has been adversely affected in quality by anthropogenic influence." [https://en.wikipedia.org/wiki/Wastewater] subset: EnvO-Lite-GSC xref: EcoLexicon:waste_water xref: https://en.wikipedia.org/wiki/Waste_water xref: SWEETRealm:Wastewater is_a: ENVO:00002186 ! contaminated water is_a: ENVO:00002264 ! waste material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002002 name: obsolete food product namespace: ENVO comment: The FAO has the following definition for "food": "Any substance, whether processed, semi-processed, or raw, which is intended for human consumption, and includes drink, chewing gum and any substance which has been used in the manufacture, preparation or treatment of "food" but does not include cosmetics or tobacco or substances used only as drugs." (Nutrition Division/Meeting Programming and Documentation Service, FAO, 2013 (MI198) adopted from Codex Alimentarius Commission, Procedural Manual, Twentieth edition, 2011 (ftp://ftp.fao.org/codex/Publications/ProcManuals/Manual_20e.pdf). ) subset: EnvO-Lite-GSC xref: https://en.wikipedia.org/wiki/Food is_obsolete: true replaced_by: FOODON:00001002 [Term] id: ENVO:00002003 name: fecal material def: "An excreta material which is composed primarily of feces, an excreta consisting of waste products expelled from an animal's digestive tract through the anus (or cloaca) during defecation." [https://en.wikipedia.org/wiki/Feces] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. comment: This is distinct from classes such as http://purl.obolibrary.org/obo/UBERON_0001988 in that it refers to the environmental material composed primarily of feces rather than 'just' feces. synonym: "droppings" RELATED [] synonym: "faeces material" EXACT [] synonym: "feces material" EXACT [] synonym: "frass" RELATED [] synonym: "pellet" RELATED [] xref: EcoLexicon:drop xref: SPIRE:Dung xref: SWEETRealm:Drop is_a: ENVO:02000022 ! excreta material relationship: RO:0002473 UBERON:0001988 ! composed primarily of feces [Term] id: ENVO:00002005 name: air def: "The mixture of gases (roughly (by molar content/volume: 78% nitrogen, 20.95% oxygen, 0.93% argon, 0.038% carbon dioxide, trace amounts of other gases, and a variable amount (average around 1%) of water vapor) that surrounds the planet Earth." [https://en.wikipedia.org/wiki/Air] subset: EnvO-Lite-GSC subset: envoPolar xref: EcoLexicon:air xref: https://en.wikipedia.org/wiki/Air xref: LTER:18 xref: SWEETRealm:Air is_a: ENVO:01000256 ! mineral material is_a: ENVO:01000797 ! gaseous environmental material relationship: has_part CHEBI:15379 ! dioxygen relationship: has_part CHEBI:16526 ! carbon dioxide relationship: has_part CHEBI:36908 ! argon molecular entity relationship: has_part ENVO:01000266 ! water vapour relationship: RO:0002473 CHEBI:17997 ! composed primarily of dinitrogen [Term] id: ENVO:00002006 name: liquid water def: "An environmental material primarily composed of dihydrogen oxide in its liquid form." [MA:ma] synonym: "water" BROAD [] xref: EcoLexicon:water xref: https://en.wikipedia.org/wiki/Water xref: LTER:617 is_a: ENVO:01000815 ! liquid environmental material relationship: RO:0002473 CHEBI:15377 ! composed primarily of water property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002007 name: sediment def: "Sediment is an environmental substance comprised of any particulate matter that can be transported by fluid flow and which eventually is deposited as a layer of solid particles on the bedor bottom of a body of water or other liquid." [https://en.wikipedia.org/wiki/Sediment] comment: It is recommended to use a combination of sediment terms to describe a more specific sediment type. subset: EnvO-Lite-GSC subset: envoPolar xref: EcoLexicon:sediment xref: EcoLexicon:sedimentation xref: https://en.wikipedia.org/wiki/Sediment xref: LTER:492 xref: LTER:493 xref: SWEETRealm:Sediment is_a: ENVO:00010483 ! environmental material relationship: has_quality PATO:0000984 ! porous relationship: has_quality PATO:0001759 ! granular [Term] id: ENVO:00002008 name: dust def: "Minute solid particles with diameters less than 500 micrometers. Occurs in and may be deposited from, the atmosphere." [] def: "Particulate environmental material with diameters less than 500 micrometers." [https://en.wikipedia.org/wiki/Dust] comment: Dust occurs in and may be deposited from the atmosphere. subset: envoPolar xref: EcoLexicon:dust xref: https://en.wikipedia.org/wiki/Dust xref: SWEETRealm:Dust is_a: ENVO:01000060 ! particulate environmental material is_a: ENVO:01000814 ! solid environmental material relationship: has_quality PATO:0001824 ! dry property_value: IAO:0000116 "Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002010 name: saline water def: "Water which contains a significant concentration of dissolved salts." [] comment: The threshold salt concentration for classifying water as saline varies, but typically begins at about 1,000 to 3,000 parts salt per million parts water or 0.1–0.3% salt by weight. synonym: "salt water" EXACT [] xref: EcoLexicon:saltwater xref: https://en.wikipedia.org/wiki/Saline_water xref: SWEETRealm:SalineWater xref: SWEETRealm:SaltWater is_a: ENVO:00002006 ! liquid water relationship: has_increased_levels_of CHEBI:26710 ! sodium chloride relationship: has_quality PATO:0001657 ! increased osmolarity property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002011 name: fresh water def: "Water which has a low concentration of dissolved solutes, particularly that of sodium chloride." [] comment: The lower bound of solute concentration required for water to be considered freshwater is variable, but is always less than that of seawater, and often cited as less than 1 gram of solutes per 1 litre of water. subset: envoEmpo subset: envoPolar synonym: "freshwater" EXACT [] synonym: "sweet water" RELATED [] xref: EcoLexicon:fresh_water xref: https://en.wikipedia.org/wiki/Fresh_water xref: LTER:216 xref: SWEETRealm:FreshWater is_a: ENVO:00002006 ! liquid water property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002015 name: volcanic rock namespace: ENVO def: "An igneous rock that results from magma reaching the surface either as lava or fragmental ejecta." [https://en.wikipedia.org/wiki/Rock_%28geology%29] comment: Due to the general suggestion that volcanic rock simply comes from a volcanic process, it's not immediately clear whether this is interchangeable with igneous rock. xref: EcoLexicon:volcanic_rock xref: https://en.wikipedia.org/wiki/Volcanic_rock xref: SWEETRealm:VolcanicRock is_a: ENVO:00001995 ! rock intersection_of: ENVO:00001995 ! rock intersection_of: formed_as_result_of ENVO:01000634 ! volcanic eruption relationship: formed_as_result_of ENVO:01000634 ! volcanic eruption [Term] id: ENVO:00002016 name: sedimentary rock namespace: ENVO def: "A rock formed by deposition of either clastic sediments, organic matter, or chemical precipitates (evaporites), followed by compaction of the particulate matter and cementation during diagenesis." [https://en.wikipedia.org/wiki/Rock_%28geology%29] xref: EcoLexicon:sedimentary_rock xref: https://en.wikipedia.org/wiki/Sedimentary_rock xref: SWEETRealm:SedimentaryRock is_a: ENVO:00001995 ! rock [Term] id: ENVO:00002017 name: metamorphic rock namespace: ENVO def: "A rock formed by subjecting any rock type (including previously-formed metamorphic rock) to different temperature and pressure conditions than those in which the original rock was formed. These temperatures and pressures are always higher than those at the Earth's surface and must be sufficiently high so as to change the original minerals into other mineral types or else into other forms of the same minerals (e.g. by recrystallisation)." [https://en.wikipedia.org/wiki/Rock_%28geology%29] xref: EcoLexicon:metamorphic_rock xref: https://en.wikipedia.org/wiki/Metamorphic_rock xref: SWEETRealm:MetamorphicRock is_a: ENVO:00001995 ! rock [Term] id: ENVO:00002018 name: sewage namespace: ENVO def: "Wastewater that is contaminated with feces or urine," [https://en.wikipedia.org/wiki/Wastewater] xref: https://en.wikipedia.org/wiki/Sewage xref: SWEETRealm:Sewage is_a: ENVO:00002001 ! waste water intersection_of: ENVO:00002001 ! waste water intersection_of: RO:0002473 ENVO:00002276 ! composed primarily of animal waste material relationship: RO:0002473 ENVO:00002276 ! composed primarily of animal waste material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002030 name: aquatic biome def: "A biome which is determined by a water body and which has ecological climax communities adapted to life in or on water." [] xref: LTER:41 is_a: ENVO:00000428 ! biome is_a: ENVO:01001787 ! aquatic ecosystem intersection_of: ENVO:00000428 ! biome intersection_of: RO:0002507 ENVO:00000063 ! determined by water body [Term] id: ENVO:00002040 name: wood namespace: ENVO xref: EcoLexicon:wood xref: https://en.wikipedia.org/wiki/Wood xref: langual:thesaurus.asp?termid=C0309 xref: LTER:637 xref: SWEETRealm:Wood is_a: ENVO:01000155 ! organic material is_a: ENVO:01000814 ! solid environmental material is_a: FOODON:03420148 ! root, stem, leaf or flower property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002043 name: wastewater treatment plant namespace: ENVO xref: EcoLexicon:wastewater_treatment_plant xref: https://en.wikipedia.org/wiki/Wastewater_treatment_plant is_a: ENVO:00002272 ! waste treatment plant [Term] id: ENVO:00002044 name: sludge def: "The residual semi-solid material left from domestic or industrial processes, or wastewater treatment processes." [https://en.wikipedia.org/wiki/Sludge] subset: EnvO-Lite-GSC xref: EcoLexicon:sludge xref: https://en.wikipedia.org/wiki/Sludge is_a: ENVO:0010001 ! anthropogenic environmental material [Term] id: ENVO:00002045 name: anaerobic sediment namespace: ENVO def: "Sediment characterised by the absence of oxygen." [ORCID:0000-0002-4366-3088] subset: envoPolar synonym: "anoxic sediment" EXACT [] is_a: ENVO:00002007 ! sediment intersection_of: ENVO:00002007 ! sediment intersection_of: has_quality PATO:0001456 ! anaerobic relationship: has_quality PATO:0001456 ! anaerobic [Term] id: ENVO:00002057 name: raw primary sludge namespace: ENVO is_a: ENVO:00002044 ! sludge [Term] id: ENVO:00002058 name: secondary sludge namespace: ENVO is_a: ENVO:00002044 ! sludge [Term] id: ENVO:00002059 name: biosolids namespace: ENVO def: "A treated form of sludge, sometimes used as a fertilizer in agriculture." [https://en.wikipedia.org/wiki/Sludge] xref: https://en.wikipedia.org/wiki/Biosolids is_a: ENVO:00002044 ! sludge [Term] id: ENVO:00002060 name: oil sludge namespace: ENVO def: "A solid or gel in motor oil caused by the oil gelling or solidifying, usually at temperatures lower than 100deg C." [https://en.wikipedia.org/wiki/Oil_sludge] xref: https://en.wikipedia.org/wiki/Oil_sludge is_a: ENVO:00002176 ! contaminated sludge [Term] id: ENVO:00002112 name: gold mine drainage def: "Mine drainage which is formed as a result of the mining of gold." [] is_a: ENVO:00001996 ! mine drainage [Term] id: ENVO:00002114 name: chemically enriched sediment def: "Sediment which has increased levels of one or more chemical compounds." [] is_a: ENVO:00002007 ! sediment intersection_of: ENVO:00002007 ! sediment intersection_of: has_increased_levels_of CHEBI:24431 ! chemical entity relationship: has_increased_levels_of CHEBI:24431 ! chemical entity [Term] id: ENVO:00002115 name: petroleum enriched sediment def: "Organically enriched sediment which has increased levels of petroleum." [] is_a: ENVO:00002202 ! organically enriched sediment intersection_of: ENVO:00002202 ! organically enriched sediment intersection_of: has_increased_levels_of ENVO:00002984 ! petroleum relationship: has_increased_levels_of ENVO:00002984 ! petroleum [Term] id: ENVO:00002116 name: contaminated soil namespace: ENVO def: "A portion of contaminated soil is a portion of soil with elevated levels of some contaminant." [] comment: "contaminant" is more of a disposition - any material entity can be a contaminant in particular circumstances. is_a: ENVO:00003082 ! enriched soil [Term] id: ENVO:00002117 name: creosote contaminated soil def: "Soil which has elevated concentrations of creosote." [] is_a: ENVO:00002116 ! contaminated soil relationship: has_increased_levels_of ENVO:2000001 ! creosote [Term] id: ENVO:00002122 name: arsenic-rich mud def: "Mud which has elevated concentrations of arsenic." [] is_a: ENVO:01000001 ! mud intersection_of: ENVO:01000001 ! mud intersection_of: has_increased_levels_of CHEBI:27563 ! arsenic atom relationship: has_increased_levels_of CHEBI:27563 ! arsenic atom [Term] id: ENVO:00002127 name: stream sediment namespace: ENVO comment: Revise adjacent to. Consider sampled stream sediment. Dry stream sediment. is_a: ENVO:00002007 ! sediment intersection_of: ENVO:00002007 ! sediment intersection_of: RO:0002220 ENVO:00000023 ! adjacent to stream relationship: RO:0002220 ENVO:00000023 ! adjacent to stream [Term] id: ENVO:00002129 name: anaerobic sludge namespace: ENVO is_a: ENVO:00002044 ! sludge intersection_of: ENVO:00002044 ! sludge intersection_of: has_quality PATO:0001456 ! anaerobic relationship: has_quality PATO:0001456 ! anaerobic [Term] id: ENVO:00002133 name: anaerobic mud def: "Mud which has no or neglible concentrations of dissolved oxygen." [] synonym: "anoxic mud" EXACT [] is_a: ENVO:01000001 ! mud intersection_of: ENVO:01000001 ! mud intersection_of: has_quality PATO:0001456 ! anaerobic relationship: has_quality PATO:0001456 ! anaerobic [Term] id: ENVO:00002134 name: anaerobic stream sediment namespace: ENVO is_a: ENVO:00002045 ! anaerobic sediment is_a: ENVO:00002127 ! stream sediment intersection_of: ENVO:00002127 ! stream sediment intersection_of: has_quality PATO:0001456 ! anaerobic [Term] id: ENVO:00002135 name: treated wood namespace: ENVO xref: https://en.wikipedia.org/wiki/Treated_wood is_a: ENVO:00002040 ! wood [Term] id: ENVO:00002141 name: leachate namespace: ENVO def: "The liquid produced when water percolates through any permeable material. It can contain either dissolved or suspended material, or usually both." [https://en.wikipedia.org/wiki/Leachate] xref: https://en.wikipedia.org/wiki/Leachate is_a: ENVO:00002006 ! liquid water [Term] id: ENVO:00002142 name: borax leachate namespace: ENVO is_a: ENVO:00002141 ! leachate [Term] id: ENVO:00002145 name: chromate contaminated soil def: "Soil which has elevated concentrations of chromate." [] is_a: ENVO:00003081 ! metal contaminated soil relationship: has_increased_levels_of CHEBI:35404 ! chromate(2-) [Term] id: ENVO:00002146 name: xylene contaminated soil def: "Soil which has elevated concentrations of xylene." [] is_a: ENVO:00002116 ! contaminated soil relationship: has_increased_levels_of CHEBI:27338 ! xylene [Term] id: ENVO:00002149 name: sea water def: "Water which has physicochemical properties that have been determined by the processes occuring in a sea or ocean." [] comment: This definition refers to water that is actually in a sea or ocean. This water may have a wide range of salinity levels. synonym: "ocean water" EXACT [] synonym: "seawater" EXACT [] xref: EcoLexicon:sea_water xref: https://en.wikipedia.org/wiki/Sea_water xref: LTER:701 xref: SWEETRealm:SeaWater is_a: ENVO:00002010 ! saline water property_value: IAO:0000116 "When we have more classes representing the various processes which make seawater seawater, we can further axiomatise this class." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002167 name: platinum mine namespace: ENVO is_a: ENVO:00000076 ! mine [Term] id: ENVO:00002168 name: gold mine namespace: ENVO xref: https://en.wikipedia.org/wiki/Gold_mine is_a: ENVO:00000076 ! mine [Term] id: ENVO:00002169 name: coal mine namespace: ENVO xref: https://en.wikipedia.org/wiki/Coal_mine is_a: ENVO:00000076 ! mine [Term] id: ENVO:00002173 name: hospital def: "A hospital is a building in which health care services are provided by specialized staff and equipment." [https://en.wikipedia.org/wiki/Hospital] xref: https://en.wikipedia.org/wiki/Hospital is_a: ENVO:03501134 ! healthcare facility [Term] id: ENVO:00002176 name: contaminated sludge namespace: ENVO is_a: ENVO:00002044 ! sludge [Term] id: ENVO:00002177 name: 1,4-dioxane contaminated sludge namespace: ENVO is_a: ENVO:00002176 ! contaminated sludge intersection_of: ENVO:00002044 ! sludge intersection_of: has_increased_levels_of CHEBI:47032 ! 1,4-dioxane relationship: has_increased_levels_of CHEBI:47032 ! 1,4-dioxane [Term] id: ENVO:00002180 name: naphthalene enriched sediment def: "Organically enriched sediment which has increased levels of naphthalene." [] is_a: ENVO:00002202 ! organically enriched sediment is_a: ENVO:03600001 ! chemically contaminated sediment intersection_of: ENVO:00002202 ! organically enriched sediment intersection_of: has_increased_levels_of CHEBI:16482 ! naphthalene relationship: has_increased_levels_of CHEBI:16482 ! naphthalene [Term] id: ENVO:00002182 name: nitrobenzene enriched sediment def: "Organically enriched sediment which has increased levels of nitrobenzene." [] is_a: ENVO:00002202 ! organically enriched sediment intersection_of: ENVO:00002202 ! organically enriched sediment intersection_of: has_increased_levels_of CHEBI:27798 ! nitrobenzene relationship: has_increased_levels_of CHEBI:27798 ! nitrobenzene [Term] id: ENVO:00002186 name: contaminated water namespace: ENVO synonym: "polluted water" EXACT [] xref: EcoLexicon:water_pollution xref: https://en.wikipedia.org/wiki/Contaminated_water is_a: ENVO:00002006 ! liquid water property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002193 name: pulp-bleaching waste water namespace: ENVO is_a: ENVO:00002001 ! waste water [Term] id: ENVO:00002202 name: organically enriched sediment def: "Chemically-enriched sediment which has increased levels of organic compounds." [] is_a: ENVO:00002114 ! chemically enriched sediment intersection_of: ENVO:00002114 ! chemically enriched sediment intersection_of: has_increased_levels_of CHEBI:50860 ! organic molecular entity relationship: has_increased_levels_of CHEBI:50860 ! organic molecular entity [Term] id: ENVO:00002203 name: inorganically enriched sediment def: "Chemically-enriched sediment which has increased levels of inorganic compounds." [] is_a: ENVO:00002114 ! chemically enriched sediment intersection_of: ENVO:00002114 ! chemically enriched sediment intersection_of: has_increased_levels_of CHEBI:24835 ! inorganic molecular entity relationship: has_increased_levels_of CHEBI:24835 ! inorganic molecular entity [Term] id: ENVO:00002206 name: coal mine waste material namespace: ENVO synonym: "coal mine waste" BROAD [] synonym: "coal refuse" RELATED [] is_a: ENVO:00002267 ! industrial waste material relationship: part_of ENVO:00002169 ! coal mine [Term] id: ENVO:00002207 name: self-heating coal mine waste material namespace: ENVO synonym: "self-heating coal mine waste" BROAD [] is_a: ENVO:00002206 ! coal mine waste material [Term] id: ENVO:00002214 name: power plant namespace: ENVO def: "A power plant is a building which contains one or more generators which convert mechanical energy into electrical energy through the relative motion between a magnetic field and a conductor. The energy source harnessed to turn the generator varies widely." [https://en.wikipedia.org/wiki/Power_station] synonym: "generating plant" EXACT [] synonym: "generating station" EXACT [] synonym: "power station" EXACT [] synonym: "powerhouse" EXACT [] xref: https://en.wikipedia.org/wiki/Power_plant xref: SWEETRealm:PowerPlant is_a: ENVO:00003861 ! industrial building relationship: ENVO:2000036 ENVO:2000015 ! generates energy [Term] id: ENVO:00002215 name: geothermal power plant namespace: ENVO def: "A geothermal power plant is a power plant which uses heat generated by the decay of radioactive isotopes in the Earth's mantle and crust as well as primordial heat left over from the formation of the Earth to drive its generators." [https://en.wikipedia.org/wiki/Earth's_internal_heat_budget, https://en.wikipedia.org/wiki/Geothermal_energy] xref: https://en.wikipedia.org/wiki/Geothermal_power_plant xref: SWEETRealm:GeothermalPowerPlant is_a: ENVO:00002214 ! power plant [Term] id: ENVO:00002221 name: shop def: "A building in which a business presents a selection of goods and offers to trade or sell them to customers for money or other goods." [https://en.wikipedia.org/wiki/Shopping] synonym: "retail shop" EXACT [] synonym: "retail store" EXACT [] synonym: "retailer" EXACT [] xref: https://en.wikipedia.org/wiki/Shopping is_a: ENVO:01001222 ! commercial building property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002228 name: pond water namespace: ENVO is_a: ENVO:00002011 ! fresh water relationship: part_of ENVO:00000033 ! pond [Term] id: ENVO:00002259 name: agricultural soil def: "Soil which is part of an ecosystem used for agricultural activities." [] is_a: ENVO:00001998 ! soil relationship: part_of ENVO:00000077 ! agricultural ecosystem property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002261 name: forest soil def: "A portion of soil which is found in a forested area." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: RO:0001025 ENVO:00000111 ! located in forested area relationship: RO:0001025 ENVO:00000111 ! located in forested area [Term] id: ENVO:00002263 name: garden soil def: "A portion of soil which is found in a garden." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: RO:0001025 ENVO:00000011 ! located in garden relationship: part_of ENVO:00000011 ! garden relationship: RO:0001025 ENVO:00000011 ! located in garden [Term] id: ENVO:00002264 name: waste material namespace: ENVO def: "A material which is not the desired output of a process and which is typically the input of a process which removes it from its producer (e.g. a disposal process)." [] xref: EcoLexicon:waste xref: https://en.wikipedia.org/wiki/Waste xref: SWEETRealm:Waste is_a: ENVO:00010483 ! environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: has_role ENVO:01000665 ! waste role relationship: has_role ENVO:01000665 ! waste role property_value: IAO:0000116 "This seems more like a role than a material. Anything can be waste. Thus, a \"waste\" role or disposition will be created and this class can then be populated by inference: any environmental material which has [role,disposition] waste will be considered a waste material." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00002266 name: chicken breeding waste material namespace: ENVO synonym: "chicken breeding waste" BROAD [] synonym: "chicken yard waste" RELATED [] is_a: ENVO:01000371 ! agricultural waste material [Term] id: ENVO:00002267 name: industrial waste material namespace: ENVO def: "Industrial wastes are liquid, solid and gaseous wastes originating from the manufacture of specific products." [http://stats.oecd.org/glossary/detail.asp?ID=1340, ISBN:978-92-1-161386-5] synonym: "industrial waste" BROAD [] is_a: ENVO:00002264 ! waste material property_value: IAO:0000116 "This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being associated with industrial entities." xsd:string [Term] id: ENVO:00002271 name: nuclear power plant namespace: ENVO def: "A nuclear power plant is a power plant which uses heat generated by a radioactive decay in a nuclear reactor to convert water into steam in order to drive turbines in electrical generators through pressure." [https://en.wikipedia.org/wiki/Nuclear_power_plant] xref: https://en.wikipedia.org/wiki/Nuclear_power_plant is_a: ENVO:00002214 ! power plant relationship: has_part ENVO:02000137 ! nuclear power reactor [Term] id: ENVO:00002272 name: waste treatment plant synonym: "WWTP" EXACT [] is_a: ENVO:00003861 ! industrial building [Term] id: ENVO:00002273 name: fluvisol def: "Fluvisols accommodate genetically young, azonal soils in alluvial deposits." [FAO:http\://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf] xref: https://en.wikipedia.org/wiki/Fluvisols is_a: ENVO:00001998 ! soil [Term] id: ENVO:00002274 name: stagnosol namespace: ENVO def: "Stagnosols are soils with a perched water table showing redoximorphic features caused by surface water. Stagnosols are periodically wet and mottled in the topsoil and subsoil, with or without concretions and/or bleaching." [FAO:http\://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf] is_a: ENVO:00001998 ! soil [Term] id: ENVO:00002275 name: technosol namespace: ENVO def: "Technosols are soils whose properties and pedogenesis are dominated by their technical origin. They contain a significant amount of artefacts (something in the soil recognizably made or extracted from the earth by humans), or are sealed by technic hard rock (material created by humans, having properties unlike natural rock). They include soils from wastes (landfills, sludge, cinders, mine spoils and ashes), pavements with their underlying unconsolidated materials, soils with geomembranes and constructed soils in human-made materials." [FAO:http\://fao.org/ag/agl/agll/wrb/doc/wrb2006final.pdf] is_a: ENVO:00001998 ! soil relationship: part_of ENVO:01000983 ! technosphere [Term] id: ENVO:00002276 name: animal waste material namespace: ENVO synonym: "animal waste" BROAD [] xref: https://en.wikipedia.org/wiki/Animal_waste xref: SWEETRealm:AnimalWaste is_a: ENVO:00002873 ! organic waste material property_value: IAO:0000116 "This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being associated with animal metabolism." xsd:string [Term] id: ENVO:00002869 name: hay namespace: ENVO def: "Hay is grass, legumes or other herbaceous plants that have been cut, dried, and stored for use as animal fodder, particularly for grazing livestock such as cattle, horses, goats, and sheep." [https://en.wikipedia.org/wiki/Hay] xref: https://en.wikipedia.org/wiki/Hay is_a: ENVO:0010003 ! agricultural environmental material [Term] id: ENVO:00002870 name: adobe def: "A natural building material mode from sand, clay, water, and some kind of fibrous or organic material (sticks, straw, and/or manure)." [https://en.wikipedia.org/wiki/Adobe] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:01000814 ! solid environmental material relationship: has_part ENVO:00002982 ! clay relationship: has_part ENVO:01000017 ! sand [Term] id: ENVO:00002872 name: bagasse def: "The biomass remaining after sugarcane stalks are crushed to extract their juice." [https://en.wikipedia.org/wiki/Bagasse] synonym: "sugarcane bagasse" EXACT [] xref: https://en.wikipedia.org/wiki/Bagasse is_a: ENVO:00002264 ! waste material [Term] id: ENVO:00002873 name: organic waste material namespace: ENVO synonym: "organic waste" BROAD [] xref: https://en.wikipedia.org/wiki/Organic_waste is_a: ENVO:01000373 ! biological waste material property_value: IAO:0000116 "This should probably be merged with biological waste material." xsd:string [Term] id: ENVO:00002874 name: air conditioning unit def: "A manufactuered product which is capable of removing heat and controlling the humidity of the air within a site." [] {def="Air:conditioning"} synonym: "A/C" BROAD [] synonym: "A/C unit" BROAD [] synonym: "air conditioner" BROAD [] is_a: ENVO:00003074 ! manufactured product [Term] id: ENVO:00002875 name: oil contaminated soil def: "Soil which has elevated concentrations of oil." [] is_a: ENVO:00002116 ! contaminated soil relationship: has_increased_levels_of ENVO:00002985 ! oil [Term] id: ENVO:00002982 name: clay def: "Particulate environmental material which 1) is composed primarily of clay particles, with only minor proportions of other materials, 2) demonstrates plasticity when wet, and 3) is capable of hardening when dried or fired." [https://en.wikipedia.org/wiki/Clay] comment: This definition is intentionally ambiguous to support the multiple thresholds set by different authorities.The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. Similar mixtures with greater than 40% clay are often considered clay soils. {xref="https://en.wikipedia.org/wiki/Clay"} xref: EcoLexicon:clay xref: SWEETRealm:Clay is_a: ENVO:01000060 ! particulate environmental material relationship: has_characteristic PATO:0001759 ! granular relationship: has_part ENVO:01003003 ! particle of clay relationship: has_quality PATO:0000984 ! porous property_value: IAO:0000116 "Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible." xsd:string [Term] id: ENVO:00002983 name: fuel oil def: "An oil which 1) is liquid at room temperature (approximately 20 degrees Celsius) 2) is intended to be burned in a furnace or boiler for the generation of heat or used in an engine for the generation of power, 3) is obtained from petroleum distillation, either as a distillate or a residue, 4) composed of long hydrocarbon chains, particularly alkanes, cycloalkanes and aromatics." [https://en.wikipedia.org/wiki/Fuel_oil] comment: Oils having a flash point of approximately 42 degrees Celsius and oils burned in cotton or wool-wick burners are not typically considered fuel oils. The term fuel oil is also used in a stricter sense to refer only to the heaviest commercial fuel that can be obtained from crude oil, i.e., heavier than gasoline and naphtha. {xref="https://en.wikipedia.org/wiki/Fuel_oil"} synonym: "furnace oil" EXACT [] synonym: "heavy oil" EXACT [] synonym: "marine fuel" EXACT [] is_a: ENVO:00002985 ! oil relationship: has_role CHEBI:35230 ! fossil fuel [Term] id: ENVO:00002984 name: petroleum def: "A naturally occurring flammable liquid consisting of a complex mixture of hydrocarbons of various molecular weights and other liquid organic compounds, that are found in geologic formations beneath the planetary surfaces." [https://en.wikipedia.org/wiki/Petroleum] synonym: "crude oil" RELATED [] xref: https://en.wikipedia.org/wiki/Petroleum is_a: ENVO:00002985 ! oil relationship: has_role CHEBI:35230 ! fossil fuel [Term] id: ENVO:00002985 name: oil def: "A nonpolar, hydrophobic, and lipophilic material which is a viscous liquid at ambient temperatures (about 20 degrees Celsius) or slightly warmer." [https://en.wikipedia.org/wiki/Oil] xref: EcoLexicon:oil is_a: ENVO:01000815 ! liquid environmental material is_a: ENVO:2000045 ! hydrocarbon-based environmental material relationship: has_quality PATO:0001885 ! hydrophobic [Term] id: ENVO:00003030 name: silage namespace: ENVO def: "A fermented, high-moisture forage that can be fed to ruminants." [https://en.wikipedia.org/wiki/Silage] xref: https://en.wikipedia.org/wiki/Silage is_a: ENVO:0010003 ! agricultural environmental material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003031 name: animal manure def: "Manure which is derived from the waste products of animals." [] def: "Organic matter, mostly animal feces, that is used as organic fertilizer in agriculture." [] comment: This is interesting in that the "role" aspect of "waste" is (or can be) replaced by another role "fertilizer". Thus, the positioning of "manure" under waste may not be totally correct. synonym: "manure" EXACT [] is_a: ENVO:03501300 ! manure property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/f/fb/Manure%5E_-_geograph.org.uk_-_220743.jpg {http://purl.org/dc/terms/license="CC BY-SA 2.0", http://purl.org/dc/terms/rightsHolder="Adam Ward"} property_value: IAO:0000117 http://orcid.org/0000-0002-9578-0788 property_value: IAO:0000119 "Animal_manure" property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003032 name: fresh animal manure namespace: ENVO is_a: ENVO:00003031 ! animal manure property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003064 name: drinking water namespace: ENVO def: "Drinking water is water which may be consumed by humans with no adverse effects on their health." [] comment: LanguaL term definition: Potable water.\n\nLanguaL curation note: Water is indexed as a food source if it is the only ingredient or if the product is a soft drink. synonym: "potable water" EXACT [] xref: EcoLexicon:drinking_water xref: http://www.langual.org/langual_thesaurus.asp?termid=B1217 xref: https://en.wikipedia.org/wiki/Drinking_water xref: SWEETRealm:DrinkingWater is_a: ENVO:00002011 ! fresh water property_value: hasSynonym "potable water" xsd:string property_value: IAO:0000118 "water" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003065 name: distilled water namespace: ENVO xref: https://en.wikipedia.org/wiki/Distilled_water is_a: ENVO:00002006 ! liquid water [Term] id: ENVO:00003074 name: manufactured product def: "A material entity that has been processed by humans or their technology in any way, including intermediate products as well as final products." [] {comment="https://en.wikipedia.org/wiki/Manufactured_product"} synonym: "manufactured good" EXACT [] is_a: BFO:0000040 ! material entity intersection_of: BFO:0000040 ! material entity intersection_of: output_of ENVO:01000993 ! manufacturing process relationship: output_of ENVO:01000993 ! manufacturing process property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003076 name: glue def: "A function realised by an environmental material when used to bind material entities together." [https://en.wikipedia.org/wiki/Glue] comment: This sounds more like a role than a material, per se. {created_by="ORCID:0000-0002-4366-3088"} synonym: "adhesive" EXACT [] synonym: "mucilage" EXACT [] synonym: "paste" BROAD [] xref: https://en.wikipedia.org/wiki/Glue is_a: BFO:0000034 ! function [Term] id: ENVO:00003081 name: metal contaminated soil def: "Soil which has elevated concentrations of metals." [] is_a: ENVO:00002116 ! contaminated soil relationship: has_increased_levels_of CHEBI:33521 ! metal atom [Term] id: ENVO:00003082 name: enriched soil def: "A portion of enriched soil is a portion of soil with elevated levels of some material entity." [] comment: This could be demoted to an inferred class if issues with double inheritance arise. is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: has_increased_levels_of BFO:0000040 ! material entity relationship: has_increased_levels_of BFO:0000040 ! material entity [Term] id: ENVO:00003084 name: trimethylamine enriched soil namespace: ENVO def: "A portion of trimethylamine enriched soil is a portion of soil with elevated levels of trimethylamine." [] is_a: ENVO:00003082 ! enriched soil intersection_of: ENVO:00003082 ! enriched soil intersection_of: has_increased_levels_of CHEBI:18139 ! trimethylamine relationship: has_increased_levels_of CHEBI:18139 ! trimethylamine [Term] id: ENVO:00003087 name: acetamide enriched soil namespace: ENVO def: "A portion of acetamide enriched soil is a portion of soil with elevated levels of acetamide." [] is_a: ENVO:00003082 ! enriched soil intersection_of: ENVO:00003082 ! enriched soil intersection_of: has_increased_levels_of CHEBI:27856 ! acetamide relationship: has_increased_levels_of CHEBI:27856 ! acetamide [Term] id: ENVO:00003089 name: testosterone enriched soil namespace: ENVO def: "A portion of testosterone enriched soil is a portion of soil with elevated levels of testosterone." [] is_a: ENVO:00003082 ! enriched soil intersection_of: ENVO:00003082 ! enriched soil intersection_of: has_increased_levels_of CHEBI:17347 ! testosterone relationship: has_increased_levels_of CHEBI:17347 ! testosterone [Term] id: ENVO:00003096 name: tap water namespace: ENVO def: "Tap water is water supplied to a tap (valve). Its uses include drinking, washing, cooking, and the flushing of toilets" [] comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) subset: subset_siren xref: http://www.langual.org/langual_thesaurus.asp?termid=B3323 xref: https://en.wikipedia.org/wiki/Tap_water xref: SUBSET_SIREN:F7286 is_a: ENVO:00002011 ! fresh water property_value: hasSynonym "city water" xsd:string property_value: hasSynonym "municipal water" xsd:string property_value: hasSynonym "running water" xsd:string property_value: hasSynonym "table water" xsd:string property_value: hasSynonym "town water" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Tap_water xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00003861 name: industrial building def: "An industrial building is a building within which goods are produced and, optionally, stored or within which services are rendered." [https://en.wikipedia.org/wiki/Industry] comment: It's possible that this will become an inferred class in the future. The United Nations' International Standard Industrial Classification should be referred to when expanding this branch. ISIC can also be used to identify processes. See http://unstats.un.org/unsd/cr/registry/regcst.asp?Cl=27&Lg=1. is_a: ENVO:00000073 ! building intersection_of: ENVO:00000073 ! building intersection_of: participates_in ENVO:01001450 ! usage of an environment for industry relationship: participates_in ENVO:01001450 ! usage of an environment for industry property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00005748 name: dry soil def: "Soil which has little to no water content and in which minerals and other soluble chemical entities have either bonded or become adsorbed to sold particles due to insufficient water availability." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: has_quality PATO:0001824 ! dry relationship: has_quality PATO:0001824 ! dry [Term] id: ENVO:00005749 name: farm soil def: "A portion of soil which is part of a cropland or a rangeland biome." [] is_a: ENVO:00001998 ! soil [Term] id: ENVO:00005750 name: grassland soil def: "A portion of soil which is found in a grassland." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: RO:0001025 ENVO:00000106 ! located in grassland area relationship: RO:0001025 ENVO:00000106 ! located in grassland area [Term] id: ENVO:00005753 name: urea enriched soil namespace: ENVO def: "A portion of urea enriched soil is a portion of soil with elevated levels of urea." [] is_a: ENVO:00003082 ! enriched soil intersection_of: ENVO:00003082 ! enriched soil intersection_of: has_increased_levels_of CHEBI:16199 ! urea relationship: has_increased_levels_of CHEBI:16199 ! urea [Term] id: ENVO:00005755 name: field soil def: "Soil which is part of an agricultural field." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: part_of ENVO:00000114 ! agricultural field relationship: part_of ENVO:00000114 ! agricultural field [Term] id: ENVO:00005762 name: chloropicrin enriched soil namespace: ENVO def: "A portion of chloropicrin enriched soil is a portion of soil with elevated levels of chloropicrin." [] is_a: ENVO:00003082 ! enriched soil intersection_of: ENVO:00003082 ! enriched soil intersection_of: has_increased_levels_of CHEBI:39285 ! chloropicrin relationship: has_increased_levels_of CHEBI:39285 ! chloropicrin [Term] id: ENVO:00005767 name: manured soil def: "Soil which has, as a part, a portion of either fresh or processed animal manure." [] is_a: ENVO:00001998 ! soil [Term] id: ENVO:00005771 name: muddy soil def: "Soil which is composed of a large proportion of mud, thus having properties resembling mud." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: RO:0002473 ENVO:01000001 ! composed primarily of mud relationship: RO:0002473 ENVO:01000001 ! composed primarily of mud [Term] id: ENVO:00005786 name: upland soil def: "Soil which is part of some elevated land." [https://www.merriam-webster.com/dictionary/upland] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: part_of ENVO:00000176 ! elevated landform relationship: part_of ENVO:00000176 ! elevated landform [Term] id: ENVO:00005792 name: underground water def: "Water which has physicochemical properties determined by processes which occur beneath the planetary crust." [] comment: This class references any water that's under a planetary surface. For water that is in an aquifer, see "groundwater" (ENVO:01001004). Previously, this class included both. subset: envoPolar synonym: "subterranean water" RELATED [] xref: SWEETRealm:UndergroundWater is_a: ENVO:00002006 ! liquid water relationship: RO:0001025 ENVO:01000941 ! located in planetary subsurface zone [Term] id: ENVO:00005795 name: marine mud def: "Mud which is part of a marine ecosystem." [] subset: envoPolar is_a: ENVO:01000001 ! mud intersection_of: ENVO:01000001 ! mud intersection_of: part_of ENVO:00000447 ! marine biome relationship: part_of ENVO:00000447 ! marine biome [Term] id: ENVO:00005800 name: desert sand def: "Sand which is part of a desert." [] is_a: ENVO:01000017 ! sand intersection_of: ENVO:01000017 ! sand intersection_of: part_of ENVO:01001357 ! desert relationship: part_of ENVO:01001357 ! desert [Term] id: ENVO:00010483 name: environmental material def: "A portion of environmental material is a fiat object part which forms the medium or part of the medium of an environmental system." [DOI:10.1186/2041-1480-4-43, MA:ma, ORCID:0000-0002-4366-3088, URL:http\://ontology.buffalo.edu/smith/articles/niches.html] comment: Everything under this parent must be a mass noun. All subclasses are to be understood as being composed primarily of the named entity, rather than restricted to that entity. For example, "ENVO:water" is to be understood as "environmental material composed primarly of some CHEBI:water". This class is currently being aligned to the Basic Formal Ontology. Following this alignment, its definition and the definitions of its subclasses will be revised. synonym: "environmental" BROAD [] synonym: "portion of environmental material" EXACT [] is_a: BFO:0000024 ! fiat object part relationship: RO:0002473 CHEBI:33839 ! composed primarily of macromolecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00010504 name: surface layer def: "A layer of some material entity which is adjacent to one or more of its external boundaries and directly interacts with its immediate surroundings." [URL:http\://www.merriam-webster.com/dictionary/surface] comment: This class is distinct from a geometric surface, which is two-dimensional. The idea of "uppermost" may be problematic. Further, the definition of layer (the superclass of surface in rev 133) references surface. This may be another issue. Perhaps this can be made into an inferred class using 'bounding layer of' some material entity, note that 'bounding layer' implies containment, which may not be valid here. xref: EcoLexicon:surface xref: http://sweetontology.net/reprSpaceGeometry/Surface xref: https://en.wikipedia.org/wiki/Surface is_a: ENVO:01001684 ! interface layer [Term] id: ENVO:00010505 name: aerosol def: "Airborne solid particles (also called dust or particulate matter (PM)) or liquid droplets." [https://en.wikipedia.org/wiki/Aerosol] comment: Should connect to PATO as "quality of an aerosol" subset: envoAtmo xref: EcoLexicon:aerosol xref: SWEETRealm:Aerosol is_a: ENVO:00010483 ! environmental material relationship: has_part ENVO:01000797 ! gaseous environmental material relationship: has_quality PATO:0001332 ! amorphous [Term] id: ENVO:00010625 name: zoological garden namespace: ENVO def: "A facility in which animals are confined within enclosures and displayed to the public, and in which they may also be bred." [https://en.wikipedia.org/wiki/Zoo] synonym: "zoo" EXACT [] synonym: "zoological park" EXACT [] is_a: ENVO:00000011 ! garden property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:00012408 name: aquifer def: "An underground layer of water-bearing permeable rock or unconsolidated materials (gravel, sand, silt, or clay) from which groundwater can be usefully extracted using a water well." [https://en.wikipedia.org/wiki/Aquifer] subset: envoPolar xref: EcoLexicon:aquifer xref: https://en.wikipedia.org/wiki/Aquifer xref: SWEETRealm:Aquifer is_a: ENVO:01001275 ! solid layer relationship: has_part ENVO:00000328 ! vadose zone relationship: has_part ENVO:00000329 ! phreatic zone [Term] id: ENVO:0010001 name: anthropogenic environmental material namespace: ENVO def: "Anthropogenic material in or on which organisms may live." [MA:ma] is_a: ENVO:00010483 ! environmental material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:0010003 name: agricultural environmental material comment: This is quite odd and it probably should be obsoleted. Any material that is a participant in an agricultural process can be seen as an agricultural material. {created_by="ORCID:0000-0002-4366-3088"} is_a: ENVO:0010001 ! anthropogenic environmental material property_value: IAO:0000116 "This class will be depopulated and eventually deprecated. Convenience class." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000001 name: mud def: "An environmental material which is a liquid or semi-liquid mixture of water and some combination of soil, silt, and clay particles." [https://en.wikipedia.org/wiki/Mud] xref: EcoLexicon:mud xref: https://en.wikipedia.org/wiki/Mud xref: LTER:356 xref: SWEETRealm:Mud is_a: ENVO:00010483 ! environmental material relationship: has_part ENVO:00001998 ! soil relationship: has_part ENVO:00002006 ! liquid water [Term] id: ENVO:01000016 name: silt def: "Particulate environmental material which is primarily composed of silt particles." [https://en.wikipedia.org/wiki/Silt] comment: This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider this soil material that contains 80% or more silt and less than 12% clay. In the Udden-Wentworth scale (due to Krumbein), silt particles range between 0.0039 to 0.0625 mm, larger than clay but smaller than sand particles. ISO 14688 grades silts between 0.002 mm and 0.063 mm. In actuality, silt is chemically distinct from clay, and unlike clay, grains of silt are approximately the same size in all dimensions; furthermore, their size ranges overlap. Clays are formed from thin plate-shaped particles held together by electrostatic forces, so present a cohesion. According to the U.S. Department of Agriculture Soil Texture Classification system, the sand-silt distinction is made at the 0.05 mm particle size. The USDA system has been adopted by the Food and Agriculture Organization (FAO). In the Unified Soil Classification System (USCS) and the AASHTO Soil Classification system, the sand-silt distinction is made at the 0.075 mm particle size (i.e., material passing the #200 sieve). Silts and clays are distinguished mechanically by their plasticity. {xref="https://en.wikipedia.org/wiki/Silt", xref="https://sis.agr.gc.ca/cansis/glossary/t/index.html"} xref: EcoLexicon:silt xref: https://en.wikipedia.org/wiki/Silt xref: SWEETRealm:Silt is_a: ENVO:01000060 ! particulate environmental material relationship: has_characteristic PATO:0000150 ! texture relationship: has_part ENVO:00000343 ! particle of silt relationship: has_quality PATO:0000984 ! porous property_value: IAO:0000116 "Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible." xsd:string [Term] id: ENVO:01000017 name: sand def: "A naturally occurring granular material composed of finely divided rock and mineral particles." [] def: "Particulate environmental material which is composed primarily of particles of sand with only minor proportions of other substances." [https://en.wikipedia.org/wiki/Sand] comment: This definition is intentionally ambiguous to support the multiple thresholds set by different authorities. Some authorities consider as sands soil material that contains 85% or more sand; the percentage of silt plus 1.5 times the percentage of clay does not exceed 15. coarse sand (sable grossier) 25% or more very coarse and coarse sand, and less than 50% any other one grade of sand. {xref="https://sis.agr.gc.ca/cansis/glossary/t/index.html"} xref: EcoLexicon:sand xref: https://en.wikipedia.org/wiki/Sand xref: LTER:484 xref: SWEETRealm:Sand is_a: ENVO:01000060 ! particulate environmental material relationship: has_characteristic PATO:0000150 ! texture relationship: has_characteristic PATO:0000984 ! porous relationship: has_characteristic PATO:0001759 ! granular relationship: has_part ENVO:00000340 ! particle of sand property_value: IAO:0000116 "Do not oversimplify the particulate environmental material subclasses with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000018 name: gravel def: "An environmental material which is composed primarily of pieces of gravel." [https://en.wikipedia.org/wiki/Gravel] comment: As with all size-based classifications, there is considerable variation in what is considered gravel. xref: EcoLexicon:gravel xref: SWEETRealm:Gravel is_a: ENVO:00010483 ! environmental material relationship: has_part ENVO:00000341 ! piece of gravel relationship: has_quality PATO:0000984 ! porous relationship: has_quality PATO:0001759 ! granular [Term] id: ENVO:01000048 name: ocean biome def: "A marine biome which is determined by an ocean." [https://en.wikipedia.org/wiki/Ocean, ORCID:0000-0002-4366-3088] comment: Ocean biomes are determined by major bodies of saline water, principal components of the hydrosphere. Approximately 71% of the Earth's surface is covered by ocean, a continuous body of water that is customarily divided into several principal oceans and smaller seas. More than half of this area is over 3,000 metres (9,800 ft) deep. Average oceanic salinity is around 35 parts per thousand (ppt) (3.5%), and nearly all seawater has a salinity in the range of 30 to 38 ppt. subset: envoPolar is_a: ENVO:00000447 ! marine biome intersection_of: ENVO:00000428 ! biome intersection_of: RO:0002507 ENVO:00000015 ! determined by ocean relationship: RO:0002507 ENVO:00000015 ! determined by ocean created_by: ORCID:0000-0002-4366-3088 creation_date: 2010-03-15T11:23:23Z [Term] id: ENVO:01000057 name: marine algal bloom namespace: ENVO def: "A marine algal bloom is a rapid increase or accumulation in the population of algae in a marine system. Typically, only one or a small number of phytoplankton species are involved. Although there is no officially recognized threshold level, algae can be considered to be blooming at concentrations of hundreds to thousands of cells per milliliter, depending on the severity." [https://en.wikipedia.org/wiki/Algal_bloom, ORCID:0000-0002-4366-3088] subset: envoPolar synonym: "red tide" NARROW [https://en.wikipedia.org/wiki/Red_tide] xref: EcoLexicon:red_tide is_a: ENVO:2000004 ! algal bloom intersection_of: ENVO:2000004 ! algal bloom intersection_of: RO:0001025 ENVO:00000447 ! located in marine biome relationship: RO:0001025 ENVO:00000447 ! located in marine biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2010-03-16T12:12:30Z [Term] id: ENVO:01000060 name: particulate environmental material name: particulate matter def: "An environmental material which is composed primarily of particles." [] def: "Particulate material is an environmental material which is composed of microscopic portions of solid or liquid material suspended in another environmental material." [] subset: envoAtmo subset: envoPolar synonym: "particulate matter" BROAD [] is_a: ENVO:00010483 ! environmental material relationship: has_part ENVO:01003002 ! particle relationship: has_quality PATO:0001759 ! granular property_value: IAO:0000116 "Do not oversimplify this branch with design patterns or similar. The materials have properties that their components do not - write full definitions including these where possible." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000155 name: organic material def: "Environmental material derived from living organisms and composed primarily of one or more biomacromolecules." [ISBN:978-0-618-45504-1, ORCID:0000-0002-4366-3088] synonym: "biomass" EXACT [] xref: EcoLexicon:organic_material is_a: ENVO:00010483 ! environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: RO:0002473 CHEBI:33694 ! composed primarily of biomacromolecule relationship: RO:0002473 CHEBI:33694 ! composed primarily of biomacromolecule property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl created_by: ORCID:0000-0002-4366-3088 creation_date: 2010-03-20T08:40:04Z [Term] id: ENVO:01000174 name: forest biome def: "A forest ecosystem in which dominant ecological communities have reached their climax successional state." [] comment: Preliminary definition. xref: LTER:212 xref: SPIRE:Forest is_a: ENVO:01001243 ! forest ecosystem created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:26:46Z [Term] id: ENVO:01000176 name: shrubland biome def: "A shrubland biome is a terrestrial biome which includes, across its entire spatial extent, dense groups of shrubs." [] comment: Preliminary definition. is_a: ENVO:00000446 ! terrestrial biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:26:46Z [Term] id: ENVO:01000179 name: desert biome def: "A desert biome is a terrestrial biome which loses more liquid water by evapotranspiration than is supplied by precipitation and includes communities adapted to these conditions." [] comment: Preliminary definition. subset: wwfBiome xref: SPIRE:Desert_or_dune is_a: ENVO:01001780 ! desert ecosystem intersection_of: ENVO:01001780 ! desert ecosystem intersection_of: RO:0002507 PCO:0000002 ! determined by ecological community relationship: overlaps ENVO:00000097 ! desert area relationship: RO:0002507 PCO:0000002 ! determined by ecological community created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:26:46Z [Term] id: ENVO:01000203 name: environmental condition def: "An environmental condition is a range of a determinate quality or combination of qualities that are present in an environmental system." [DOI:10.1186/2041-1480-4-43] comment: A condition defines a restricted range of a given quality or combination of qualities. If an environment class, E, has_condition C, then all qualities listed in C are restricted to the ranges defined in C in E. This is not intended as a logical conditional. subset: envoPolar is_a: PATO:0001018 ! physical quality property_value: IAO:0000114 IAO:0000121 created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:35:18Z [Term] id: ENVO:01000216 name: montane shrubland biome def: "A montane shrubland biome is a shrubland biome which occurs in regions elevated above sea level and which has community structure determined by elevation-dependent environmental conditions." [] comment: Preliminary definition. subset: wwfBiome is_a: ENVO:01000176 ! shrubland biome is_a: ENVO:01001836 ! montane biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:40:32Z [Term] id: ENVO:01000219 name: anthropogenic terrestrial biome def: "An anthropogenic terrestrial biome is a terrestrial biome which has community structures determined by human activity." [http://www.eoearth.org/view/article/150128/] comment: Preliminary definition. synonym: "anthrome" EXACT [] synonym: "human biome" EXACT [] is_a: ENVO:00000446 ! terrestrial biome intersection_of: ENVO:00000446 ! terrestrial biome intersection_of: formed_as_result_of ENVO:01000952 ! anthropisation relationship: formed_as_result_of ENVO:01000952 ! anthropisation created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-07T14:45:22Z [Term] id: ENVO:01000230 name: arid def: "An environmental condition in which annual precipitation is less than half of annual potential evapotranspiration." [] subset: envoPolar xref: EcoLexicon:aridity is_a: ENVO:01000203 ! environmental condition created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-04-24T13:28:18Z [Term] id: ENVO:01000242 name: desert scrubland def: "A scrubland which is located in a desert." [ORCID:0000-0001-8743-9574] synonym: "desert scrub" EXACT [ORCID:0000-0001-8743-9574] is_a: ENVO:00000300 ! scrubland area intersection_of: ENVO:00000300 ! scrubland area intersection_of: has_quality ENVO:01000230 ! arid intersection_of: overlaps ENVO:00000097 ! desert area relationship: has_quality ENVO:01000230 ! arid relationship: overlaps ENVO:00000097 ! desert area creation_date: 2013-06-06T15:02:30Z [Term] id: ENVO:01000245 name: cropland biome def: "A cropland ecosystem in which dominant ecological communities are maintained in a stable state - mimicking a climax community - by human intervention." [http://dx.doi.org/10.1111/j.1466-8238.2010.00540.x, http://dx.doi.org/10.1890/070062] is_a: ENVO:01001244 ! cropland ecosystem relationship: formed_as_result_of ENVO:01000952 ! anthropisation created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-06-14T11:45:47Z [Term] id: ENVO:01000246 name: village biome def: "A village biome is an anthropogenic terrestrial biome which contains settlements such as villages, towns, and/or small cities and which is primarily used for agricultural activity." [DOI:10.1111/j.1466-8238.2010.00540.x, DOI:10.1890/070062] comment: Villages are also described as agricultural settlements with greater than 100 persons per square kilometre; however, no upper limit is defined. is_a: ENVO:01000219 ! anthropogenic terrestrial biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-06-14T11:45:47Z [Term] id: ENVO:01000247 name: rangeland biome def: "A rangeland biome is an anthropogenic terrestrial biome which is primarily used for the rearing and grazing of livestock." [DOI:10.1111/j.1466-8238.2010.00540.x, DOI:10.1890/070062] is_a: ENVO:01000219 ! anthropogenic terrestrial biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-06-14T11:45:47Z [Term] id: ENVO:01000248 name: dense settlement biome namespace: ENVO def: "A dense settlement biome is an anthropogenic terrestrial biome which is primarily used for human habitation, recreation, and industry within built structures with little other land use." [DOI:10.1111/j.1466-8238.2010.00540.x, DOI:10.1890/070062] is_a: ENVO:01000219 ! anthropogenic terrestrial biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-06-14T11:45:47Z [Term] id: ENVO:01000249 name: urban biome namespace: ENVO def: "An urban biome is a dense settlement biome which has been urbanised." [DOI:10.1111/j.1466-8238.2010.00540.x, DOI:10.1890/070062] xref: SPIRE:Urban is_a: ENVO:01000248 ! dense settlement biome created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-06-14T11:45:47Z [Term] id: ENVO:01000254 name: environmental system def: "A system which has the disposition to environ one or more material entities." [DOI:10.1186/2041-1480-4-43] comment: In ENVO's alignment with the Basic Formal Ontology, this class is being considered as a subclass of a proposed BFO class "system". The relation "environed_by" is also under development. Roughly, a system which includes a material entity (at least partially) within its site and causally influences that entity may be considered to environ it. Following the completion of this alignment, this class' definition and the definitions of its subclasses will be revised. synonym: "environment" EXACT [] xref: EcoLexicon:environment is_a: RO:0002577 ! system property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl creation_date: 2013-09-23T16:04:08Z [Term] id: ENVO:01000256 name: mineral material def: "A mineral material is an environmental material which is primarily composed of some substance that is naturally occurring, solid and stable at room temperature, representable by a chemical formula, usually abiogenic, and that has an ordered atomic structure." [https://en.wikipedia.org/wiki/Mineral] xref: LTER:341 is_a: ENVO:01000814 ! solid environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: RO:0002473 CHEBI:46662 ! composed primarily of mineral relationship: RO:0002473 CHEBI:46662 ! composed primarily of mineral property_value: IAO:0000116 "Look for \"mineral\" in a chemical or geochemical ontology to formalise the composed primarily of link.\nFrom https://en.wikipedia.org/wiki/ [A mineral] is different from a rock, which can be an aggregate of minerals or non-minerals and does not have a specific chemical composition. The exact definition of a mineral is under debate, especially with respect to the requirement a valid species be abiogenic, and to a lesser extent with regards to it having an ordered atomic structure." xsd:string created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-05T12:37:41Z [Term] id: ENVO:01000266 name: water vapour def: "Water vapour is a vapour which is the gas phase of water." [https://en.wikipedia.org/wiki/Water_vapor] comment: Perhaps a better relation between water vapour and water can be found in or added to RO? synonym: "aqueous vapor" EXACT [https://en.wikipedia.org/wiki/Water_vapor] synonym: "aqueous vapour" EXACT [https://en.wikipedia.org/wiki/Water_vapor] synonym: "water vapor" EXACT [https://en.wikipedia.org/wiki/Water_vapor] is_a: ENVO:01000797 ! gaseous environmental material relationship: RO:0002473 CHEBI:15377 ! composed primarily of water created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-10T07:58:18Z [Term] id: ENVO:01000267 name: atmosphere def: "An atmosphere is a layer of gases surrounding a material body of sufficient mass that is held in place by the gravity of the body." [https://en.wikipedia.org/wiki/Atmosphere, https://en.wikipedia.org/wiki/Physical_geography] xref: LTER:48 is_a: ENVO:01001678 ! fluid layer relationship: RO:0002220 ENVO:01000799 ! adjacent to astronomical body created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-10T08:14:50Z [Term] id: ENVO:01000268 name: atmospheric water vapour namespace: ENVO def: "Atmospheric water vapour is water vapour that is part of an atmosphere." [https://en.wikipedia.org/wiki/Water_vapor] subset: envoPolar synonym: "atmospheric water vapor" EXACT [https://en.wikipedia.org/wiki/Water_vapor] is_a: ENVO:01000266 ! water vapour intersection_of: ENVO:01000266 ! water vapour intersection_of: part_of ENVO:01000267 ! atmosphere relationship: has_role CHEBI:76413 ! greenhouse gas relationship: part_of ENVO:01000267 ! atmosphere created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-10T08:22:07Z [Term] id: ENVO:01000271 name: clastic sedimentary rock namespace: ENVO def: "Clastic sedimentary rocks are sedimentary rocks that are composed of silicate minerals and rock fragments that were transported by moving fluids. Clastic rocks are composed largely of quartz, feldspar, rock (lithic) fragments, clay minerals, and mica; numerous other minerals may be present as accessories and may be important locally." [https://en.wikipedia.org/wiki/Sedimentary_rock#Clastic_sedimentary_rocks] is_a: ENVO:00002016 ! sedimentary rock created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-12T14:51:19Z [Term] id: ENVO:01000274 name: slate def: "Slate is a metamorphic rock which is fine-grained, foliated, homogeneous, Slates are derived from clastic sedimentary rocks." [https://en.wikipedia.org/wiki/Slate] is_a: ENVO:00002017 ! metamorphic rock relationship: RO:0001000 ENVO:01000271 ! derives from clastic sedimentary rock created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-12T14:51:19Z [Term] id: ENVO:01000276 name: ecoregion def: "A large unit of land or water containing a geographically distinct assemblage of species, natural communities, and environmental conditions." [DOI:10.1641/0006-3568(2001)051[0933\:TEOTWA\]2.0.CO;2, URL:http\://worldwildlife.org/biomes] comment: Unlike biomes, ecoregions are geographically defined entities. ENVO's sister project, GAZ, contains terms for instances of ecoregions (e.g. Beringia lowland tundra). Requests for new terms should be directed to GAZ. ENVO will only contain this top-level class. The class' definition is preliminary and will be aligned to BFO. subset: envoPolar is_a: ENVO:01001110 ! ecosystem relationship: part_of ENVO:01000280 ! ecozone created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-12T17:21:09Z [Term] id: ENVO:01000277 name: water ice def: "Ice which is formed from water." [https://en.wikipedia.org/wiki/Ice] comment: Water ice can appear transparent or opaque bluish-white color, depending on the presence of impurities or air inclusions. The addition of other materials such as soil may further alter its appearance.\n\nWhen speaking about ice on Earth, usually water ice is meant - the solid, crystalline form of water found in the atmosphere as snow crystals, hail, ice pellets, etc., and on the earth's surface in forms such as hoarfrost, rime, glaze, sea ice, glacier ice, ground ice, frazil, anchor ice, etc.\n\nThis form of water is, strictly speaking, called ice Ih, the Roman numeral I distinguishing it from more than a dozen other phases and the letter h distinguishing it from the metastable cubic phase ice Ic. Ice Ih is the only one of the several known phases of water ice that is stable at commonly occurring temperatures and pressures. (Some of the other forms have very unusual properties, ice VII, for example, being stable only at pressures above 22 400 kg/cm^2, but then existing at temperatures up to about 100C.)\n\nIt has an open structure with a specific gravity of 0.9166 which is slightly less than water; because the water molecules bond to their neighbors covalently only in four directions; it therefore floats on higher density water, where broken molecular bonds permit closer packing. All commonly occurring forms of ice are crystalline, although large single crystals are relatively rare except in glaciers. The ice crystal lattice possesses hexagonal symmetry that manifests itself in the gross forms of such single crystals as are sometimes found in snow. At an air pressure of one atmosphere, ice melts at 0 C by definition of the Celsius temperature scale. (Strictly speaking the equilibrium point among water, ice, and vapor occurs at +0.01C, the triple point.) On the other hand, ice does not invariably form in liquid water cooled below this temperature; it has a tendency to supercool, more so in the absence of ice nuclei.\n\nIn permafrost regions, ice may occupy voids in soils and rocks and may develop in a variety of forms. Ice may be colourless to pale blue or greenish-blue. It may appear white due to included gas bubbles; in exposures, ground ice may also appear black.\n\nIn nature ice is formed either by: (a) the freezing of water, (b) the condensation of atmospheric water vapour direct into ice crystals, (c) the compaction of snow with or without the motion of a glacier, or (d) the impregnation of porous snow masses with water which subsequently freeze. subset: envoPolar synonym: "ice" RELATED [http://www.eionet.europa.eu/gemet/concept/4131] xref: http://sweetontology.net/matrWater/Ice xref: LTER:262 is_a: ENVO:01000814 ! solid environmental material is_a: ENVO:01001125 ! ice intersection_of: ENVO:01001125 ! ice intersection_of: RO:0002473 ENVO:00002006 ! composed primarily of liquid water relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2013-10-13T12:01:28Z [Term] id: ENVO:01000280 name: ecozone def: "Ecozones delineate large areas of a planetary surface within which organisms have been evolving in relative isolation over long periods of time, separated from one another by geographic features, such as oceans, broad deserts, or high mountain ranges, that constitute barriers to migration." [https://en.wikipedia.org/wiki/ecozone] comment: ENVO contains this top-level class, but all instances will be in GAZ. The definition is preliminary and will be aligned to BFO.\nhttps://en.wikipedia.org/wiki/ Ecozones correspond to the floristic kingdoms of botany or zoogeographic regions of zoology. Ecozones are characterized by the evolutionary history of the organisms they contain. They are distinct from biomes, also known as major habitat types, which are divisions of the Earth's surface based on life form, or the adaptation of plants and animals to climatic, soil, and other conditions. Biomes are characterized by similar climax vegetation. Each ecozone may include a number of different biomes. A tropical moist broadleaf forest in Central America, for example, may be similar to one in New Guinea in its vegetation type and structure, climate, soils, etc., but these forests are inhabited by plants and animals with very different evolutionary histories. subset: envoPolar is_a: ENVO:01001110 ! ecosystem relationship: part_of ENVO:01000817 ! biosphere created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-13T18:32:46Z [Term] id: ENVO:01000281 name: layer def: "A layer is a quantity of some material which is spatially continuous, has comparable thickness, and usually covers some surface." [Wiktionary:layer] comment: Preliminary definition. subset: envoPolar is_a: BFO:0000040 ! material entity relationship: has_quality PATO:0002124 ! laminar property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-15T16:42:02Z [Term] id: ENVO:01000283 name: lake layer namespace: ENVO def: "A layer which is part of a lake." [] comment: Note that this class does not contain metalimnion as a subclass. The metaliminon is classified as a thermocline. subset: envoPolar is_a: ENVO:01000325 ! aquatic layer intersection_of: ENVO:01000325 ! aquatic layer intersection_of: part_of ENVO:00000020 ! lake relationship: part_of ENVO:00000020 ! lake created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-15T16:57:43Z [Term] id: ENVO:01000293 name: ice mass def: "A mass of water ice." [] subset: envoPolar synonym: "accumulation of ice" BROAD [] synonym: "ice accumulation" BROAD [] xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:01001687 ! mass of solid material intersection_of: ENVO:01001687 ! mass of solid material intersection_of: RO:0002473 ENVO:01000277 ! composed primarily of water ice relationship: part_of ENVO:03000143 ! cryosphere relationship: RO:0002473 ENVO:01000277 ! composed primarily of water ice property_value: IAO:0000116 "Class should be populated by inference and asserted subclasses redistributed." xsd:string created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-15T19:49:11Z [Term] id: ENVO:01000295 name: marine layer def: "A layer that is part of a marine water body." [ORCID:0000-0002-4366-3088] subset: envoMarine subset: envoPolar is_a: ENVO:01000325 ! aquatic layer relationship: part_of ENVO:00001999 ! marine water body relationship: RO:0002473 ENVO:00002149 ! composed primarily of sea water created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000297 name: freshwater river namespace: ENVO def: "A river where fresh water flows." [ORCID:0000-0002-4366-3088] comment: Preliminary definition. is_a: ENVO:00000022 ! river intersection_of: ENVO:00000022 ! river intersection_of: has_part ENVO:00002011 ! fresh water relationship: has_part ENVO:00002011 ! fresh water created_by: ORCID:0000-0002-4366-3088 creation_date: 2013-10-16T12:56:48Z [Term] id: ENVO:01000303 name: endolithic environment def: "An endolithic environment is an environment that exists within solid rock." [] is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002219 ENVO:00001995 ! surrounded by rock relationship: RO:0002219 ENVO:00001995 ! surrounded by rock [Term] id: ENVO:01000304 name: high pressure environment def: "A high pressure environment is an environment in which all material entities are exposed to a high ratio of force per unit area." [] is_a: ENVO:01000997 ! environmental system determined by a quality intersection_of: ENVO:01000997 ! environmental system determined by a quality intersection_of: has_quality PATO:0001576 ! increased pressure relationship: has_quality PATO:0001576 ! increased pressure [Term] id: ENVO:01000305 name: high temperature environment def: "A high temperature environment is an environment in which material entities are exposed to increased levels of heat radiation or which have molecules or atoms moving randomly with increased levels of average kinietic energy." [] is_a: ENVO:01000997 ! environmental system determined by a quality intersection_of: ENVO:01000997 ! environmental system determined by a quality intersection_of: has_quality PATO:0001305 ! increased temperature relationship: has_quality PATO:0001305 ! increased temperature [Term] id: ENVO:01000306 name: freshwater environment def: "An aquatic environment which is determined by freshwater." [] subset: envoEmpo subset: envoOmics subset: envoPolar synonym: "fresh water environment" EXACT [] is_a: ENVO:01000317 ! aquatic environment intersection_of: ENVO:01000317 ! aquatic environment intersection_of: RO:0002507 ENVO:00002011 ! determined by fresh water relationship: RO:0002507 ENVO:00002011 ! determined by fresh water property_value: IAO:0000118 "Water (non-saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01000307 name: saline water environment def: "An environmental system which has its properties and dynamics determined by saline water." [] subset: envoEmpo subset: envoOmics subset: envoPolar is_a: ENVO:01000317 ! aquatic environment is_a: ENVO:01001040 ! saline environment intersection_of: ENVO:01000317 ! aquatic environment intersection_of: RO:0002507 ENVO:00002010 ! determined by saline water relationship: RO:0002507 ENVO:00002010 ! determined by saline water property_value: IAO:0000118 "Water (saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01000309 name: cold environment def: "An environment which has a lower temperature than some local or global average." [] comment: The definition of the deprecated 'cold temperature habitat' class, which this class was derived from, quotes an upper threshold of 15 degrees Celsius for 'coldness'. subset: envoPolar is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: has_quality PATO:0001306 ! decreased temperature relationship: has_quality PATO:0001306 ! decreased temperature [Term] id: ENVO:01000313 name: anthropogenic environment def: "An anthropogenic environment is an environmental system which is the product of human activity." [] comment: Unsatisfactory definition here. Must consider the threshold that makes an environmental system anthropogenic. is_a: ENVO:01000254 ! environmental system [Term] id: ENVO:01000314 name: high osmolarity environment def: "A high osmolarity environment is an environment in which entities are exposed to high concentrations of solutes." [] is_a: ENVO:01000997 ! environmental system determined by a quality intersection_of: ENVO:01000997 ! environmental system determined by a quality intersection_of: has_quality PATO:0001657 ! increased osmolarity relationship: has_quality PATO:0001657 ! increased osmolarity [Term] id: ENVO:01000315 name: acidic environment def: "An acidic environment is an environment in which material entities are exposed to a low pH." [] is_a: ENVO:01000997 ! environmental system determined by a quality [Term] id: ENVO:01000317 name: aquatic environment def: "An environment whose dynamics are strongly influenced by water." [] is_a: ENVO:01000997 ! environmental system determined by a quality is_a: ENVO:01000998 ! environmental system determined by a material intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00002006 ! determined by liquid water relationship: RO:0002507 ENVO:00002006 ! determined by liquid water [Term] id: ENVO:01000318 name: extreme high temperature environment def: "An extreme high temperature environment is a high temperature environment in which entities are exposed to temperatures above 80 degrees Celsius." [] comment: The lower threshold, 80 degrees Celsius, is derived from the definition of the obsolete class "extreme high temperature habitat" which this class replaces. is_a: ENVO:01000305 ! high temperature environment [Term] id: ENVO:01000319 name: rocky slope def: "A rocky slope is a slope which has a surface primarily composed of rock." [] is_a: ENVO:00002000 ! slope [Term] id: ENVO:01000320 name: marine environment def: "A marine environment and enviroment which is determined by a marine water body." [NM:nm] subset: envoPolar is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00001999 ! determined by marine water body relationship: RO:0002507 ENVO:00001999 ! determined by marine water body [Term] id: ENVO:01000321 name: sea water environment def: "An environmental system determined by seawater." [] subset: envoPolar synonym: "ocean water environment" EXACT [] is_a: ENVO:01000307 ! saline water environment intersection_of: ENVO:01000307 ! saline water environment intersection_of: RO:0002507 ENVO:00002149 ! determined by sea water relationship: RO:0002507 ENVO:00002149 ! determined by sea water [Term] id: ENVO:01000323 name: atmospheric boundary layer def: "The atmospheric boundary layer is the lowest layer of an atmosphere which is strongly influenced by its contact with a planetary surface with strong vertical mixing and in which physical quantities such as flow velocity, temperature, and moisture display rapid fluctuations (turbulence)." [] subset: envoPolar synonym: "planetary boundary layer" EXACT [] is_a: ENVO:01000543 ! atmospheric layer is_a: ENVO:01000544 ! boundary layer relationship: RO:0002007 ENVO:01000267 ! bounding layer of atmosphere relationship: RO:0002220 ENVO:01000324 ! adjacent to planetary surface [Term] id: ENVO:01000324 name: planetary surface def: "A planetary surface is a surface layer where the solid or liquid material of a planet comes into contact with an atmosphere or outer space." [] comment: a useful class: this can be used to define sub-terrestrial and sub-marine entities is_a: ENVO:01001483 ! surface of an astronomical body intersection_of: ENVO:01001483 ! surface of an astronomical body intersection_of: part_of ENVO:01000800 ! planet relationship: part_of ENVO:01000800 ! planet [Term] id: ENVO:01000325 name: aquatic layer def: "A layer in a water mass, itself composed primarily of water." [] comment: This class will eventually be populated by inference, and its asserted subclasses removed. subset: envoPolar is_a: ENVO:01001273 ! liquid layer intersection_of: ENVO:01001273 ! liquid layer intersection_of: RO:0002473 ENVO:00002006 ! composed primarily of liquid water relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water [Term] id: ENVO:01000332 name: gravelly slope def: "A gravelly slope is a slope which has a surface primarily composed of gravel." [] is_a: ENVO:00002000 ! slope [Term] id: ENVO:01000334 name: talus slope def: "A talus slope is a slope which has a surface layer composed of scree." [] synonym: "scree slope" EXACT [] is_a: ENVO:00002000 ! slope [Term] id: ENVO:01000340 name: alpine def: "An altitudinal condition which inheres in a bearer by virtue of the bearer having a monthly mean temperature is less than 10 degrees Celsius and being located at altitudes above the tree line and below the snowline." [https://en.wikipedia.org/wiki/Altitudinal_zonation] comment: Requested term with preliminary def. See Issue 29 on the envo tracker. subset: envoPolar xref: LTER:26 is_a: ENVO:01000343 ! altitudinal condition created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000342 name: montane def: "An altitudinal condition which inheres in a bearer by virtue of the bearer being located at an altitude between mid-altitude forests and the tree line." [https://en.wikipedia.org/wiki/Altitudinal_zonation] comment: The exact level of the tree line varies with local climate, but typically the tree line is found where mean monthly soil temperatures never exceed 10.0 degrees C and the mean annual soil temperatures are around 6.7 degrees C. In the tropics, this region is typified by montane rain forest (above 3,000 ft) while at higher latitudes coniferous forests often dominate. {xref="https://en.wikipedia.org/wiki/Altitudinal_zonation"} subset: envoPolar xref: LTER:350 is_a: ENVO:01000343 ! altitudinal condition created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000343 name: altitudinal condition def: "An altitudinal condition is an environmental condition in which ranges of factors such as temperature, humidity, soil composition, solar irradiation, and tree density vary with ranges in altitude." [https://en.wikipedia.org/wiki/Altitudinal_zonation] comment: Depending on the latitude (and, to a lesser extent, other factors), the actual location of the zones where these conditions are in effect will change. subset: envoPolar is_a: ENVO:01000203 ! environmental condition created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000352 name: field def: "An unbroken expanse (as of ice)" [http://www.merriam-webster.com/dictionary/field] comment: This class was created to accommodate "fields" from agricultural fields to marine mesoscale eddy fields. Thus, it has a very broad definition which makes it less than informative when annotating. Please consider using or requesting an appropriate subclass. subset: envoPolar is_a: ENVO:01000813 ! astronomical body part created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000355 name: vegetation layer def: "A layer which is determined by a form of vegetation." [] comment: Usually found in woodlands and forests. synonym: "forest layer" RELATED [] synonym: "forest stratum" RELATED [] synonym: "woodland layer" RELATED [] synonym: "woodland stratum" RELATED [] is_a: ENVO:01000281 ! layer intersection_of: ENVO:01000281 ! layer intersection_of: RO:0002473 NCBITaxon:33090 ! composed primarily of Viridiplantae relationship: RO:0002473 NCBITaxon:33090 ! composed primarily of Viridiplantae [Term] id: ENVO:01000358 name: acidic water def: "A portion of acidic water is a portion of water with a pH less than 7." [] is_a: ENVO:00002006 ! liquid water intersection_of: ENVO:00002006 ! liquid water intersection_of: has_quality PATO:0001429 ! acidic relationship: has_quality PATO:0001429 ! acidic [Term] id: ENVO:01000371 name: agricultural waste material def: "Agricultural waste is waste produced as a result of various agricultural operations. It includes manure and other wastes from farms, poultry houses and slaughterhouses; harvest waste; fertilizer run- off from fields; pesticides that enter into water, air or soils; and salt and silt drained from fields." [http://stats.oecd.org/glossary/detail.asp?ID=77, ISBN:978-92-1-161386-5] comment: As with other wastes, this is more a role than a material in itself. This should be revised. synonym: "agricultural waste" BROAD [] is_a: ENVO:00002264 ! waste material [Term] id: ENVO:01000373 name: biological waste material def: "Biological waste is waste containing mostly natural organic materials (remains of plants, animal excrement, biological sludge from waste-water treatment plants and so forth)." [http://stats.oecd.org/glossary/detail.asp?ID=3097, ISBN:978-92-1-161386-5] synonym: "biological waste" BROAD [] is_a: ENVO:00002264 ! waste material relationship: RO:0002473 ENVO:00002873 ! composed primarily of organic waste material property_value: IAO:0000116 "This will become a defined class, with subclasses added through inference based on material having a 'waste role' and being composed primarily of some organic or biological matter." xsd:string [Term] id: ENVO:01000405 name: respirable suspended particulate matter def: "A portion of respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 10 micrometers or less." [https://en.wikipedia.org/wiki/Particulates] synonym: "PM10" EXACT [] is_a: ENVO:01001089 ! aerosolised solids is_a: ENVO:01001646 ! amorphous solid [Term] id: ENVO:01000406 name: snow def: "Snow is an environmental material which is primarily composed of flakes of crystalline water ice." [http://www.eionet.europa.eu/gemet/concept/7769, https://en.wikipedia.org/wiki/Snow] subset: envoPolar is_a: ENVO:00010483 ! environmental material relationship: has_part ENVO:00002005 ! air relationship: output_of ENVO:01000895 ! snowfall relationship: RO:0002473 ENVO:01000277 ! composed primarily of water ice [Term] id: ENVO:01000408 name: environmental zone def: "A site which has its extent determined by the presence or influence of one or more components of an environmental system or the processes occurring therein." [] comment: Formerly, this class was an experimental class and a subclass of "environmental feature". It is now aligned to BFO. The class was not obsoleted as the core semantics maintained their stability through its transition. subset: envoPolar synonym: "environmental area" RELATED [] is_a: BFO:0000029 ! site relationship: part_of ENVO:01000254 ! environmental system [Term] id: ENVO:01000415 name: fine respirable suspended particulate matter def: "A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 2.5 micrometers or less." [https://en.wikipedia.org/wiki/Particulates] synonym: "PM2.5" EXACT [] is_a: ENVO:01000405 ! respirable suspended particulate matter [Term] id: ENVO:01000416 name: ultrafine respirable suspended particulate matter def: "A portion of fine respirable suspended particulate matter is a form of particulate matter composed primarily of solid particles each with a diameter of 100 nanometers or less." [https://en.wikipedia.org/wiki/Particulates, https://en.wikipedia.org/wiki/Ultrafine_particle] comment: Regulations do not exist for this size class of ambient air pollution particles, which are far smaller than the regulated PM10 and PM2.5 particle classes and are believed to have several more aggressive health implications than those classes of larger particulates. is_a: ENVO:01000415 ! fine respirable suspended particulate matter [Term] id: ENVO:01000420 name: building part def: "A building part is a construction which is part of a building." [] comment: Not recommended for annotation. This class is likely to be made into an inferred class as its subclasses are distributed among more meaningful superclasses (i.e. ceiling is_a surface layer). See for example, "building floor". The boundaries between building parts may be bona fide or fiat. is_a: ENVO:00000070 ! human construction relationship: part_of ENVO:00000073 ! building [Term] id: ENVO:01000435 name: montane forest comment: A class created to group GFM 2000 terms by the dominant vegetation type. Definitions pending. is_a: ENVO:01001243 ! forest ecosystem [Term] id: ENVO:01000436 name: waterborne particulate matter def: "Particulate environmental material in which small portions of solid material are surrounded by water." [] is_a: ENVO:01000060 ! particulate environmental material relationship: RO:0002219 ENVO:00002006 ! surrounded by liquid water relationship: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material property_value: IAO:0000116 "This class should be populated by inference, relying on 'composed primarily of', many 'pieces of solid material' and 'surrounded by' some 'water'." xsd:string [Term] id: ENVO:01000451 name: atmospheric carbon dioxide def: "Atmospheric carbon dioxide is an environmental material composed of carbon dioxide in its gaseous form present in an atmosphere." [] comment: This could also be considered a part of an environmental material like air. subset: envoPolar is_a: ENVO:01000797 ! gaseous environmental material relationship: part_of ENVO:01000267 ! atmosphere relationship: RO:0002473 CHEBI:16526 ! composed primarily of carbon dioxide created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000452 name: environmental disposition def: "A disposition which is realised by an environmental system or system parts thereof." [] comment: This class and its subclasses are experimental and are being developed with NCEAS use cases in mind. is_a: BFO:0000016 ! disposition created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000457 name: masonry unit def: "A masonry unit is a solid piece of material, usually with a regular shape, used as a component in the construction of buildings. Masonry units are usually composed of brick, stone, marble, granite, travertine, limestone, cast stone, concrete block, glass block, stucco, tile, or cob." [https://en.wikipedia.org/wiki/Masonry] is_a: ENVO:00003074 ! manufactured product created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000458 name: concrete def: "Concrete is a composite material composed of an aggregate bonded together with a fluid cement which hardens over time." [https://en.wikipedia.org/wiki/Concrete] comment: Missing the class for "aggregate" - tricky to define what it is, exactly. Again, seems more like some sort of material/disposition hybrid. is_a: ENVO:0010001 ! anthropogenic environmental material relationship: has_part ENVO:01000462 ! masonry cement created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000459 name: asphalt concrete def: "Asphaltic concrete is a concrete which uses refined asphalt as a cement." [https://en.wikipedia.org/wiki/Concrete] synonym: "asphaltic concrete" EXACT [] synonym: "road pavement" EXACT [] is_a: ENVO:01000458 ! concrete relationship: has_part ENVO:01000461 ! refined asphalt created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000460 name: asphalt def: "Asphalt also known as bitumen is a sticky, black, and highly viscous liquid or semi-solid form of petroleum." [https://en.wikipedia.org/wiki/Asphalt] comment: This class refers to naturally-occuring asphalt or bitumen. synonym: "asphaltum" EXACT [] synonym: "bitumen" EXACT [] synonym: "crude bitumen" EXACT [] synonym: "pitch" RELATED [] synonym: "tar" RELATED [] is_a: ENVO:00002984 ! petroleum [Term] id: ENVO:01000461 name: refined asphalt def: "Refined asphalt is a sticky, black, and highly viscous liquid or semi-solid with a boiling point above 500 degrees Celsius, obtained from the fractional distillation of crude oil." [https://en.wikipedia.org/wiki/Asphalt] synonym: "refined bitumen" EXACT [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:01000815 ! liquid environmental material relationship: RO:0001000 ENVO:00002984 ! derives from petroleum created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000462 name: masonry cement def: "Masonry cement is a substance used in construction that has the disposition to set and harden and thus may be used to bind materials together." [https://en.wikipedia.org/wiki/Cement] comment: "Cement" refers more to a disposition than a specific material. synonym: "cement" BROAD [] is_a: ENVO:0010001 ! anthropogenic environmental material created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000474 name: brick material def: "A portion of brick material is a material derived from a brick which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete that has been fire-hardened or air-dried." [https://en.wikipedia.org/wiki/Brick] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:01000814 ! solid environmental material created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000475 name: brick def: "A brick is a masonry unit which is composed of kneaded clay-bearing soil, expanded clay aggregate, sand and lime, or concrete material, fire-hardened or air-dried." [https://en.wikipedia.org/wiki/Brick] comment: Generally used to refer to the masonry unit rather than a material. is_a: ENVO:01000457 ! masonry unit created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000476 name: plaster def: "Plaster is a building material which has the disposition to harden when it reacts with water, liberating heat through crystallization. Plaster is manufactured as a dry powder and is mixed with water to form a paste when used." [https://en.wikipedia.org/wiki/Plaster] synonym: "render" EXACT [] synonym: "stucco" EXACT [] is_a: ENVO:0010001 ! anthropogenic environmental material created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000478 name: cement plaster synonym: "cement render" EXACT [] synonym: "cement stucco" EXACT [] is_a: ENVO:01000476 ! plaster created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000479 name: lime plaster def: "Lime plaster is a plaster which is primarily composed of calcium hydroxide and an inert filler (such as sand). Coversion of the calcium hydroxide to calcium carbonate through a reaction with carbon dioxide in the air causes the plaster to set." [https://en.wikipedia.org/wiki/Plaster] synonym: "lime render" EXACT [] synonym: "lime stucco" EXACT [] synonym: "slaked lime plaster" EXACT [] is_a: ENVO:01000476 ! plaster created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000480 name: glass def: "Glass is an amorphous (non-crystalline) solid which is often transparent." [https://en.wikipedia.org/wiki/Glass] comment: This class refers to all forms of glass. For the familiar form present in window panes and drinking glasses, consider silica-based glass. is_a: ENVO:01000814 ! solid environmental material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000486 name: building floor def: "A building floor is a surface layer which is part of a building and used for walking." [] comment: To be more precise, a subfloor and a floor covering may be specified. Please request these classes and propose definitions if they are needed. is_a: ENVO:01001311 ! solid surface layer is_a: ENVO:01001483 ! surface of an astronomical body relationship: part_of ENVO:00000073 ! building created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000488 name: wooden building floor def: "A wooden building floor is a building floor that is composed primarily of wood." [] synonym: "wooden floor" BROAD [] synonym: "wooden parquet floor" NARROW [] is_a: ENVO:01000486 ! building floor is_a: ENVO:01001271 ! impermeable surface layer relationship: RO:0002473 ENVO:00002040 ! composed primarily of wood created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000489 name: concrete building floor def: "A concrete building floor is a building floor that is composed primarily of concrete" [] comment: At times, this is called a cement floor, although that is probably not accurate. synonym: "cement building floor" RELATED [] synonym: "cement floor" RELATED [] synonym: "concrete floor" BROAD [] is_a: ENVO:01000486 ! building floor is_a: ENVO:01001271 ! impermeable surface layer relationship: RO:0002473 ENVO:01000458 ! composed primarily of concrete created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000536 name: factory def: "A factory (previously manufactory) or manufacturing plant is an industrial site, usually consisting of buildings and machinery, or more commonly a complex having several buildings, where workers manufacture goods or operate machines processing one product into another." [https://en.wikipedia.org/wiki/Factory] synonym: "manufactory" EXACT [] synonym: "manufacturing plant" EXACT [] is_a: ENVO:00003861 ! industrial building created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000538 name: stratosphere def: "The layer of the atmosphere which is sandwiched between the troposphere and mesosphere. Of the energy that reaches the Earth from the sun, only 3% is absorbed in the stratosphere, but that includes the vitally important process of absorption of ultraviolet radiation by the stratospheric ozone layer. The stratosphere is cloudless and dust free, and almost unaffected by the turbulent conditions of the underlying level of the atmosphere. (Source: WRIGHT)" [GEMET:http\://www.eionet.europa.eu/gemet/concept/8128] comment: Definition from GEMET - will be refined. is_a: ENVO:01000543 ! atmospheric layer created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000539 name: mesosphere def: "The mesosphere is part of the earth's atmosphere which is between the stratosphere and the thermosphere in which temperature decreases with altitude to the atmosphere's absolute minimum" [http://www.merriam-webster.com/dictionary/mesosphere] is_a: ENVO:01000543 ! atmospheric layer created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000540 name: troposphere def: "The lowest of the concentric layers of the atmosphere, occurring between the Earth's surface and the tropopause. It is the zone where atmospheric turbulence is at its greatest and where the bulk of the Earth's weather is generated. It contains almost all the water vapour and aerosols and three-quarters of the total gaseous mass of the atmosphere. Throughout the troposphere temperature decreases with height at a mean rate of 6.5°C/km and the whole zone is capped by either an inversion of temperature or an isothermal layer at the tropopause. (Source: WHIT)" [GEMET:http\://www.eionet.europa.eu/gemet/concept/8695] comment: Definition from GEMET - will be refined. is_a: ENVO:01000543 ! atmospheric layer created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000541 name: thermosphere def: "The thermosphere is a part of the earth's atmosphere that begins at about 50 miles (80 kilometers) above the earth's surface, extends to outer space, and is characterized by steadily increasing temperature with height" [http://www.merriam-webster.com/dictionary/thermosphere] is_a: ENVO:01000543 ! atmospheric layer relationship: part_of ENVO:01000267 ! atmosphere relationship: RO:0002220 ENVO:01000539 ! adjacent to mesosphere [Term] id: ENVO:01000543 name: atmospheric layer def: "A layer that is part of the atmosphere." [] comment: This could be made into an inferred class, rather than having asserted subclasses. subset: envoPolar synonym: "atmospheric layering" RELATED [GEMET:http\://www.eionet.europa.eu/gemet/concept/627] is_a: ENVO:01001678 ! fluid layer intersection_of: ENVO:01001678 ! fluid layer intersection_of: part_of ENVO:01000267 ! atmosphere relationship: part_of ENVO:01000267 ! atmosphere relationship: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000544 name: boundary layer def: "A boundary layer is a layer of fluid in the immediate vicinity of a bounding surface where the effects of viscosity are significant enough to distort the surrounding non-viscous flow." [https://en.wikipedia.org/wiki/Boundary_layer] synonym: "boundary layer" EXACT [http://www.eionet.europa.eu/gemet/concept/976] is_a: ENVO:01001677 ! fluid interface layer relationship: RO:0002220 ENVO:00010504 ! adjacent to surface layer created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000547 name: glaze ice layer def: "A glaze ice layer is a smooth, transparent and homogeneous ice layer which coats some surface and which is formed when freezing rain or drizzle hits that surface." [https://en.wikipedia.org/wiki/Glaze_ice] synonym: "glaze" BROAD [] synonym: "glaze" RELATED [] synonym: "glaze ice" RELATED [http://www.eionet.europa.eu/gemet/concept/12091] is_a: ENVO:01001276 ! water ice layer relationship: formed_as_result_of ENVO:01000896 ! freezing rainfall created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01000552 name: natural gas def: "Natural gas is a hydrocarbon gas mixture consisting primarily of methane, but commonly includes varying amounts of other higher alkanes and sometimes a usually lesser percentage of carbon dioxide, nitrogen, and/or hydrogen sulfide. Natural gas is a fossil fuel formed when layers of buried plants and gases are exposed to intense heat and pressure over thousands of years." [https://en.wikipedia.org/wiki/Natural_gas] is_a: ENVO:01000554 ! hydrocarbon gas relationship: has_role CHEBI:35230 ! fossil fuel relationship: RO:0002473 CHEBI:16183 ! composed primarily of methane [Term] id: ENVO:01000553 name: liquefied petroleum gas def: "Liquified petroleum gas or liquid petroleum gas (LPG or LP gas), also referred to as simply propane or butane, are flammable mixtures of hydrocarbon gases used as fuel in heating appliances, cooking equipment, and vehicles." [https://en.wikipedia.org/wiki/Liquefied_petroleum_gas] synonym: "liquid petroleum gas" EXACT [] synonym: "liquified natural gas" RELATED [] synonym: "LP gas" EXACT [] synonym: "LPG" EXACT [] is_a: ENVO:01000558 ! liquefied hydrocarbon gas [Term] id: ENVO:01000554 name: hydrocarbon gas def: "A gas that is primarily composed of hydrocarbon molecules." [] subset: envoPolar is_a: ENVO:01000797 ! gaseous environmental material is_a: ENVO:2000045 ! hydrocarbon-based environmental material intersection_of: ENVO:01000797 ! gaseous environmental material intersection_of: has_quality PATO:0001547 ! quality of a gas intersection_of: RO:0002473 CHEBI:24632 ! composed primarily of hydrocarbon [Term] id: ENVO:01000557 name: liquefied natural gas def: "Liquefied natural gas (LNG) is natural gas (predominantly methane, CH4) that has been converted to liquid form for ease of storage or transport. It takes up about 1/600th the volume of natural gas in the gaseous state. It is odorless, colorless, non-toxic and non-corrosive. LNG achieves a higher reduction in volume than compressed natural gas (CNG) so that the (volumetric) energy density of LNG is 2.4 times greater than that of CNG or 60 percent of that of diesel fuel." [https://en.wikipedia.org/wiki/Liquefied_natural_gas] synonym: "liquified natural gas" EXACT [] synonym: "LNG" EXACT [] is_a: ENVO:01000558 ! liquefied hydrocarbon gas [Term] id: ENVO:01000558 name: liquefied hydrocarbon gas subset: envoPolar is_a: ENVO:01000815 ! liquid environmental material is_a: ENVO:2000045 ! hydrocarbon-based environmental material relationship: has_quality PATO:0001485 ! condensed relationship: has_quality PATO:0001576 ! increased pressure [Term] id: ENVO:01000560 name: charcoal def: "Charcoal is a light, black residue, consisting of carbon and any remaining ash, obtained by removing water and other volatile constituents from animal and vegetation substances. Charcoal is usually produced by slow pyrolysis, the heating of wood or other substances in the absence of oxygen." [https://en.wikipedia.org/wiki/Charcoal] is_a: ENVO:01000155 ! organic material is_a: ENVO:01000814 ! solid environmental material is_a: ENVO:2000045 ! hydrocarbon-based environmental material relationship: output_of ENVO:01000841 ! pyrolysis [Term] id: ENVO:01000575 name: wax def: "A wax is an environmental material which is primarily composed of lipids or other organic compounds that consist of long alkyl chains. Waxes are are malleable near ambient temperatures and melt at approximately 45 degrees Celsius." [https://en.wikipedia.org/wiki/Wax] is_a: ENVO:00010483 ! environmental material [Term] id: ENVO:01000599 name: river water is_a: ENVO:00002006 ! liquid water relationship: part_of ENVO:00000022 ! river [Term] id: ENVO:01000617 name: lentic water body def: "A lentic water body is a water body in which the accumulated water, in its totality, has very little to no directed flow." [] is_a: ENVO:00000063 ! water body [Term] id: ENVO:01000618 name: lotic water body def: "A lotic water body is a water body in which the accumulated water, in its totality, is flowing." [] is_a: ENVO:00000063 ! water body [Term] id: ENVO:01000624 name: hydrological condensation process def: "Hydrological condensation is a process in which atmospheric water vapour undergoes a phase transition from the gas phase to the liquid phase." [https://en.wikipedia.org/wiki/Condensation] comment: "process" is included in the label to make it clear that we are not referring to the condensed material (e.g. water droplets, window fog) subset: envoAtmo subset: envoPolar synonym: "condensation" BROAD [] is_a: ENVO:01000724 ! condensation process is_a: ENVO:02500031 ! hydrological process relationship: has_input ENVO:01000268 ! atmospheric water vapour relationship: has_output ENVO:00002006 ! liquid water [Term] id: ENVO:01000629 name: climate change def: "The long-term fluctuations in temperature, precipitation, wind, and all other aspects of the Earth's climate. External processes, such as solar-irradiance variations, variations of the Earth's orbital parameters (eccentricity, precession, and inclination), lithosphere motions, and volcanic activity, are factors in climatic variation. Internal variations of the climate system, e.g., changes in the abundance of greenhouse gases, also may produce fluctuations of sufficient magnitude and variability to explain observed climate change through the feedback processes interrelating the components of the climate system." [GEMET:http\://www.eionet.europa.eu/gemet/concept/1471] comment: Definition vebatim from GEMET. Will need to be refined. Further, distinction between "climate change" and (one or many) "climate change process" will need to be discussed. Fluctuations are not processes, per se. subset: envoPolar is_a: ENVO:02500000 ! environmental system process relationship: has_input ENVO:01001364 ! climate system [Term] id: ENVO:01000630 name: acidification of an aquatic environment def: "Acidification of an aquatic environment is a process whereby the pH of an aquatic environment, biome, or water body is lowered." [] is_a: ENVO:02500000 ! environmental system process [Term] id: ENVO:01000631 name: ocean acidification alt_id: LTER:962 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=962&/ocean-acidification"} def: "Ocean acidification is a process during which the pH of a sea or ocean is lowered." [] comment: On Earth, the major cause of ocean acidification is the update of carbon dioxide from the atmosphere. subset: envoPolar xref: LTER:962 is_a: ENVO:01000630 ! acidification of an aquatic environment [Term] id: ENVO:01000634 name: volcanic eruption def: "A volcanic eruption is a process during which lava, tephra (ash, lapilli, volcanic bombs and blocks), and assorted gases are expelled from a volcanic vent or fissure." [https://en.wikipedia.org/wiki/Types_of_volcanic_eruptions] subset: environmental_hazards is_a: ENVO:02500031 ! hydrological process is_a: ENVO:03000010 ! material transport process relationship: has_input ENVO:01000648 ! magma relationship: has_output CHEBI:16136 ! hydrogen sulfide relationship: has_output CHEBI:16526 ! carbon dioxide relationship: has_output CHEBI:17245 ! carbon monoxide relationship: has_output CHEBI:17883 ! hydrogen chloride relationship: has_output CHEBI:18276 ! dihydrogen relationship: has_output CHEBI:18422 ! sulfur dioxide relationship: has_output ENVO:01000266 ! water vapour [Term] id: ENVO:01000635 name: planetary landmass def: "A landmass which is part of a planet." [Adpated from https://en.wikipedia.org/wiki/Planetary_surface] synonym: "ground" RELATED [] synonym: "land" BROAD [] is_a: ENVO:01000324 ! planetary surface is_a: ENVO:01001782 ! landmass [Term] id: ENVO:01000637 name: outer space def: "Outer space is a hard vacuum containing a low density of particles, predominantly a plasma of hydrogen and helium as well as electromagnetic radiation, magnetic fields, neutrinos, dust and cosmic rays that exists between celestial bodies." [https://en.wikipedia.org/wiki/Outer_space] subset: envoAstro synonym: "space" BROAD [] is_a: ENVO:00010483 ! environmental material [Term] id: ENVO:01000638 name: planetary crust def: "A planetary crust is the outermost solid shell of a rocky planet or natural satellite, which is chemically distinct from the underlying mantle." [https://en.wikipedia.org/wiki/Crust_(geology)] comment: This class is meant to be applicable accross planets. Earth's crust would be an instance. synonym: "crust" BROAD [] is_a: ENVO:01000639 ! planetary structural layer relationship: has_quality PATO:0001546 ! quality of a solid [Term] id: ENVO:01000639 name: planetary structural layer def: "A planetary structural layer is laminar part of a terrestrial planet or other rocky body large enough to have differentiation by density. Planetary layers have differing physicochemical properties and composition." [] is_a: ENVO:01000281 ! layer relationship: part_of ENVO:01000800 ! planet property_value: IAO:0000116 "Label should be improved to match definition." xsd:string [Term] id: ENVO:01000640 name: planetary mantle def: "A planetary mantle is a planetary layer which is an interior part of a terrestrial planet or other rocky body large enough to have differentiation by density." [https://en.wikipedia.org/wiki/Mantle_(geology)] comment: This class is meant to be applicable accross planets. Earth's mantle would be an instance. synonym: "mantle" BROAD [] is_a: ENVO:01000639 ! planetary structural layer relationship: RO:0002220 ENVO:01000638 ! adjacent to planetary crust [Term] id: ENVO:01000646 name: lithosphere def: "A lithosphere is the outermost shell of a terrestrial-type planet or natural satellite that is defined by its rigid mechanical properties." [https://en.wikipedia.org/wiki/Lithosphere] comment: Earth's lithosphere includes the crust and uppermost mantle. is_a: ENVO:01000639 ! planetary structural layer is_a: ENVO:01001275 ! solid layer relationship: has_part ENVO:01000638 ! planetary crust relationship: has_quality PATO:0001545 ! inflexible [Term] id: ENVO:01000648 name: magma def: "Magma is a mixture of molten or semi-molten rock, volatiles, and solids that is found beneath the uppermost solid layer of a planetary body. Besides molten rock, magma may also contain suspended crystals, dissolved gas and sometimes gas bubbles." [https://en.wikipedia.org/wiki/Magma] is_a: ENVO:00010483 ! environmental material relationship: has_quality PATO:0001305 ! increased temperature relationship: RO:0001025 ENVO:01000639 ! located in planetary structural layer [Term] id: ENVO:01000650 name: stream channel def: "A channel of a watercourse which contains a stream." [] is_a: ENVO:00000395 ! channel of a watercourse [Term] id: ENVO:01000652 name: river channel def: "A stream channel which contains a river." [] is_a: ENVO:01000650 ! stream channel [Term] id: ENVO:01000658 name: dense settlement def: "A settlement with a high density of buildings and inhabitants." [] comment: The thresholds for what makes a settlment "dense" can be determined as needed. If there is a specific threshold that should be added to ENVO, please make a new class request. is_a: ENVO:00000062 ! populated place property_value: IAO:0000116 "See also: http://www.ecotope.org/anthromes/v1/guide/urban/12_dense_settlements/default.aspx" xsd:string [Term] id: ENVO:01000665 name: waste role def: "A role that is realized in some process wherein the bearer is discarded or not utilized further." [] is_a: BFO:0000023 ! role is_a: CHEBI:50906 ! role property_value: IAO:0000116 "This definition is preliminary." xsd:string [Term] id: ENVO:01000667 name: geological fracture def: "A geological fracture is any separation in a geologic formation, such as a joint or a fault that divides a mass of rock into two or more pieces." [https://en.wikipedia.org/wiki/Fracture_(geology)] synonym: "fissure" RELATED [Genomes:fissure] synonym: "fracture" BROAD [] xref: SWEETRealm:Fissure is_a: ENVO:00000191 ! solid astronomical body part [Term] id: ENVO:01000668 name: geological fault def: "A geological fault is a planar fracture or discontinuity in a volume of rock, across which there has been significant displacement as a result of rock mass movement." [] comment: The relationship between faults and active plate boundaries must be further developed, as there is some overlap. synonym: "fault" BROAD [] is_a: ENVO:01000667 ! geological fracture [Term] id: ENVO:01000669 name: active geological fault def: "An active fault is a fault that is likely to become the source of another earthquake sometime in the future. Geologists commonly consider faults to be active if there has been movement observed or evidence of seismic activity during the last 10,000 years." [] subset: environmental_hazards synonym: "active fault" EXACT [] is_a: ENVO:01000668 ! geological fault relationship: participates_in ENVO:01001093 ! tectonic movement [Term] id: ENVO:01000676 name: contaminated air def: "Contaminated air is air which has sufficient concentrations of environmental pollutants such that it may adversely affect a given ecosystem." [] is_a: ENVO:00002005 ! air [Term] id: ENVO:01000677 name: earthquake def: "An earthquake is a process during which energy is released in an astronomical body's crust, causing the displacement of crustal parts and the generation of seismic waves." [Adapted from URL:http\://www.britannica.com/science/earthquake-geology, https://en.wikipedia.org/wiki/Earthquake] comment: Elastic strain, gravity, chemical reactions, or even the motion of massive bodies can produce earthquakes. subset: environmental_hazards synonym: "quake" EXACT [] synonym: "temblor" RELATED [] synonym: "tremor" RELATED [] is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:01000678 name: tectonic earthquake def: "An earthquake caused by the sudden release of energy accumulated in an astronomical body's crust, as the elastic strain placed on constituent rock masses causes them to fracture." [URL:http\://www.britannica.com/science/earthquake-geology] subset: environmental_hazards is_a: ENVO:01000677 ! earthquake relationship: causally_downstream_of_or_within ENVO:01001093 ! tectonic movement relationship: has_part ENVO:01001767 ! structural collapse process [Term] id: ENVO:01000680 name: polluted lake def: "A lake which has concentrations of environmental contaminants high enough to harm the ecosystems associated with it." [] subset: environmental_hazards is_a: ENVO:00000020 ! lake intersection_of: ENVO:00000020 ! lake intersection_of: RO:0002473 ENVO:00002186 ! composed primarily of contaminated water relationship: RO:0002473 ENVO:00002186 ! composed primarily of contaminated water [Term] id: ENVO:01000685 name: water mass def: "A mass of water." [] is_a: ENVO:01001476 ! body of liquid relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water [Term] id: ENVO:01000687 name: coast def: "A coast is the area where land meets the sea, ocean, or lake." [https://en.wikipedia.org/wiki/Coast] comment: Used for both marine and lake coasts. The boundary of the coast is fuzzy and it overlaps both the water body and land in quesiton. Compared to 'shore' is_a: ENVO:01001784 ! compound astronomical body part relationship: overlaps ENVO:01000635 ! planetary landmass [Term] id: ENVO:01000689 name: tsunami def: "A tsunami is a process during which a series of waves is generated in a water body, typically an ocean or large lake, by the displacement of a large volume of water. Earthquakes, volcanic eruptions and other underwater explosions (including detonations of underwater nuclear devices), landslides, glacier calvings, meteorite impacts and other disturbances above or below water all have the potential to generate a tsunami." [https://en.wikipedia.org/wiki/Tsunami] subset: environmental_hazards synonym: "seismic sea wave" EXACT [] synonym: "tidal wave" EXACT [] is_a: ENVO:01000981 ! mass liquid flow [Term] id: ENVO:01000690 name: mass wasting def: "Mass wasting is the geomorphic process by which solid environmental material such as soil, sand, regolith, and/or rock move downslope typically as a mass, largely under the force of gravity, but frequently affected by water and water content as in submarine environments and mudslides." [https://en.wikipedia.org/wiki/Mass_wasting] comment: Of interest for future development: Some causes of mass wasting earthquakes, increased overburden from structures, increased soil moisture, reduction of roots holding the soil to bedrock, undercutting of the slope by excavation or erosion, weathering by frost heave, bioturbation, volcanic edifice over-steepening. Some processes that reduce mass wasting: Afforestation, Reforestation, Terracing steps on slopes (reduce angle of slope). https://en.wikipedia.org/wiki/Mass_wasting. subset: environmental_hazards subset: envoPolar synonym: "mass movement" BROAD [] synonym: "slope movement" EXACT [] is_a: ENVO:03000010 ! material transport process relationship: has_part ENVO:03000009 ! material accumulation process relationship: has_part ENVO:03000016 ! material decumulation process [Term] id: ENVO:01000692 name: landslide process def: "A landslide is a process whereby a large mass of earth and rocks moves down a hill or a mountainside." [https://en.wikipedia.org/wiki/Mass_wasting] subset: environmental_hazards synonym: "landslip" EXACT [] xref: GEMET:http\://www.eionet.europa.eu/gemet/concept/4668 is_a: ENVO:01000690 ! mass wasting [Term] id: ENVO:01000695 name: mudslide subset: environmental_hazards is_a: ENVO:01000690 ! mass wasting [Term] id: ENVO:01000701 name: volcanic ash def: "Volcanic ash is an environmental material which consists of fragments of pulverized rock, minerals, and volcanic glass, created during volcanic eruptions and measuring less than 2 millimetres in diameter. Volcanic ash is formed during explosive volcanic eruptions, phreatomagmatic eruptions and during transport in pyroclastic density currents." [https://en.wikipedia.org/wiki/Volcanic_ash] is_a: ENVO:02000090 ! ash intersection_of: ENVO:02000090 ! ash intersection_of: output_of ENVO:01000634 ! volcanic eruption relationship: output_of ENVO:01000634 ! volcanic eruption relationship: RO:0002473 CHEBI:30563 ! composed primarily of silicon dioxide [Term] id: ENVO:01000703 name: hydrological precipitation process def: "Hydrological precipitation is a process during which any product of the condensation of atmospheric water vapour is pulled to the planetary surface by gravity." [https://en.wikipedia.org/wiki/Precipitation] comment: "process" is included in the label to make it clear that we are not referring to the precipitated material (e.g. snow, rain, sleet) synonym: "precipitation" BROAD [] is_a: ENVO:01000875 ! precipitation process [Term] id: ENVO:01000705 name: soil degradation def: "Soil degradation is a process which results in a change in soil health status resulting in a diminished capacity of the ecosystem in which the soil occurs to provide goods and services for its beneficiaries." [FAO:http\://www.fao.org/soils-portal/soil-degradation-restoration/en/] is_a: ENVO:02500005 ! land degradation [Term] id: ENVO:01000707 name: coastal flooding def: "Coastal flooding is a process in which normally dry, low-lying land near a coast is flooded by sea water." [https://en.wikipedia.org/wiki/Coastal_flood] subset: environmental_hazards is_a: ENVO:02500002 ! flooding [Term] id: ENVO:01000708 name: riverine flooding def: "Riverine flooding is a process in which the flow rate of river water exceeds the capacity of its channel, thus flooding neighbouring land. Bends and meanders in a river channel are particularly disposed to such flooding." [https://en.wikipedia.org/wiki/Flood#Riverine] subset: environmental_hazards is_a: ENVO:02500002 ! flooding property_value: IAO:0000116 "A disposition class such as 'flooding disposition' may be interesting, especially when attached to things like meanders and bends." xsd:string [Term] id: ENVO:01000709 name: flash flooding def: "Flash flooding is a process in which low-lying land is inundated with water for a short period of time and are usually the result of precipitation or a breach in the container of a water body." [https://en.wikipedia.org/wiki/Flash_flood] comment: Flash floods generally last no more than six hours. http://www.srh.noaa.gov/mrx/hydro/flooddef.php subset: environmental_hazards is_a: ENVO:02500002 ! flooding [Term] id: ENVO:01000710 name: flood def: "An unusual accumulation of water above the ground caused by high tide, heavy rain, melting snow or rapid runoff from paved areas." [GEMET:http\://www.eionet.europa.eu/gemet/concept/3298] subset: environmental_hazards is_a: ENVO:00000063 ! water body relationship: formed_as_result_of ENVO:02500002 ! flooding [Term] id: ENVO:01000711 name: coastal flood def: "A coastal flood is a flood which is formed as a result of large amounts of water from marine water bodies or large lakes being transported to usually dry land by displacement processes such as high winds or seismic activity." [https://en.wikipedia.org/wiki/Flood#Estuarine_and_coastal] subset: environmental_hazards is_a: ENVO:01000710 ! flood relationship: formed_as_result_of ENVO:01000707 ! coastal flooding relationship: overlaps ENVO:01000687 ! coast [Term] id: ENVO:01000713 name: flash flood def: "A flash flood is a flood formed by the rapid flooding of geomorphic low-lying areas. It may be caused by heavy rain associated with a severe thunderstorm, hurricane, tropical storm, or meltwater from ice or snow flowing over ice sheets or snowfields. Flash floods may also occur after the collapse of a natural ice or debris dam, or a human structure such as a man-made dam. Flash floods are distinguished from a regular flood by a timescale of less than six hours." [https://en.wikipedia.org/wiki/Flash_flood] subset: environmental_hazards is_a: ENVO:01000710 ! flood relationship: formed_as_result_of ENVO:01000709 ! flash flooding [Term] id: ENVO:01000714 name: storm surge def: "A storm surge is a coastal flood which is caused by low-pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides." [https://en.wikipedia.org/wiki/Storm_surge] subset: environmental_hazards is_a: ENVO:01000711 ! coastal flood relationship: formed_as_result_of ENVO:01000716 ! storm surge process property_value: IAO:0000116 "Needs links to weather when these phenomena are added." xsd:string [Term] id: ENVO:01000715 name: meteotsunami def: "A meteotsunami is a tsunami caused by atmospheric processes and differences in air pressure." [https://en.wikipedia.org/wiki/Meteotsunami] subset: environmental_hazards synonym: "rissaga" EXACT [] {comment="Language: Catalan"} is_a: ENVO:01000689 ! tsunami property_value: IAO:0000116 "Ambiguity as to whether this label refers to the process or the material entities (the waves). The material entities are a type of severe storm surge." xsd:string [Term] id: ENVO:01000716 name: storm surge process def: "A storm surge process is a coastal flooding process which is caused by low pressure weather systems such as tropical cyclones and strong extratropical cyclones, the severity of which is affected by the shallowness and orientation of the water body relative to storm path, and the timing of tides." [https://en.wikipedia.org/wiki/Storm_surge] subset: environmental_hazards is_a: ENVO:01000707 ! coastal flooding property_value: IAO:0000116 "Should be linked to the relevant weather classes when these are created." xsd:string [Term] id: ENVO:01000717 name: areal flooding def: "Areal flooding is a flooding process in which flat or low-lying areas become inundated with water due to water input exceeding infiltration, evaporation, or run off." [https://en.wikipedia.org/wiki/Flood#Areal] subset: environmental_hazards is_a: ENVO:02500002 ! flooding [Term] id: ENVO:01000718 name: urban flooding def: "Urban flooding is a flooding process in which land or property in a built environment, particularly in more densely populated areas, is inundated due to the rate of water input exceeding that of water drainage provided by the environment's drainage systems." [https://en.wikipedia.org/wiki/Flood#Urban_flooding] subset: environmental_hazards is_a: ENVO:02500002 ! flooding property_value: IAO:0000116 "Relevant to built environments and can be linked to urban flows. Also relevant to water and sanitation SDGs." xsd:string [Term] id: ENVO:01000724 name: condensation process def: "Condensation is a process during which a gas undergoes a phase transition into a liquid." [https://en.wikipedia.org/wiki/Condensation] is_a: ENVO:01001510 ! material congelation process [Term] id: ENVO:01000726 name: desublimation process def: "Desublimation is a process in which a portion of some gas undergoes a phase transition into a portion of some solid." [https://en.wikipedia.org/wiki/Deposition_(phase_transition)] synonym: "deposition" BROAD [] is_a: ENVO:01001510 ! material congelation process [Term] id: ENVO:01000739 name: habitat def: "An environmental system which can sustain and allow the growth of an ecological population." [EnvO:EnvO] comment: A habitat's specificity to an ecological population differentiates it from other environment classes. xref: EcoLexicon:habitat xref: https://en.wikipedia.org/wiki/Habitat xref: LTER:238 xref: SWEETRealm:Habitat is_a: ENVO:01001110 ! ecosystem relationship: part_of ENVO:01000817 ! biosphere relationship: RO:0002507 PCO:0000001 ! determined by population of organisms [Term] id: ENVO:01000742 name: carbon-bearing gas emission process def: "A carbon emission process is any environmental process which outputs a carbon-bearing gas." [] comment: Requested for SDGIO. Likely to be revised. subset: envoPolar synonym: "carbon emission process" BROAD [] is_a: ENVO:03000093 ! hydrocarbon gas emission process [Term] id: ENVO:01000743 name: land consumption process def: "A process in which natural ecosystems present over an expanse of land are removed and replaced with anthropogenic ecosystems." [Adapted from EEA (1997) The concept of environmental space\, Copenhagen\, URL: http\://www.eea.europa.eu/publications/92-9167-078-2/at_download/file] comment: These anthropogenic ecosystems may include urban or other built-up settlements or anthropogenic ecosystems used for activities such as forestry or agriculture. is_a: ENVO:01000952 ! anthropisation property_value: IAO:0000116 "An SDGIO request. Likely to be refined and revised. This looks like an aggregate class, subsuming a range of processes which can lead to degradation." xsd:string [Term] id: ENVO:01000752 name: area of barren land alt_id: NLCD:31 def: "An area of a planet's surface which is primarily composed of bedrock, desert pavement, scarp rock, talus, material exposed by slides, volcanic material, glacial debris, sand, material exposed during strip mining, gravel, and other accumulations of earthen material in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction." [https://en.wikipedia.org/wiki/Exosphere, https://en.wikipedia.org/wiki/Planetary_surface, https://www.mrlc.gov/nlcd11_leg.php] comment: According to the NLCD 2011, areas of barren land generally have less than 15% cover of vegetation. A specific threshold is not asserted in this definition. subset: envoPolar subset: nlcd2011 is_a: ENVO:01001199 ! terrestrial environmental zone relationship: RO:0002220 ENVO:01000323 ! adjacent to atmospheric boundary layer property_value: IAO:0000116 "The range of entities that are considered \"barren land\" are not exhaustive, making axiomatisation risky at this stage." xsd:string property_value: IAO:0000118 "Barren Land (Rock/Sand/Clay)" xsd:string [Term] id: ENVO:01000755 name: aeroform def: "A part of an astronomical body which is primarily composed of a continuous volume of gaseous or aerosolised material held in shape by one or more environmental processes." [] comment: Similar, in spirit, to landform. This class may need to be split into aerosols and 'pure' volumes of gas. subset: envoAtmo is_a: ENVO:01001478 ! gaseous astronomical body part relationship: RO:0001025 ENVO:01000267 ! located in atmosphere property_value: IAO:0000116 "This may not need to be in the atmosphere, also note that \"meteor\" will do much of the same work." xsd:string [Term] id: ENVO:01000760 name: cloud def: "A cloud is a visible mass of aerosolised liquid droplets or frozen crystals suspended in an atmosphere above the surface of a planetary body." [https://cloudatlas.wmo.int/introduction-and-principles-of-cloud-classification.html, https://en.wikipedia.org/wiki/Cloud] comment: On Earth clouds are formed by the saturation of air in the homosphere when air cools or gains water vapor. Please use the "water-based cloud" class and its subclasses for Earth's clouds. Note that this class describes clouds as countable objects, rather than 'cloud material'. It also refers only to clouds made up of a water-based material. subset: envoAtmo synonym: "cloud mass" EXACT [] is_a: ENVO:01001008 ! meteor [Term] id: ENVO:01000769 name: carbon dioxide emission process def: "A carbon emission process is any environmental process which releases carbon dioxide gas into the atmosphere." [] comment: Requested for SDGIO. This class may be revised in future once the offical definitions become more clear. subset: envoPolar is_a: ENVO:01000742 ! carbon-bearing gas emission process relationship: causally_upstream_of_or_within ENVO:02500004 ! greenhouse effect [Term] id: ENVO:01000776 name: piece of plastic def: "A mass of solid material which is primarily composed of plastic." [] subset: envoPlastics synonym: "pedazo de plástico" EXACT [] synonym: "pezzo di plastica" EXACT [] synonym: "Plastikstück" EXACT [] is_a: ENVO:01001687 ! mass of solid material intersection_of: ENVO:01001687 ! mass of solid material intersection_of: RO:0002473 ENVO:06105112 ! composed primarily of synthetic plastic relationship: RO:0002473 ENVO:06105112 ! composed primarily of synthetic plastic property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0003-1072-8081 [Term] id: ENVO:01000785 name: material extraction process def: "A planned process during which a portion of environmental material is removed from a material entity." [] comment: Created for SDGIO and intended to be a more general form of resource extraction process. is_a: ENVO:02500000 ! environmental system process is_a: OBI:0000011 ! planned process relationship: has_part ENVO:03000010 ! material transport process [Term] id: ENVO:01000786 name: fire def: "A fire is a process whereby rapid and exothermic oxidation of a material through a combustion process releases heat, light, and other products." [http://www.eionet.europa.eu/gemet/en/concept/3212, https://en.wikipedia.org/wiki/Fire] comment: Not to be confused with a flame - the visible portion of gas released by a fire . Oxidation processes such as rusting or biological digestion are not subsumed here. is_a: ENVO:01000839 ! combustion process [Term] id: ENVO:01000792 name: mass gaseous flow def: "A process whereby a large volume of gas moves due to a disequilibrium of physical forces." [https://en.wikipedia.org/wiki/Wind] comment: This class refers to all forms of "wind": from the familiar movement of air in the Earth's atmosphere to the solar wind. Use a subclass to be more precise. subset: envoAtmo subset: envoPolar synonym: "wind" RELATED [] is_a: ENVO:01001747 ! mass fluid flow [Term] id: ENVO:01000793 name: atmospheric wind subset: envoAtmo subset: envoPolar synonym: "A mass gaseous flow which occurrs in a planet's atmosphere due to internal pressure disequilibria." RELATED [https://en.wikipedia.org/wiki/Wind] synonym: "wind" BROAD [] is_a: ENVO:01000792 ! mass gaseous flow is_a: ENVO:02500003 ! atmospheric process [Term] id: ENVO:01000797 name: gaseous environmental material def: "A material entity which is composed of one or more chemical entities and has neither independent shape nor volume but tends to expand indefinitely." [http://www.merriam-webster.com/dictionary/gas] synonym: "gas" NARROW [] is_a: ENVO:02000140 ! fluid environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: has_quality PATO:0001547 ! quality of a gas relationship: has_quality PATO:0001547 ! quality of a gas property_value: IAO:0000116 "This class is to be populated by inference." xsd:string [Term] id: ENVO:01000798 name: plasma def: "A material entity which is composed of a volume of unbound positive and negative particles in roughly equal numbers, conducts electricity, and possesses internal magnetic fields." [http://www.merriam-webster.com/dictionary/plasma, https://en.wikipedia.org/wiki/Plasma_%28physics%29] is_a: ENVO:02000140 ! fluid environmental material property_value: IAO:0000116 "An NTR for `quality of a plasma` has been posted on the PATO tracker: https://github.com/pato-ontology/pato/issues/88" xsd:string [Term] id: ENVO:01000799 name: astronomical body def: "An object which is naturally occuring, bound together by gravitational or electromagnetic forces, and surrounded by space." [https://en.wikipedia.org/wiki/Astronomical_object] comment: Astronomical bodies are usually cohesive, thus the use of the term 'object' sensu BFO 'object'. subset: envoAstro synonym: "celestial body" RELATED [] is_a: ENVO:01000804 ! astronomical object [Term] id: ENVO:01000800 name: planet def: "A planet is an astronomical body orbiting a star or stellar remnant that is massive enough to be rounded by its own gravity, is not massive enough to cause thermonuclear fusion, and has cleared its neighbouring region of planetesimals." [http://solarsystem.nasa.gov/planets/whatisaplanet, https://en.wikipedia.org/wiki/Planet] comment: Considerable debate on the definition of planet exists. subset: envoAstro subset: envoPolar is_a: ENVO:01000799 ! astronomical body [Term] id: ENVO:01000801 name: star def: "An astronomical object which is composed primarily of luminous plasma held in a spherical form by gravitational forces." [https://en.wikipedia.org/wiki/Star] subset: envoAstro subset: envoPolar is_a: ENVO:01000799 ! astronomical body is_a: ENVO:01001686 ! mass of environmental material relationship: RO:0002473 ENVO:01000798 ! composed primarily of plasma property_value: IAO:0000116 "Add qualities such as spherical. Request NTRs if not available in PATO." xsd:string [Term] id: ENVO:01000804 name: astronomical object def: "An object which is composed of one or more gravitationally bound structures that are associated with a position in space." [https://en.wikipedia.org/wiki/Astronomical_object] comment: If there is only one astronomical body involved, this class is equivalent to ENVO:01000799. This may be problematic with reasoning, but it seems to be true to the rather fuzzy definitions found thus far. subset: envoAstro synonym: "celestial object" RELATED [] is_a: BFO:0000030 ! object relationship: has_part ENVO:01000799 ! astronomical body relationship: has_quality ENVO:01001164 ! geodiversity relationship: RO:0002219 ENVO:01000637 ! surrounded by outer space [Term] id: ENVO:01000813 name: astronomical body part def: "A material part of an astronomical body." [] subset: envoAstro subset: envoPolar is_a: BFO:0000024 ! fiat object part relationship: part_of ENVO:01000799 ! astronomical body property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000814 name: solid environmental material def: "An environmental material which is in a solid state." [] comment: This is a defined class: its subclasses will not be asserted, but filled by inference. is_a: ENVO:00010483 ! environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: has_quality PATO:0001546 ! quality of a solid relationship: has_quality PATO:0001546 ! quality of a solid property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000815 name: liquid environmental material def: "An environmental material which is in a liquid state." [] comment: This is a defined class: most of its subclasses will not be asserted, but filled by inference. subset: envoPolar is_a: ENVO:02000140 ! fluid environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: has_quality PATO:0001548 ! quality of a liquid relationship: has_quality PATO:0001548 ! quality of a liquid property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000817 name: biosphere def: "A biosphere is a part of an astronomical body which includes, as parts, all the living entities within the gravitational sphere of influence of that body, as well as the non-living and dead entities with which they interact." [http://www.biology-online.org/dictionary/Biosphere, https://en.wikipedia.org/wiki/Biosphere] comment: The gravitational sphere of influence referenced in this class' definition is the Hill sphere: a region in which an object dominates the attraction of satellites despite gravitational perturbations. subset: envoAstro subset: envoPolar is_a: ENVO:01001784 ! compound astronomical body part relationship: has_part PCO:0000000 ! collection of organisms property_value: IAO:0000116 "Whether this class should be grouped with classes such as \"hydrosphere\" and \"cryosphere\" requires some discussion." xsd:string [Term] id: ENVO:01000819 name: hydrosphere def: "An astronomical body part which is composed of the combined mass of water found on, under, and over the surface of a planet." [https://en.wikipedia.org/wiki/Hydrosphere] comment: This is a very broad and, in practice, poorly defined term. Please consider using or requesting a more specific class. subset: envoAstro subset: envoPolar is_a: ENVO:01001477 ! liquid astronomical body part relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water [Term] id: ENVO:01000820 name: pedosphere def: "An astronomical body part which is composed of soil, subject to soil formation processes, and found on the surface of a lithosphere." [https://en.wikipedia.org/wiki/Pedosphere] comment: This is a very broad and, in practice, poorly defined term. Please consider using or requesting a more specific class. subset: envoAstro is_a: ENVO:01001784 ! compound astronomical body part relationship: overlaps ENVO:01000267 ! atmosphere relationship: overlaps ENVO:01000646 ! lithosphere relationship: overlaps ENVO:01000817 ! biosphere relationship: overlaps ENVO:01000819 ! hydrosphere relationship: RO:0002473 ENVO:00001998 ! composed primarily of soil [Term] id: ENVO:01000828 name: humid air def: "Air which has increased levels of water vapour." [] is_a: ENVO:00002005 ! air relationship: has_increased_levels_of ENVO:01000266 ! water vapour relationship: has_quality PATO:0015010 ! increased humidity [Term] id: ENVO:01000829 name: water vapour saturated air def: "Air which has a partial pressure of water vapour equal or near equal to its equilibrium vapor pressure at a given temperature." [] comment: "Near equal" is meant to reflect that there will be fluctuations around the equilibrium point. synonym: "water-vapour-saturated air" EXACT [] synonym: "wet air" RELATED [] is_a: ENVO:01000828 ! humid air [Term] id: ENVO:01000830 name: water-based rainfall def: "A hydrological precipitation process in which atmospheric water vapour condenses to form droplets of liquid water massive enough to fall to a planetary surface due to the planet's gravity." [https://en.wikipedia.org/wiki/Rain] comment: This is the process which typically happens on Earth. Other planets may have different liquids involved in the process. subset: envoPolar synonym: "rain" RELATED [] synonym: "rain fall" BROAD [] synonym: "rainfall" BROAD [] is_a: ENVO:01000703 ! hydrological precipitation process [Term] id: ENVO:01000831 name: droplet def: "A droplet is a small column of liquid, bounded completely or almost completely by free surfaces which maintains its shape due to the surface tension of the liquid." [https://en.wikipedia.org/wiki/Drop_%28liquid%29] comment: No attempt is made to differentiate between drops and droplets. This may be added, if requested. synonym: "drop" RELATED [] is_a: ENVO:01001690 ! mass of liquid [Term] id: ENVO:01000832 name: raindrop def: "A droplet formed by condensation of vapour in an atmosphere and which is sufficiently massive to overcome atmospheric resistance and fall to a planetary surface due to gravity." [] is_a: ENVO:01000831 ! droplet relationship: formed_as_result_of ENVO:01000724 ! condensation process [Term] id: ENVO:01000833 name: water droplet def: "A droplet of water" [] is_a: ENVO:01000831 ! droplet intersection_of: ENVO:01000831 ! droplet intersection_of: RO:0002473 ENVO:00002006 ! composed primarily of liquid water relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water property_value: IAO:0000116 "A defined class which should be filled by inference." xsd:string [Term] id: ENVO:01000834 name: water raindrop comment: This is the class intended for use when describing raindrops on Earth. These typically have a diamter of 0.1 to 9 millimetres. synonym: "raindrop" BROAD [] is_a: ENVO:01000832 ! raindrop is_a: ENVO:01000833 ! water droplet [Term] id: ENVO:01000835 name: cloud droplet def: "A droplet which is spherical in shape and suspended in an atmosphere, being of too small a mass to be pulled to a planetary surface by gravity." [https://en.wikipedia.org/wiki/Rain] is_a: ENVO:01000831 ! droplet [Term] id: ENVO:01000836 name: water-based cloud droplet def: "A cloud droplet composed primarily of water." [] synonym: "cloud drop" BROAD [] synonym: "cloud droplet" BROAD [] synonym: "water based cloud droplet" EXACT [] is_a: ENVO:01000833 ! water droplet is_a: ENVO:01000835 ! cloud droplet intersection_of: ENVO:01000835 ! cloud droplet intersection_of: RO:0002473 ENVO:00002006 ! composed primarily of liquid water [Term] id: ENVO:01000838 name: smoke comment: Smoke is a collection of airborne solid and liquid particulates and gases emitted when a material undergoes combustion or pyrolysis, together with the quantity of gas that is entrained or otherwise mixed into the mass {xref="https://en.wikipedia.org/wiki/Smoke"} is_a: ENVO:00010505 ! aerosol relationship: formed_as_result_of ENVO:01000839 ! combustion process [Term] id: ENVO:01000839 name: combustion process def: "Combustion or burning is a high-temperature exothermic redox chemical reaction between a fuel and an oxidant that produces oxidized, often gaseous products, in a mixture termed as smoke." [https://en.wikipedia.org/wiki/Combustion] comment: Unlike the "combustion" class in the Chemical Methods Ontology, this class is not necessarily a planned process. http://purl.obolibrary.org/obo/CHMO_0001473 is_a: ENVO:01000840 ! thermolysis is_a: ENVO:01001654 ! aerosol formation process relationship: has_output ENVO:01000838 ! smoke property_value: IAO:0000116 "This class may be surrendered to REX." xsd:string [Term] id: ENVO:01000840 name: thermolysis def: "A chemical decomposition (the separation of a single chemical compound into its two or more elemental parts or to simpler compounds) caused by heat." [] synonym: "thermal decomposition" EXACT [] is_a: ENVO:03000043 ! material transformation process [Term] id: ENVO:01000841 name: pyrolysis def: "A thermolysis process in which organic material is decomposed in the absence of oxygen." [] is_a: ENVO:01000840 ! thermolysis is_a: ENVO:01001654 ! aerosol formation process relationship: has_output ENVO:01000838 ! smoke [Term] id: ENVO:01000842 name: smog def: "A fog which is intermixed with smoke or other combustion products and their derivatives." [] is_a: ENVO:01000844 ! fog relationship: has_role CHEBI:78298 ! environmental contaminant [Term] id: ENVO:01000844 name: fog def: "A visible mass of cloud water droplets or ice crystals suspended in the air at or near the surface of an astronomical body." [https://en.wikipedia.org/wiki/Fog] comment: Fog is more opaque than mist, reducing visibility to under one kilometre. This class refers only to fog formed by materials primarily composed of water. "Fog can be considered a type of low-lying cloud and is heavily influenced by nearby bodies of water, topography, and wind conditions. In turn, fog has affected many human activities, such as shipping, travel, and warfare." https://en.wikipedia.org/wiki/Fog subset: envoCryo synonym: "haar" RELATED [] xref: http://sweetontology.net/phenAtmoFog/Fog is_a: ENVO:01001088 ! aerosolised liquids is_a: ENVO:01001652 ! atmospheric aerosol relationship: output_of ENVO:01000724 ! condensation process relationship: RO:0001025 ENVO:01000267 ! located in atmosphere relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water [Term] id: ENVO:01000845 name: crystal def: "A solid material whose constituents, such as atoms, molecules or ions, are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions." [https://en.wikipedia.org/wiki/Crystal] comment: This class refers to a portion of crystal and not an individual crystal. is_a: ENVO:01000814 ! solid environmental material relationship: has_quality PATO:0001411 ! structured [Term] id: ENVO:01000846 name: water ice crystal def: "A crystal which is primarily composed of water ice." [] comment: Any one of a number of macroscopic, crystalline forms in which ice appears, including hexagonal columns, hexagonal platelets, dendritic crystals, ice needles, and combinations of these forms. The crystal lattice of ice is hexagonal in its symmetry under most atmospheric conditions. {xref="https://orcid.org/0000-0003-4808-4736"} subset: envoPolar synonym: "ice crystal" BROAD [] xref: http://sweetontology.net/matrWater/Ice is_a: ENVO:01000845 ! crystal relationship: RO:0002473 ENVO:01000277 ! composed primarily of water ice [Term] id: ENVO:01000869 name: area of scrub alt_id: NLCD:52 def: "An area of a planet's surface which is primarily covered by a shrubs, young trees, or stunted trees.. The surfaces of this area are in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction." [http://dx.doi.org/10.1016/j.rse.2015.07.014, https://en.wikipedia.org/wiki/Exosphere, https://en.wikipedia.org/wiki/Planetary_surface, https://en.wikipedia.org/wiki/Subshrub, https://www.mrlc.gov/nlcd11_leg.php] comment: According to the NLCD 2011, areas of scrub or shrub are dominated by shrubs; less than 5 meters tall with shrub canopy typically greater than 20% of total vegetation. This class includes true shrubs, young trees in an early successional stage or trees stunted from environmental conditions. Such thresholds - which are themselves fuzzy - are not asserted in this definition. subset: nlcd2011 synonym: "area of shrub" EXACT [] is_a: ENVO:01001293 ! bush area relationship: part_of ENVO:00000300 ! scrubland area relationship: RO:0002220 ENVO:01000323 ! adjacent to atmospheric boundary layer property_value: IAO:0000116 "As noted in Wikipedia: \"Because the criteria are matters of degree rather than of kind, the definition of a subshrub is not sharply distinguishable from that of a shrub\"" xsd:string {xref="https://en.wikipedia.org/wiki/Subshrub"} property_value: IAO:0000118 "shrub/scrub" xsd:string [Term] id: ENVO:01000875 name: precipitation process def: "A precipitation process is a process in which a portion of some substance segregates from a material in which that substance or its precursors were dissolved or suspended in and settles due to a force such as gravity or centrifugal force." [https://en.wikipedia.org/wiki/Precipitation_%28chemistry%29] {comment="https://en.wikipedia.org/wiki/Precipitation"} is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:01000876 name: storm def: "A storm is an environmental process in which an environmental system and the processes it participates in are strongly perturbed by external forcings. These forcings typically increase the rates of processes unfolding in the system, relative to their normal rates." [] comment: The threshold of what constitutes "strong" perturbation is not defined here due to considerable semantic variation. If a specific threshold is required, please request a new term. subset: environmental_hazards is_a: ENVO:02500000 ! environmental system process [Term] id: ENVO:01000877 name: atmospheric storm def: "An atmospheric storm is a process in which a portion of an astronomical body's atmosphere is strongly perturbed from its prevaling weather." [https://en.wikipedia.org/wiki/Storm] subset: environmental_hazards is_a: ENVO:01000876 ! storm is_a: ENVO:02500003 ! atmospheric process [Term] id: ENVO:01000878 name: thunderstorm def: "An atmospheric storm which occurs in cumulonimbus clouds and during which lightning and thunder occur." [] comment: Thunderstorms may or may not involve processes which result in strong winds, heavy rain, snow, sleet, hail, or other forms of precipitation. subset: environmental_hazards synonym: "electrical storm" EXACT [] synonym: "lightning storm" EXACT [] is_a: ENVO:01001294 ! convective storm relationship: has_part ENVO:01000898 ! atmospheric lightning [Term] id: ENVO:01000882 name: icestorm def: "An atmospheric storm during which freezing rain falls and accumulates as ice on exposed surfaces." [https://en.wikipedia.org/wiki/Ice_storm, https://orcid.org/0000-0003-4808-4736] comment: Icestorms are associated with multiple hazards. Significant accumulations of ice pull down trees and utility lines resulting in loss of power and communication. These accumulations of ice make walking and driving extremely dangerous. Significant ice accumulations are usually accumulations of 0.25 inch or 0.60 cm or more. Has synonyms silver storm, glaze storm. {xref="https://orcid.org/0000-0003-4808-4736"} comment: The U.S. National Weather Service defines an ice storm as a storm which results in the accumulation of at least 0.25-inch (6.4 mm) of ice on exposed surfaces. {xref="https://en.wikipedia.org/wiki/Ice_storm", xref="Hauer RJ, Dawson JO, Werner LP (2006) Trees and Ice Storms - The Development of Ice Storm-Resistant Urban Tree Populations (2 ed.). College of Natural Resources, University of Wisconsin–Stevens Point, and the Department of Natural Resources and Environmental Sciences and the Office of Continuing Education, University of Illinois at Urbana-Champaign. http://web.extension.uiuc.edu/forestry/publications/pdf/urban_community_forestry/trees_and_ice_storms_2006.pdf"} subset: environmental_hazards subset: envoAtmo subset: envoCryo subset: envoPolar synonym: "glaze event" EXACT [] synonym: "glaze event" RELATED [] synonym: "glaze storm" EXACT [] synonym: "ice storm" EXACT [] synonym: "silver storm" EXACT [] synonym: "silver thaw" EXACT [] synonym: "silver thaw" RELATED [] xref: http://sweetontology.net/phenAtmoPrecipitation/IceStorm is_a: ENVO:01000877 ! atmospheric storm relationship: has_output ENVO:01000547 ! glaze ice layer relationship: has_part ENVO:01000896 ! freezing rainfall property_value: IAO:0000116 "Note it is a hazard, could perhaps later link to https://github.com/Vocamp/Hazard or https://github.com/Vocamp/Hazard/blob/master/concept-map/ModifiedHazardousSituation.png and https://github.com/SDG-InterfaceOntology/sdgio/issues/14" xsd:string created_by: https://orcid.org/0000-0002-0337-8610 created_by: https://orcid.org/0000-0002-2282-7215 created_by: https://orcid.org/0000-0002-2908-3327 created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0003-0632-7576 created_by: https://orcid.org/0000-0003-4808-4736 creation_date: 2021-04-14T18:57:18.275Z [Term] id: ENVO:01000883 name: area of developed open space alt_id: NLCD:21 def: "An area of a planet's surface which is primarily covered by cultivated or anthropically maintained vegetation planted for recreation, erosion control, or aesthetic purposes interspersed by constructed or manufactured objects and materials. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction." [https://en.wikipedia.org/wiki/Exosphere, https://en.wikipedia.org/wiki/Planetary_surface, https://www.mrlc.gov/nlcd11_leg.php] comment: According to the NLCD 2011, areas of developed open space are dominated by vegetation such as lawn grasses and include large-lot single-family housing units, parks, golf courses. Further, it is asserted that "impervious surfaces", most likely referring to concrete and related substances, cover less than 20% of the area. Such thresholds - which are themselves fuzzy - are not asserted in this definition. subset: nlcd2011 is_a: ENVO:01001200 ! anthropised terrestrial environmental zone relationship: part_of ENVO:01000248 ! dense settlement biome relationship: RO:0002220 ENVO:01000323 ! adjacent to atmospheric boundary layer property_value: IAO:0000116 "This class is in need of refinement, particularly in linking to other entities in the ontology. This would be helped by more clear listings of entities included in this classification. However, the class is suitable for use in annotating remotely sensed land types." xsd:string property_value: IAO:0000118 "developed, open space" xsd:string [Term] id: ENVO:01000887 name: area of sedge- and forb-dominated herbaceous vegetation alt_id: NLCD:72 def: "An area of a planet's surface which is primarily covered by sedges or forbs, possibly interpersed with grasses or grass-like plants. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction." [https://en.wikipedia.org/wiki/Exosphere, https://en.wikipedia.org/wiki/Planetary_surface, https://www.mrlc.gov/nlcd11_leg.php] comment: According to the NLCD 2011, at least 80% of these areas are covered by sedge or forbs. Such thresholds - which are themselves fuzzy - are not strictly asserted in this definition. The NLCD description also notes that land covered by sedge tundra and sedge tussock tundra are subsumed in this category. The original definition notes that this is intended as an "Alaska only" category. subset: nlcd2011 is_a: ENVO:01001293 ! bush area relationship: RO:0002220 ENVO:01000323 ! adjacent to atmospheric boundary layer property_value: IAO:0000116 "This class is in need of refinement, particularly in linking to other entities in the ontology. However, it is suitable for use in annotating remotely sensed land types." xsd:string property_value: IAO:0000118 "sedge/herbaceous" xsd:string [Term] id: ENVO:01000888 name: area of gramanoid or herbaceous vegetation alt_id: NLCD:71 def: "An area of a planet's surface which is primarily covered by gramanoid or herbaceous vegetation and which is not subject to intensive management by humans. This area is in contact with an atmospheric column extending from the planetary boundary layer to the planet's exosphere with little to no physical obstruction." [https://en.wikipedia.org/wiki/Exosphere, https://en.wikipedia.org/wiki/Planetary_surface, https://www.mrlc.gov/nlcd11_leg.php] comment: According to the NLCD 2011, at least 80% of these areas are covered by grasslands or non-woody, herbaceous plants. Such thresholds - which are themselves fuzzy - are not strictly asserted in this definition. The NLCD description also notes that, while no "intensive" management such as tilling is performed in these areas, they may be used for grazing. subset: nlcd2011 is_a: ENVO:00000106 ! grassland area is_a: ENVO:01001293 ! bush area relationship: RO:0002220 ENVO:01000323 ! adjacent to atmospheric boundary layer property_value: IAO:0000116 "This class is in need of refinement, particularly in linking to other entities in the ontology. However, it is suitable for use in annotating remotely sensed land types." xsd:string property_value: IAO:0000118 "grassland/herbaceous" xsd:string [Term] id: ENVO:01000895 name: snowfall def: "A hydrological process in which irregular aggregates of snow fall to the surface of an astronomical body." [] subset: environmental_hazards subset: envoCryo subset: envoPolar synonym: "snow fall" EXACT [] xref: http://sweetontology.net/phenAtmoPrecipitation/Snowfall is_a: ENVO:01000703 ! hydrological precipitation process property_value: IAO:0000116 "This is currently bound to water-based snow on Earth, may need revisions for interplanetary applications" xsd:string created_by: https://orcid.org/0000-0002-0337-8610 created_by: https://orcid.org/0000-0002-2282-7215 created_by: https://orcid.org/0000-0002-2908-3327 created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0003-0632-7576 created_by: https://orcid.org/0000-0003-4808-4736 creation_date: 2021-04-14T18:57:18.275Z [Term] id: ENVO:01000896 name: freezing rainfall alt_id: METAR:FZRA def: "Water-based rainfall which freezes either 1) on impact with a surface to form a coating of clear ice (glaze) or 2) after percolating through surface layers." [https://orcid.org/0000-0003-4808-4736] comment: A surface temperature inversion is usually required. In such an inversion, the surface must have a temperature below freezing, while the temperature of the atmosphere where the precipitation forms is above freezing. Alternately, if the temperature of the ground surface and glazed objects is typically near or below freezing (0C or 32F), it is necessary that the water drops be supercooled before striking. Freezing rain can sometimes occur on surfaces exposed to the air (such as tree limbs) with air temperatures slightly above freezing in strong winds. Local evaporational cooling may result in freezing. Freezing rain frequently occurs, therefore, as a transient condition between the occurrence of rain and ice pellets (sleet). When encountered by an aircraft in flight, freezing rain can cause a dangerous accretion of clear icing. In aviation weather observations, this hydrometeor is encoded ZR by NOAA. {xref="https://orcid.org/0000-0003-4808-4736"} subset: environmental_hazards subset: envoCryo subset: envoPolar synonym: "freezing rain" BROAD [] synonym: "freezing rain fall" BROAD [] xref: http://sweetontology.net/phenAtmoPrecipitation/FreezingRain is_a: ENVO:01000830 ! water-based rainfall property_value: IAO:0000116 "This term exists, we're revising the definition with ESIP semantic Harmonization group, delete the old one.\n\nConsider adding axioms like PATO:\"decreased temperature\" to this and other cold forms of precipitation, such that we can create a grouping class to be filled by inference (with hail, sleet, snow, freezing rain). Something like precipitation below the liquid-solid phase transition point of water." xsd:string created_by: https://orcid.org/0000-0002-0337-8610 created_by: https://orcid.org/0000-0002-2282-7215 created_by: https://orcid.org/0000-0002-2908-3327 created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0003-0632-7576 created_by: https://orcid.org/0000-0003-4808-4736 creation_date: 2021-04-14T18:57:18.275Z [Term] id: ENVO:01000897 name: electrostatic discharge process def: "A process during which a sudden flow of electricity occurs, often accompanied by a visible release of photons, between two electrically charged objects due to contact, an electrical short, or dielectric breakdown." [https://en.wikipedia.org/wiki/Electrostatic_discharge] is_a: ENVO:02500000 ! environmental system process property_value: IAO:0000116 "This should probably be moved to an ontology of physical processes when one is created, and be imported back into ENVO." xsd:string [Term] id: ENVO:01000898 name: atmospheric lightning def: "A sudden electrostatic discharge which occurs during an electrical storm as differentially charged atmospheric entities equalise their charge." [https://en.wikipedia.org/wiki/Lightning] subset: environmental_hazards synonym: "lightning" EXACT [] is_a: ENVO:01000897 ! electrostatic discharge process is_a: ENVO:02500003 ! atmospheric process relationship: has_output ENVO:01000798 ! plasma [Term] id: ENVO:01000923 name: petting zoo def: "A petting zoo is a zoological garden which contains domesticated non-human animals and some wild non-human animals that are docile enough for humans to touch and feed." [https://en.wikipedia.org/wiki/Petting_zoo] comment: Petting zoos are often nested within a zoological garden featuring wild non-human animals, not docile enough for humans to touch. synonym: "children's zoo" RELATED [] synonym: "petting farm" EXACT [] is_a: ENVO:00010625 ! zoological garden property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000925 name: abattoir def: "A facility in which non-human animals are slaughtered and processed for human consumption." [https://en.wikipedia.org/wiki/Slaughterhouse] synonym: "butchery" RELATED [] synonym: "meat processing building" RELATED [] synonym: "slaughter plant" EXACT [] synonym: "slaughterhouse" EXACT [] is_a: ENVO:00003861 ! industrial building property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000927 name: day care building def: "A building which is used to care for a human child during the working day by a person, outside the child's immediate family, other than that child's legal guardians." [https://en.wikipedia.org/wiki/Day_care] comment: This is a kind of day care facility. A facility need not be a building. synonym: "child care building" EXACT [] synonym: "daycare building" EXACT [] is_a: ENVO:01001222 ! commercial building property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl created_by: https://orcid.org/0000-0002-1107-9135 [Term] id: ENVO:01000934 name: restaurant def: "A building within which food and drink are prepared and served to customers in exchange for money or other goods and/or services." [https://en.wikipedia.org/wiki/Restaurant] synonym: "eatery" EXACT [] is_a: ENVO:01001222 ! commercial building property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000935 name: campground def: "A part of an ecosystem which may be or has been used for one or more overnight stays by humans sheltering in tents, camper vans, caravans, or improvised shelters." [https://en.wikipedia.org/wiki/Campsite] synonym: "camping ground" EXACT [] synonym: "camping pitch" EXACT [] synonym: "camping site" EXACT [] synonym: "campsite" EXACT [] is_a: ENVO:00000002 ! anthropogenic geographic feature property_value: IAO:0000116 "This is a very ambiguous term with wide-ranging usage patterns across cultural groups and regions." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01000941 name: planetary subsurface zone def: "Regions of a planet which are not exposed to the planet's atmosphere or space, often comprising parts of one or more planetary structural layers." [] is_a: ENVO:01001776 ! subsurface zone of an astronomical body relationship: overlaps ENVO:01000639 ! planetary structural layer relationship: RO:0002220 ENVO:01000324 ! adjacent to planetary surface [Term] id: ENVO:01000944 name: microplastic particle def: "A piece of plastic which has a diameter less than five millimetres." [https://en.wikipedia.org/wiki/Microplastics, https://marinedebris.noaa.gov/file/2192/download?token=5dvqb-YY] comment: This classification is based on the thresholds detailed in GESAMP report # 99 on recommendation from the SDG 14 indicator team. While the definition is in accordance with the common use of this term (as per GESAMP report # 99), alternative size classifications exist. Alternative classifications are a piece of plastic which is between 1 and 5 millimetres in diameter, a piece of plastic which has a diameter less than 1 millimetre, or a piece of plastic which has a diameter greater than 330 micrometres. The use of the word diameter in this case was understood to mean the generalised form of diameter, i.e. the largest distance between two points belonging to an object. {xref="http://www.gesamp.org/publications/guidelines-for-the-monitoring-and-assessment-of-plastic-litter-in-the-ocean"} subset: envoPlastics synonym: "microplastic" RELATED [] is_a: ENVO:01000776 ! piece of plastic property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0003-1072-8081 [Term] id: ENVO:01000946 name: secondary microplastic particle def: "A microplastic particle which is derived from the breakdown of larger plastic debris." [https://en.wikipedia.org/wiki/Microplastics, https://marinedebris.noaa.gov/file/2192/download?token=5dvqb-YY] comment: The debris that make up the Great Pacific Garbage Patch constantly release microplastics as they break down. subset: envoPlastics synonym: "microplastic" RELATED [] synonym: "microplastica secondaria" EXACT [] synonym: "microplástico secundario" EXACT [] synonym: "Sekundäres Mikroplastik" EXACT [] is_a: ENVO:01000944 ! microplastic particle property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0003-1072-8081 [Term] id: ENVO:01000951 name: natural environment def: "An environmental system in which minimal to no anthropisation has occurred and non-human agents are the primary determinants of the system's dynamics and composition." [https://en.wikipedia.org/wiki/Anthropization, https://en.wikipedia.org/wiki/Natural_environment] comment: In most contexts, 'natural' is defined by the lack of intervention or influence by humans and their activities. On Earth, most environments fall on a scale between completely natural and anthropised. is_a: ENVO:01000254 ! environmental system property_value: IAO:0000118 "non-anthropised environment" xsd:string property_value: IAO:0000118 "non-anthropized environment" xsd:string [Term] id: ENVO:01000952 name: anthropisation def: "A process during which a natural environmental system is altered by human action." [https://en.wikipedia.org/wiki/Anthropization] comment: An area may be classified as anthropized even though it looks natural, such as grasslands that have been deforested by humans. It can be difficult to determine how much a site has been anthropized in the case of urbanization because one must be able to estimate the state of the landscape before significant human action. {xref="https://en.wikipedia.org/wiki/Anthropization"} synonym: "anthropization" EXACT [] is_a: ENVO:01001434 ! anthropogenic ecosystem conversion process intersection_of: ENVO:01001434 ! anthropogenic ecosystem conversion process intersection_of: has_input ENVO:01000951 ! natural environment intersection_of: has_output ENVO:01000313 ! anthropogenic environment relationship: has_input ENVO:01000951 ! natural environment relationship: has_output ENVO:01000313 ! anthropogenic environment [Term] id: ENVO:01000958 name: terrestrial planet def: "A planet that is composed primarily of silicate rocks or metals." [https://en.wikipedia.org/wiki/Terrestrial_planet] subset: envoAstro synonym: "Earth-like planet" RELATED [] synonym: "rocky planet" EXACT [] synonym: "telluric planet" EXACT [] is_a: ENVO:01000800 ! planet [Term] id: ENVO:01000965 name: constructed swimming pool def: "A construction which is designed to hold water in which humans may swim or perform other leisure activities." [https://en.wikipedia.org/wiki/Swimming_pool] synonym: "paddling pool" EXACT [] synonym: "pool" BROAD [] synonym: "swimming bath" EXACT [] synonym: "swimming pool" EXACT [] synonym: "wading pool" EXACT [] is_a: ENVO:00000070 ! human construction [Term] id: ENVO:01000967 name: public swimming pool def: "A constructed swimming pool which is owned by a governmental or state entity." [https://en.wikipedia.org/wiki/Private_ownership, https://en.wikipedia.org/wiki/Swimming_pool] synonym: "pool" BROAD [] synonym: "swimming pool" BROAD [] is_a: ENVO:01000965 ! constructed swimming pool [Term] id: ENVO:01000981 name: mass liquid flow def: "A process whereby a volume of liquid moves due to a disequilibrium of physical forces." [https://en.wikipedia.org/wiki/Wind] comment: This class can refer to the flow of any material in a liquid phase. subset: envoPolar is_a: ENVO:01001747 ! mass fluid flow [Term] id: ENVO:01000982 name: water flow process def: "A material transport process during which a volume of liquid water is transported due to a disequilibria in physical forces." [] subset: environmental_hazards is_a: ENVO:02500031 ! hydrological process is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:01000983 name: technosphere def: "A part of an astronomical body which includes, as parts, all the entities which have been constructed or manufactured by humans or their technology and which are within the gravitational sphere of influence of that body." [http://dx.doi.org/10.1177/2053019616677743, http://www.yourdictionary.com/technosphere, https://www.sciencedaily.com/releases/2016/11/161130085021.htm] comment: The gravitational sphere of influence referenced in this class' definition is the Hill sphere: a region in which an object dominates the attraction of satellites despite gravitational perturbations. subset: envoAstro is_a: ENVO:01000813 ! astronomical body part relationship: has_part ENVO:00000070 ! human construction relationship: has_part ENVO:00003074 ! manufactured product relationship: overlaps ENVO:01000817 ! biosphere [Term] id: ENVO:01000993 name: manufacturing process def: "A planned process during which raw or recycled materials are transformed into products for use or sale using labour and machines, tools, chemical and biological processing, or formulation." [https://en.wikipedia.org/wiki/Manufacturing] comment: The term may refer to a range of human activity, from handicraft to high tech, but is most commonly applied to industrial production, in which raw materials are transformed into finished goods on a large scale. {xref="https://en.wikipedia.org/wiki/Manufacturing"} is_a: OBI:0000011 ! planned process intersection_of: OBI:0000011 ! planned process intersection_of: has_output ENVO:00003074 ! manufactured product relationship: has_output ENVO:00003074 ! manufactured product relationship: process_has_causal_agent NCBITaxon:9606 ! Homo sapiens [Term] id: ENVO:01000994 name: planetary manufacturing process def: "A manufacturing process which occurs on a planet." [] comment: See https://github.com/EnvironmentOntology/envo/issues/513 for discussion. is_a: ENVO:01000993 ! manufacturing process relationship: BFO:0000066 ENVO:01000800 ! occurs in planet relationship: RO:0002232 ENVO:01000983 ! has end location technosphere property_value: IAO:0000116 "Whether this is within the planet's Hill sphere, the region which extends from its exosphere to its core, or some other planetary region is not clear." xsd:string [Term] id: ENVO:01000996 name: human-directed construction process def: "An process during which natural or manufactured materials and products are processed and arranged by humans or their technology into structures." [] is_a: ENVO:02500027 ! anthropogenic environmental process is_a: OBI:0000011 ! planned process intersection_of: OBI:0000011 ! planned process intersection_of: has_output ENVO:00000070 ! human construction relationship: has_output ENVO:00000070 ! human construction relationship: has_part ENVO:03000010 ! material transport process relationship: has_part ENVO:03000043 ! material transformation process property_value: IAO:0000116 "The nature of \"structures\" must be further specified." xsd:string [Term] id: ENVO:01000997 name: environmental system determined by a quality def: "An environmental system which is determined by materials bearing roughly homogeneous qualities." [] comment: Organisational class. Not intended for annotation. is_a: ENVO:01000254 ! environmental system [Term] id: ENVO:01000998 name: environmental system determined by a material def: "An environmental system within which an environmental material strongly influences the system's composition and properties." [] comment: Organisational class. Not intended for annotation. Subclasses describe environments which are usually permeated by an environmental material. They may also describe environments which are sufficiently close to a material, that their dynamics are strongly influenced by it (e.g. a patch of forest ecosystem neighbouring a uranium dump). is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00010483 ! determined by environmental material relationship: RO:0002507 ENVO:00010483 ! determined by environmental material [Term] id: ENVO:01001000 name: environmental system determined by an organism def: "An environmental system which is determined by a living organism." [] subset: envoEmpo subset: envoOmics synonym: "host-associated environment" RELATED [] is_a: ENVO:01001110 ! ecosystem intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 NCBITaxon:131567 ! determined by cellular organisms relationship: RO:0002507 NCBITaxon:131567 ! determined by cellular organisms [Term] id: ENVO:01001001 name: plant-associated environment def: "An environmental system determined by a green plant." [] subset: envoEmpo subset: envoOmics synonym: "plant environment" BROAD [] synonym: "Viridiplantae-associated environment" EXACT [] is_a: ENVO:01001000 ! environmental system determined by an organism intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 NCBITaxon:33090 ! determined by Viridiplantae relationship: RO:0002507 NCBITaxon:33090 ! determined by Viridiplantae property_value: IAO:0000118 "Plant" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001002 name: animal-associated environment def: "An environmental system determined by an animal." [] subset: envoEmpo subset: envoMeo subset: envoOmics synonym: "animal environment" BROAD [] synonym: "Metazoan-associated environment" EXACT [] is_a: ENVO:01001000 ! environmental system determined by an organism is_a: ENVO:01001055 ! environment associated with an animal part or small animal intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 NCBITaxon:33208 ! determined by Metazoa relationship: RO:0002507 NCBITaxon:33208 ! determined by Metazoa property_value: IAO:0000118 "Animal" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001004 name: groundwater def: "Underground water which is located in pore spaces found in rock or unconsolidated deposits such as soil, clay, or gravel." [https://en.wikipedia.org/wiki/Groundwater] comment: The definition of aquifer is quite permissive, referencing any water bearing rock or unconsolidated material. synonym: "ground water" EXACT [] is_a: ENVO:00005792 ! underground water relationship: RO:0001025 ENVO:00012408 ! located in aquifer [Term] id: ENVO:01001008 name: meteor def: "A meteor is any matter- or energy-based entity which is located in the atmosphere of an astronomical body." [https://cloudatlas.wmo.int/other-meteors.html] subset: envoAtmo is_a: BFO:0000030 ! object intersection_of: BFO:0000030 ! object intersection_of: RO:0001025 ENVO:01000267 ! located in atmosphere relationship: RO:0001025 ENVO:01000267 ! located in atmosphere [Term] id: ENVO:01001010 name: hydrometeor def: "A meteor which is primarily composed of water." [https://cloudatlas.wmo.int/other-meteors.html] subset: envoAtmo is_a: ENVO:01001008 ! meteor [Term] id: ENVO:01001012 name: lithometeor def: "A meteor which is primarily composed of rock." [] subset: envoAtmo is_a: ENVO:00000339 ! piece of rock is_a: ENVO:01001008 ! meteor intersection_of: ENVO:01001008 ! meteor intersection_of: RO:0002473 ENVO:00001995 ! composed primarily of rock relationship: RO:0001000 ENVO:01001068 ! derives from meteoroid [Term] id: ENVO:01001022 name: natural lake def: "A lake which has formed as the result of processes that are not or are only minimally driven by human activity." [] is_a: ENVO:00000020 ! lake property_value: IAO:0000116 "This class is to be filled by inference." xsd:string [Term] id: ENVO:01001023 name: radiation def: "A process during which energy is emitted or transmitted in the form of waves or particles through space or a material medium." [https://en.wikipedia.org/wiki/Radiation] subset: environmental_hazards subset: envoAstro is_a: ENVO:01001852 ! energy transfer process property_value: IAO:0000116 "Requires addition of waves for full axiomatisation. This should be linked to \"subatomic particle\" with an \"or\". Note that ENVO represents space as an environmental material (a hard vacuum with sparse material inclusions)." xsd:string [Term] id: ENVO:01001024 name: particle radiation def: "A radiation process during which energy is transmitted or emitted by means of fast-moving subatomic particles." [https://en.wikipedia.org/wiki/Particle_radiation] subset: environmental_hazards subset: envoAstro is_a: ENVO:01001023 ! radiation [Term] id: ENVO:01001025 name: particle beam radiation def: "A particle radiation process during which subatomic particles move in the same direction." [https://en.wikipedia.org/wiki/Particle_radiation] subset: environmental_hazards subset: envoAstro is_a: ENVO:01001024 ! particle radiation [Term] id: ENVO:01001026 name: electromagnetic radiation def: "A radiation process during which waves (or their quanta, photons) of the electromagnetic field propagate (radiate) through space carrying electromagnetic energy." [https://en.wikipedia.org/wiki/Electromagnetic_radiation] comment: Note that this class is concerned only with active radiative processes: static electric and magnetic fields are not inlcuded. All electromagnetic radiation carries radiant energy. subset: environmental_hazards subset: envoAstro synonym: "EM radiation" EXACT [] is_a: ENVO:01001023 ! radiation [Term] id: ENVO:01001027 name: acoustic radiation def: "A radiation process during which mechanical waves generated by oscillations radiate through an environmental material." [https://en.wikipedia.org/wiki/Acoustics] {comment="https://en.wikipedia.org/wiki/Vibration", comment="https://en.wikipedia.org/wiki/Mechanical_wave"} comment: The mechanical waves generated by this process are also referred to as pressure waves. subset: envoAstro is_a: ENVO:01001023 ! radiation [Term] id: ENVO:01001029 name: fecal environment def: "An environmental system which has its properties and dynamics determined by feces." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01000998 ! environmental system determined by a material intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00002003 ! determined by fecal material relationship: RO:0002507 ENVO:00002003 ! determined by fecal material property_value: IAO:0000118 "Animal distal gut" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/", comment="The label of this EMPO class is ambiguous, but pers. comm. with L Thompson (http://orcid.org/0000-0002-3911-1280) reveals that this is essentially limited to fecal samples."} [Term] id: ENVO:01001030 name: environment determined by a metazoan secretion def: "An environmental system which has its properties and dynamics determined by a bodily secretion of a metazoan." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01001110 ! ecosystem is_a: ENVO:2100000 ! anatomical entity environment intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 UBERON:0000456 ! determined by secretion of exocrine gland relationship: RO:0002507 UBERON:0000456 ! determined by secretion of exocrine gland property_value: IAO:0000118 "Animal secretion" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001040 name: saline environment def: "An environment which is determined by materials which bear significant concentrations of salts." [] comment: The thresholds for "significant" concentrations of salts vary widely and thus no committment is made in this class. Subclasses with more explicit thresholds can be made upon request. subset: envoEmpo is_a: ENVO:01000314 ! high osmolarity environment is_a: ENVO:01000998 ! environmental system determined by a material property_value: IAO:0000118 "Saline" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001044 name: soil environment def: "An environmental system which has its properties and dynamics determined by soil." [] subset: envoEmpo subset: envoOmics is_a: ENVO:01000997 ! environmental system determined by a quality is_a: ENVO:01000998 ! environmental system determined by a material intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00001998 ! determined by soil relationship: RO:0002507 ENVO:00001998 ! determined by soil property_value: IAO:0000118 "Soil (non-saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001046 name: planetary subsurface environment def: "An environmental system which has its properties and dynamics determined by the subsurface zone of a planet." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: overlaps ENVO:01000941 ! planetary subsurface zone relationship: overlaps ENVO:01000941 ! planetary subsurface zone [Term] id: ENVO:01001047 name: non-saline planetary subsurface environment def: "An environmental system which has its properties and dynamics determined by those parts of a planetary subsurface zone which are not saline." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01001046 ! planetary subsurface environment property_value: IAO:0000118 "Subsurface (non-saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001048 name: sediment environment def: "An environmental system which has its properties and dynamics determined by sediment." [] subset: envoEmpo subset: envoOmics is_a: ENVO:01000997 ! environmental system determined by a quality is_a: ENVO:01000998 ! environmental system determined by a material intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00002007 ! determined by sediment relationship: RO:0002507 ENVO:00002007 ! determined by sediment [Term] id: ENVO:01001052 name: aerosol environment def: "An environmental system which has its properties and dynamics determined by an aerosol." [] subset: envoEmpo subset: envoOmics is_a: ENVO:01000997 ! environmental system determined by a quality is_a: ENVO:01000998 ! environmental system determined by a material intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002507 ENVO:00010505 ! determined by aerosol relationship: RO:0002507 ENVO:00010505 ! determined by aerosol [Term] id: ENVO:01001053 name: saline aerosol environment def: "An environmental system which has its properties and dynamics determined by a saline aerosol." [] subset: envoEmpo subset: envoOmics is_a: ENVO:01001040 ! saline environment is_a: ENVO:01001052 ! aerosol environment property_value: IAO:0000118 "Aerosol (saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/", comment="seaspray or other aerosolized saline material (>5 psu)"} [Term] id: ENVO:01001054 name: non-saline aerosol environment def: "An environmental system which has its properties and dynamics determined by an aerosol with a low concentration of dissolved solutes." [] subset: envoEmpo subset: envoOmics is_a: ENVO:01001052 ! aerosol environment property_value: IAO:0000118 "Aerosol (non-saline)" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/", comment="aerosolized dust or liquid"} [Term] id: ENVO:01001055 name: environment associated with an animal part or small animal def: "An environmental system determined by part of a living or dead animal, or a whole small animal." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01001110 ! ecosystem property_value: IAO:0000118 "Animal corpus" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001057 name: environment associated with a plant part or small plant def: "An environmental system determined by part of a living or dead plant, or a whole small plant." [] subset: envoEmpo subset: envoMeo subset: envoOmics is_a: ENVO:01001110 ! ecosystem property_value: IAO:0000118 "Plant corpus" xsd:string {xref="http://press.igsb.anl.gov/earthmicrobiome/protocols-and-standards/emp-ontology-empo/"} [Term] id: ENVO:01001068 name: meteoroid def: "An astronomical body which is composed of rocky or metallic materials and is considerably smaller than asteroids." [https://en.wikipedia.org/wiki/Meteoroid] subset: envoAstro is_a: ENVO:01000799 ! astronomical body relationship: has_quality PATO:0000587 ! decreased size [Term] id: ENVO:01001069 name: metallic material def: "A material which is composed primarily of one or more pure metals and which shows their properties." [] {comment="https://en.wikipedia.org/wiki/Metal"} comment: While this class allows for some degree of contamination by non-metal substances, the material represented should show at least some of the typical features of a pure metal: hardness (except for liquid metals), opacity, lustre, malleability, fusibility, ductile and good electrical and thermal conductivity. synonym: "metal" RELATED [] is_a: ENVO:00010483 ! environmental material relationship: has_quality PATO:0000963 ! opaque relationship: has_role CHEBI:15022 ! electron donor relationship: RO:0002473 CHEBI:33521 ! composed primarily of metal atom property_value: IAO:0000116 "Far more axiomatisation can be done should the qualities of metals be added to PATO or a similar quality ontology. However, note that there are many exceptions to the typical qualities of the majority of metals." xsd:string [Term] id: ENVO:01001078 name: weather def: "Environmental variability which inheres in an astronomical body part or in outer space." [https://en.wikipedia.org/wiki/Space_weather, https://en.wikipedia.org/wiki/Weather] comment: This class refers to all weather, including atmospheric and space weather. Please use a subclass for more specificity. is_a: ENVO:01001081 ! environmental variability [Term] id: ENVO:01001081 name: environmental variability def: "A condition which inheres in an environmental system by virtue of that system undergoing variation in its composition, the distribution of the qualities its components bear, and/or in the processes which occur within it and which it participates in." [] comment: This class is very general, but the nature of environmental variability is indeed quite variable. This class may be refined once we have more subclasses to consider. is_a: ENVO:01000203 ! environmental condition [Term] id: ENVO:01001084 name: particulate matter formation process def: "A process during which microscopic solid or liquid objects are formed." [https://en.wikipedia.org/wiki/Particulates] synonym: "particle formation" RELATED [] is_a: ENVO:03000043 ! material transformation process relationship: has_output ENVO:01000060 ! particulate environmental material [Term] id: ENVO:01001085 name: atmospheric aerosol formation def: "An aerosol formation process which occurs in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "atmospheric aerosol formation" EXACT [] is_a: ENVO:01001654 ! aerosol formation process is_a: ENVO:02500003 ! atmospheric process intersection_of: ENVO:01001654 ! aerosol formation process intersection_of: BFO:0000066 ENVO:01000267 ! occurs in atmosphere [Term] id: ENVO:01001086 name: formation of a solid aerosol in an atmosphere def: "A process during which an aerosol, consisting of solid particulates suspended in a gas, is formed in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "formation of solid particles in an atmosphere" RELATED [] is_a: ENVO:01001085 ! atmospheric aerosol formation intersection_of: ENVO:01001085 ! atmospheric aerosol formation intersection_of: has_output ENVO:01001089 ! aerosolised solids relationship: has_output ENVO:01001089 ! aerosolised solids [Term] id: ENVO:01001087 name: formation of a liquid aerosol in an atmosphere def: "A process during which an aerosol, consisting of droplets of liquid suspended in gas, is formed in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "formation of liquid droplets in an atmosphere" RELATED [] synonym: "formation of liquid particles in an atmosphere" RELATED [] is_a: ENVO:01001085 ! atmospheric aerosol formation intersection_of: ENVO:01001085 ! atmospheric aerosol formation intersection_of: has_output ENVO:01001088 ! aerosolised liquids relationship: has_output ENVO:01001088 ! aerosolised liquids [Term] id: ENVO:01001088 name: aerosolised liquids def: "An aerosol which has non-gaseous parts that are primarily composed of liquid droplets." [https://en.wikipedia.org/wiki/Aerosol] subset: envoAtmo synonym: "liquid aerosol" EXACT [] xref: SWEETRealm:Aerosol is_a: ENVO:00010505 ! aerosol relationship: RO:0002219 ENVO:00002005 ! surrounded by air [Term] id: ENVO:01001089 name: aerosolised solids def: "An aerosol which has non-gaseous parts that are primarily composed of solid particles." [https://en.wikipedia.org/wiki/Aerosol] subset: envoAtmo synonym: "solid aerosol" EXACT [] xref: SWEETRealm:Aerosol is_a: ENVO:00010505 ! aerosol relationship: RO:0002219 ENVO:00002005 ! surrounded by air [Term] id: ENVO:01001090 name: formation of a solid aerosol from gaseous material in an atmosphere def: "A process during which microscopic solid particulates are formed from gaseous materials in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "atmospheric formation of a solid aerosol" BROAD [] synonym: "formation of a solid aerosol in an atmosphere" BROAD [] synonym: "formation of a solid aerosol in the atmosphere" BROAD [] synonym: "formation of solid particles from gaseous material in an atmosphere" RELATED [] is_a: ENVO:01001086 ! formation of a solid aerosol in an atmosphere intersection_of: ENVO:01001086 ! formation of a solid aerosol in an atmosphere intersection_of: has_input ENVO:01000797 ! gaseous environmental material intersection_of: has_output ENVO:01001089 ! aerosolised solids relationship: has_input ENVO:01000797 ! gaseous environmental material [Term] id: ENVO:01001091 name: formation of a liquid aerosol from gaseous material in an atmosphere def: "A process during which microscopic liquid droplets are formed from gaseous materials in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "atmospheric formation of a liquid aerosol" EXACT [] synonym: "formation of a liquid aerosol in an atmosphere" EXACT [] synonym: "formation of a liquid aerosol in the atmosphere" EXACT [] synonym: "formation of liquid droplets from gaseous material in an atmosphere" RELATED [] synonym: "formation of liquid particles from gaseous material in an atmosphere" RELATED [] is_a: ENVO:01001087 ! formation of a liquid aerosol in an atmosphere intersection_of: ENVO:01001087 ! formation of a liquid aerosol in an atmosphere intersection_of: has_input ENVO:01000797 ! gaseous environmental material intersection_of: has_output ENVO:01001088 ! aerosolised liquids relationship: has_input ENVO:01000797 ! gaseous environmental material [Term] id: ENVO:01001093 name: tectonic movement def: "A process during which pieces of a planetary crust and uppermost mantle move." [https://en.wikipedia.org/wiki/Plate_tectonics] {comment="https://en.wikipedia.org/wiki/List_of_tectonic_plates"} is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:01001097 name: tectonic plate def: "A part of a lithosphere which is separated by other such parts by geographic faults or similar geomorphological discontinuities." [https://en.wikipedia.org/wiki/List_of_tectonic_plates] is_a: ENVO:00000191 ! solid astronomical body part relationship: has_quality PATO:0002253 ! platelike relationship: overlaps ENVO:01001098 ! tectonic plate boundary relationship: part_of ENVO:01000646 ! lithosphere [Term] id: ENVO:01001098 name: tectonic plate boundary def: "A geomorphological feature which is formed where two or more tectonic plates move towards, away from, or along one another, resulting in deformation of the lithosphere." [https://en.wikipedia.org/wiki/Plate_tectonics] is_a: ENVO:01000408 ! environmental zone relationship: formed_as_result_of ENVO:01001093 ! tectonic movement relationship: has_component ENVO:01001097 {minCardinality="2"} ! tectonic plate relationship: has_quality PATO:0001199 ! linear relationship: overlaps ENVO:01001097 ! tectonic plate [Term] id: ENVO:01001110 name: ecosystem alt_id: LTER:173 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=173&/ecosystems"} def: "An environmental system which includes both living and non-living components." [https://en.wikipedia.org/wiki/Ecosystem] comment: This class will be primarily filled by inference, any environmental system which necessarily includes living parts should be autoclassified here. is_a: ENVO:01000254 ! environmental system property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01001120 name: animal manure product def: "A product which is composed primarily of animal manure that has been heat treated and packaged as a product for commercial or consumer use." [http://orcid.org/0000-0002-8844-9165] is_a: ENVO:00003074 ! manufactured product relationship: RO:0002473 ENVO:00003031 ! composed primarily of animal manure [Term] id: ENVO:01001122 name: gas planet def: "A planet which is primarily composed of hydrogen and helium." [http://solarsystem.nasa.gov/planets/whatisaplanet, https://en.wikipedia.org/wiki/List_of_planet_types, https://en.wikipedia.org/wiki/Planet] comment: Gas giants are composed of about 90% hydrogen and helium. Jupiter and Saturn are examples of gas giants. subset: envoAstro is_a: ENVO:01000800 ! planet is_a: ENVO:01001686 ! mass of environmental material relationship: RO:0002473 ENVO:01001155 ! composed primarily of astrogeological gas [Term] id: ENVO:01001125 name: ice def: "An ice is an environmental material which is either frozen or which is maintained in a solid state by gravitational forces or pressure." [] comment: Note that ice may be formed at very high temperatures, due to gravitational effects and/or pressure. is_a: ENVO:00010483 ! environmental material [Term] id: ENVO:01001135 name: desert planet def: "A terrestrial planet which has a surface dominated by hot deserts." [] comment: This class of planet is still mostly theoretical. subset: envoAstro synonym: "dry planet" EXACT [] is_a: ENVO:01000958 ! terrestrial planet [Term] id: ENVO:01001136 name: ocean planet def: "A planet which has a surface layer that nearly completely or completely covered by water, and which has a substantial portion of its mass composed of water." [https://en.wikipedia.org/wiki/Ocean_planet] comment: While this planetary form is still mostly theoretical, strong candidates exist such as the extrasolar planet GJ 1214 b and ocean planet candidate Kepler-22b. subset: envoAstro synonym: "aquaplanet" EXACT [] synonym: "panthalassic planet" EXACT [] synonym: "water world" EXACT [] is_a: ENVO:01000800 ! planet property_value: IAO:0000116 "An axiom to express that the planet has a 'substantial' proportion of its mass in the form of water wound enhance this class." xsd:string [Term] id: ENVO:01001137 name: ice planet def: "A planet which has a surface layer that nearly completely or completely covered by ice, and which has a substantial portion of its mass composed of ice." [https://en.wikipedia.org/wiki/Ice_planet] comment: While this planetary form is still mostly theoretical, strong candidates exist such as OGLE-2005-BLG-390Lb, OGLE-2013-BLG-0341L b and MOA-2007-BLG-192Lb. Pluto was considered an ice planet until its reclassification in 2006 CE. Surface temperatures of ice planets would have to be below 260 K (−13°C) if composed primarily of water, below 180 K (−93°C) if primarily composed of CO2 and ammonia, and below 80 K (−193°C) if composed primarily of methane. {xref="https://en.wikipedia.org/wiki/Ice_planet"} subset: envoAstro synonym: "cryoplanet" EXACT [] is_a: ENVO:01000800 ! planet [Term] id: ENVO:01001138 name: carbon dioxide ice def: "Ice which is primarily composed of carbon dioxide." [https://en.wikipedia.org/wiki/Ice] subset: envoAstro synonym: "dry ice" RELATED [] is_a: ENVO:01001125 ! ice intersection_of: ENVO:01001125 ! ice intersection_of: RO:0002473 CHEBI:16526 ! composed primarily of carbon dioxide relationship: RO:0002473 CHEBI:16526 ! composed primarily of carbon dioxide [Term] id: ENVO:01001140 name: ammonia ice def: "Ice which is primarily composed of ammonia." [https://en.wikipedia.org/wiki/Ice] subset: envoAstro is_a: ENVO:01001125 ! ice intersection_of: ENVO:01001125 ! ice intersection_of: RO:0002473 CHEBI:16134 ! composed primarily of ammonia relationship: RO:0002473 CHEBI:16134 ! composed primarily of ammonia [Term] id: ENVO:01001141 name: carbon monoxide ice def: "Ice which is primarily composed of carbon monoxide." [https://en.wikipedia.org/wiki/Ice] subset: envoAstro is_a: ENVO:01001125 ! ice intersection_of: ENVO:01001125 ! ice intersection_of: RO:0002473 CHEBI:17245 ! composed primarily of carbon monoxide relationship: RO:0002473 CHEBI:17245 ! composed primarily of carbon monoxide [Term] id: ENVO:01001147 name: helium planet def: "A gas planet which has an atmosphere composed primarily of helium." [https://en.wikipedia.org/wiki/Helium_planet] comment: A helium planet might form via hydrogen evaporation from a gaseous planet orbiting close to a star. Low-mass white dwarfs may transition into objects which are essentially helium planets by hydrogen depletion through mass transfer to a massive object such as a neutron star. Gliese 436 b is a candidate helium planet. {xref="https://en.wikipedia.org/wiki/Helium_planet"} subset: envoAstro is_a: ENVO:01001122 ! gas planet property_value: IAO:0000116 "The placement of this class assumes that some traces of hydrogen are left in the atmosphere. If this is not the case, the axiom on gas planet must be updated." xsd:string [Term] id: ENVO:01001150 name: protoplanetary disk def: "An astronomical object which is composed of dense gas and dust rotating around a young newly formed star, a T Tauri star, or a Herbig Ae/Be star in a disk-shaped configuration." [https://en.wikipedia.org/wiki/Protoplanetary_disk] subset: envoAstro is_a: ENVO:01000804 ! astronomical object [Term] id: ENVO:01001154 name: volatile astrogeological material def: "A material which is composed primarily of chemical elements and compounds with relatively low boiling points, equilibrium condensation temperatures below 1300 Kelvin, and which are part of the crust or atmosphere of a moon or planet." [https://en.wikipedia.org/wiki/Volatiles] comment: Examples include nitrogen, water, carbon dioxide, ammonia, hydrogen, methane and sulfur dioxide. In astrogeology, these compounds, in their solid state, often comprise large proportions of the crusts of moons and dwarf planets. {xref="https://en.wikipedia.org/wiki/Volatiles"} subset: envoAstro synonym: "volatile" RELATED [] is_a: ENVO:00010483 ! environmental material property_value: IAO:0000116 "Add and axiomatise with moon and lunar crust" xsd:string [Term] id: ENVO:01001155 name: astrogeological gas def: "An astrogeological volatile which is composed primarily of chemical compounds with boiling points around those of hydrogen and helium." [https://en.wikipedia.org/wiki/Volatiles] comment: This is a term native to the fields of planetary science and astrophysics. Hydrogen has a boiling point of 20.271 Kelvin and a melting point of 13.99 Kelvin. Helium has a boiling point of 4.222 Kelvin and a melting point of 0.95 Kelvin. subset: envoAstro synonym: "gas" RELATED [] is_a: ENVO:01001154 ! volatile astrogeological material [Term] id: ENVO:01001164 name: geodiversity def: "A quality which inheres in a astronomical body or astronomical body part by virtue of the variation in its material composition, participation in geological processes, and the variation in is land- and hydroforms." [https://en.wikipedia.org/wiki/Geodiversity] comment: Materials which are usually assessed when appraising geodiversity include minerals, rocks, sediments, fossils, soils and water. Landforms factored into geodiversity metrics typically include folds, faults, and other expressions of morphology or relations between units of earth material. Natural processes that are included in measures of geodiversity are those which either maintain or change materials or geoforms, including tectonics, sediment transport, and pedogenesis. Geodiversity does not usually factor in anthropogenic entities. {xref=""} is_a: PATO:0001241 ! physical object quality [Term] id: ENVO:01001167 name: ecosystem fragment def: "An ecosystem which has been causally isolated from a larger ecosystem within which it was previously embedded, such that the direct exchange of materials, resources, and energy between these systems is severely or entirely curtailed." [] comment: Often, ecosystem fragments are unable to sustain themselves without human intervention and management as they are not large enough to perform self-sustaining functions (e.g. nutrient recycling) or hold sufficient ecological resources such as genetic diversity of populations. is_a: ENVO:01001110 ! ecosystem relationship: formed_as_result_of ENVO:01001168 ! ecosystem fragmentation process [Term] id: ENVO:01001168 name: ecosystem fragmentation process def: "A process during which one or more parts of an ecosystem become causally isolated such that the direct flow or exchange of materials, resources, and energy between a given fragment and the remainder of the original system is severely curtailed or entirely halted." [https://en.wikipedia.org/wiki/Ecosystem_decay, https://en.wikipedia.org/wiki/Habitat_fragmentation, https://en.wikipedia.org/wiki/Population_fragmentation] is_a: ENVO:01001795 ! ecosystem process is_a: GO:0008150 ! biological_process intersection_of: ENVO:01001795 ! ecosystem process intersection_of: has_input ENVO:01001110 ! ecosystem intersection_of: results_in_formation_of ENVO:01001167 ! ecosystem fragment relationship: causally_upstream_of_or_within ENVO:01001174 ! ecosystem decay relationship: has_input ENVO:01001110 ! ecosystem relationship: results_in_formation_of ENVO:01001167 ! ecosystem fragment [Term] id: ENVO:01001170 name: active ecosystem management process def: "A process during which an ecosystem, its parts, or the processes it participates in are modified by human intervention to accomplish an objective." [https://www.iucn.org/theme/protected-areas/about/protected-areas-categories/category-iv-habitatspecies-management-area] synonym: "ecosystem management" EXACT [] synonym: "environmental management" RELATED [] synonym: "Umweltmaßnahme" RELATED [www.awi.de/internas] {created_by="https://orcid.org/0000-0002-9620-2832"} is_a: ENVO:02500026 ! anthropogenic modulatory intervention process is_a: ENVO:02500027 ! anthropogenic environmental process [Term] id: ENVO:01001174 name: ecosystem decay def: "A process during which an ecosystem fragment loses its system integrity, with many of its resident ecological populations 1) losing their habitats, 2) undergoing a loss of functional and phylogenetic diversity, and 3) undergoing a subsequent genetic destabilisation through inbreeding." [https://en.wikipedia.org/wiki/Ecosystem_decay] comment: This process may be caused by direct anthropisation (i.e. the fragmentation of ecosystems due to the establishment of cropland) or by more natural events such as forest fires or erosion of land bridges. is_a: ENVO:01001795 ! ecosystem process relationship: causally_downstream_of_or_within ENVO:01001168 ! ecosystem fragmentation process [Term] id: ENVO:01001176 name: environment associated with an aquatic invertebrate def: "An environment which has its properties and composition largely determined by the presence of a metazoan which lacks a vetebral column and which has a habitat that is found in an aquatic environmental system." [] subset: envoMeo subset: envoOmics xref: http://purl.jp/bio/11/meo/MEO_0000871 {comment="Not currently live, may need to be switched to alternative PURLs."} is_a: ENVO:01001002 ! animal-associated environment [Term] id: ENVO:01001185 name: acidic soil def: "Soil which has increased levels of molecules or ions capable of donating a hydron (proton or hydrogen ion) to other chemical entities, or, alternatively, capable of forming covalent bonds with other chemicals via the acceptance of an electron pair, resulting in a bulk pH measurement of less than 7." [https://en.wikipedia.org/wiki/Acid] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: has_quality PATO:0001429 ! acidic relationship: has_quality PATO:0001429 ! acidic [Term] id: ENVO:01001186 name: acidic volcanic ash def: "Volcanic ash which has increased levels of molecules or ions capable of donating a hydron (proton or hydrogen ion) to other chemical entities, or, alternatively, capable of forming covalent bonds with other chemicals via the acceptance of an electron pair, resulting in a bulk pH measurement of less than 7." [] is_a: ENVO:01000701 ! volcanic ash intersection_of: ENVO:01000701 ! volcanic ash intersection_of: has_quality PATO:0001429 ! acidic relationship: has_quality PATO:0001429 ! acidic [Term] id: ENVO:01001191 name: water surface def: "The surface layer of a volume of water." [] synonym: "surface of a body of water" EXACT [] synonym: "water body surface" EXACT [] xref: EcoLexicon:surface_water xref: https://en.wikipedia.org/wiki/Surface_water xref: SWEETRealm:SurfaceWater is_a: ENVO:01000325 ! aquatic layer is_a: ENVO:01001310 ! liquid surface layer intersection_of: ENVO:01001310 ! liquid surface layer intersection_of: part_of ENVO:00002006 ! liquid water relationship: part_of ENVO:00002006 ! liquid water [Term] id: ENVO:01001192 name: sediment surface def: "The surface layer of a mass of sediment." [] synonym: "surface of a sedimentary mass" EXACT [] synonym: "surface sediment" EXACT [] is_a: ENVO:00010504 ! surface layer intersection_of: ENVO:00010504 ! surface layer intersection_of: part_of ENVO:00002007 ! sediment relationship: part_of ENVO:00002007 ! sediment [Term] id: ENVO:01001195 name: radiation shielding disposition def: "An environmental disposition which inheres in an entity that intercepts, attenuates, or blocks radiation." [] is_a: ENVO:01000452 ! environmental disposition [Term] id: ENVO:01001199 name: terrestrial environmental zone def: "An environmental zone which is bounded by material parts of a land mass or the atmosphere or space adjacent to it." [] is_a: ENVO:01000408 ! environmental zone intersection_of: ENVO:01000408 ! environmental zone intersection_of: part_of ENVO:01000635 ! planetary landmass relationship: part_of ENVO:00000446 ! terrestrial biome relationship: part_of ENVO:01000635 ! planetary landmass [Term] id: ENVO:01001200 name: anthropised terrestrial environmental zone def: "A terrestrial zone which is bounded by constructed, manufactured, or other anthropogenic material entities." [] is_a: ENVO:01001199 ! terrestrial environmental zone intersection_of: ENVO:01001199 ! terrestrial environmental zone intersection_of: part_of ENVO:01000219 ! anthropogenic terrestrial biome relationship: part_of ENVO:01000219 ! anthropogenic terrestrial biome [Term] id: ENVO:01001201 name: marine environmental zone def: "An environmental zone which is bounded by material parts of a marine environment." [] comment: This class will eventually be populated by inference alone, with its subclasses distributed in more process-linked hierarchies to improve semantic density. is_a: ENVO:01000408 ! environmental zone intersection_of: ENVO:01000408 ! environmental zone intersection_of: part_of ENVO:01000320 ! marine environment relationship: part_of ENVO:01000320 ! marine environment [Term] id: ENVO:01001205 name: lithification def: "A process during which sediments compact under pressure, expel connate fluids, and gradually become solid sedimentary rock." [https://en.wikipedia.org/wiki/Lithification] is_a: ENVO:03000043 ! material transformation process is_a: GO:0008150 ! biological_process intersection_of: ENVO:03000043 ! material transformation process intersection_of: has_input ENVO:00002007 ! sediment intersection_of: results_in_formation_of ENVO:00002016 ! sedimentary rock relationship: has_input ENVO:00002007 ! sediment relationship: results_in_formation_of ENVO:00002016 ! sedimentary rock [Term] id: ENVO:01001206 name: grassland ecosystem def: "An ecosystem in which grasses (Graminae) are the dominant form of vegetation and determine the system's structure and dynamics." [https://en.wikipedia.org/wiki/Grassland] synonym: "down" RELATED [USGS:SDTS] synonym: "downland" RELATED [USGS:SDTS] synonym: "downs" RELATED [USGS:SDTS] synonym: "glade" RELATED [ADL:FTT] synonym: "glade" RELATED [USGS:SDTS] synonym: "GRASSLAND" EXACT [USGS:SDTS] synonym: "Grassland" RELATED [NASA:earthrealm] synonym: "grassland" EXACT [Geonames:feature] synonym: "grazing area" RELATED [Getty:TGN] synonym: "grazing area" RELATED [ADL:FTT] synonym: "herbaceous area" RELATED [USGS:SDTS] xref: EcoLexicon:grassland xref: FTT:259 xref: FTT:760 xref: FTT:766 xref: Geonames:V.GRSLD xref: LTER:232 xref: TGN:21604 xref: TGN:54052 is_a: ENVO:01001790 ! terrestrial ecosystem [Term] id: ENVO:01001210 name: defence against flooding def: "A planned process during which an environmental system is modified to mitigate or nullify the impacts of flooding." [] synonym: "defence against floods" RELATED [] synonym: "defense against flooding" EXACT [] synonym: "defense against floods" RELATED [] synonym: "flood defence" RELATED [] synonym: "flood defence intervention" RELATED [] synonym: "flood defense" RELATED [] synonym: "flood defense intervention" RELATED [] is_a: ENVO:02500026 ! anthropogenic modulatory intervention process intersection_of: ENVO:02500026 ! anthropogenic modulatory intervention process intersection_of: negatively_regulates ENVO:02500002 ! flooding relationship: negatively_regulates ENVO:02500002 ! flooding [Term] id: ENVO:01001211 name: stellar radiation def: "An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a star." [https://en.wikipedia.org/wiki/Electromagnetic_radiation, https://en.wikipedia.org/wiki/Solar_irradiance] subset: environmental_hazards subset: envoAstro synonym: "solar radiation" NARROW [NCIT:C44445] xref: NCIT:C44445 is_a: ENVO:01001026 ! electromagnetic radiation intersection_of: ENVO:01001026 ! electromagnetic radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star relationship: process_has_causal_agent ENVO:01000801 ! star [Term] id: ENVO:01001212 name: microwave stellar radiation namespace: ENVO def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter." [https://en.wikipedia.org/wiki/Microwave, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] comment: This definition focuses on the properties of microwaves rather than their wavelength or frequency limits. Considerable ambiguity exists around the wavelength and frequency thresholds of microwaves. The ISO 21348 definition bounds these waves at 1 mm and 15 mm, with frequencies between 100 GHz and 0.225 GHz. subset: envoAstro synonym: "microwave solar radiation" NARROW [] is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001212 ! microwave radiation intersection_of: ENVO:21001212 ! microwave radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:01001213 name: radio wave stellar radiation namespace: ENVO def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths ranging from millimetre to kilometer scales." [https://en.wikipedia.org/wiki/Radio_wave, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] comment: As with microwaves, considerable variation exists in the delimitation of frequency and wavelength thresholds for radiowaves. The ISO 21348 standard allows a wavelength range of 0.10 mm to 100 m and a frequency range of 300 GHz to 3 MHz. However, much lower thresholds also exist. subset: envoAstro synonym: "radio wave solar radiation" NARROW [] is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001213 ! radio wave radiation intersection_of: ENVO:21001213 ! radio wave radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:01001214 name: infrared stellar radiation def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm." [https://en.wikipedia.org/wiki/Infrared, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] subset: envoAstro synonym: "infra-red stellar radiation" EXACT [] synonym: "infrared radiation" BROAD [] synonym: "infrared solar radiation" NARROW [] synonym: "IR stellar radiation" RELATED [] is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001214 ! infrared radiation intersection_of: ENVO:21001214 ! infrared radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star [Term] id: ENVO:01001215 name: visible spectrum stellar radiation namespace: ENVO def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 380 nm and 760 nm." [https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] subset: envoAstro synonym: "optical stellar radiation" EXACT [] synonym: "visible spectrum solar radiation" NARROW [] is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001215 ! visible spectrum radiation intersection_of: ENVO:21001215 ! visible spectrum radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star [Term] id: ENVO:01001216 name: ultraviolet stellar radiation namespace: ENVO def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star at wavelengths between 10 nm and 400 nm." [https://en.wikipedia.org/wiki/Ultraviolet, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] subset: environmental_hazards subset: envoAstro synonym: "ultraviolet solar radiation" NARROW [] xref: NCIT:C17231 is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001216 ! ultraviolet radiation intersection_of: ENVO:21001216 ! ultraviolet radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star property_value: IAO:0000116 "To be expanded to account for subtypes." xsd:string [Term] id: ENVO:01001217 name: X-ray stellar radiation namespace: ENVO def: "A stellar radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy." [https://en.wikipedia.org/wiki/X-ray] comment: Ambiguity exists in the definition of x-rays and their differentiation from gamma rays. Photons with sufficient energy to be classified as x-rays may be emitted by other processes than electrons falling to lower energy states. Most x-rays have wavelengths ranging from 0.01 to 10 nanometers, corresponding to frequencies in the range of 30 petahertz to 30 exahertz and energies in the range of 100 eV to 100 keV. {xref="https://en.wikipedia.org/wiki/X-ray#Energy_ranges"} subset: environmental_hazards subset: envoAstro synonym: "x ray stellar radiation" EXACT [] synonym: "X-ray solar radiation" NARROW [] is_a: ENVO:01001219 ! ionizing stellar radiation is_a: ENVO:21001217 ! X-ray radiation intersection_of: ENVO:21001217 ! X-ray radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:01001218 name: gamma-ray stellar radiation def: "A stellar radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei." [https://en.wikipedia.org/wiki/Gamma_ray] comment: Ambiguity exists in the definition of gamma rays. As a rule of thumb, gamma rays have energies above 100 keV, frequencies above 10 exahertz, and wavelengths less than 10 picometers. However, regardless of the energy released, electromagnetic radiation from radioactive decay of atomic nuclei is referred to as "gamma rays". In astronomy, however, gamma rays are defined by their energy, and no production process needs to be specified. {xref="https://en.wikipedia.org/wiki/Gamma_ray"} subset: environmental_hazards subset: envoAstro synonym: "gamma-ray solar radiation" NARROW [] is_a: ENVO:01001219 ! ionizing stellar radiation is_a: ENVO:21001218 ! gamma-ray radiation intersection_of: ENVO:21001218 ! gamma-ray radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:01001219 name: ionizing stellar radiation namespace: ENVO def: "A stellar radiation process during which electromagnetic waves or their quanta are emitted from a star with sufficient energy to disrupt molecular bonds or alter the electron number of atoms." [https://en.wikipedia.org/wiki/Electromagnetic_radiation, https://en.wikipedia.org/wiki/Solar_irradiance] subset: envoAstro synonym: "ionising solar radiation" NARROW [] synonym: "ionising stellar radiation" EXACT [] is_a: ENVO:01001211 ! stellar radiation is_a: ENVO:21001219 ! ionizing radiation intersection_of: ENVO:21001219 ! ionizing radiation intersection_of: process_has_causal_agent ENVO:01000801 ! star [Term] id: ENVO:01001222 name: commercial building def: "A building which is primarily used to facilitate the buying or selling of goods or services." [https://en.wikipedia.org/wiki/Commercial_building] comment: "Commerce includes legal, economic, political, social, cultural and technological systems that are in operation in any country or internationally." {xref="https://en.wikipedia.org/wiki/Commerce"} is_a: ENVO:00000073 ! building intersection_of: ENVO:00000073 ! building intersection_of: participates_in ENVO:01001451 ! usage of an environment for business relationship: participates_in ENVO:01001451 ! usage of an environment for business property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01001223 name: lumber production process def: "A process during which wood is processed into beams or planks." [https://en.wikipedia.org/wiki/Lumber] synonym: "lumber production" EXACT [] synonym: "timber production" EXACT [] synonym: "timber production process" EXACT [] is_a: ENVO:01000994 ! planetary manufacturing process [Term] id: ENVO:01001224 name: office def: "A building part within which administrative work is done by an organisations users in order to support and realise the objectives of that organization." [https://en.wikipedia.org/wiki/Office#Office_buildings] is_a: ENVO:01000420 ! building part [Term] id: ENVO:01001226 name: terrestrial natural environment def: "A natural environment which is located on a land mass." [] is_a: ENVO:01000951 ! natural environment intersection_of: ENVO:01000951 ! natural environment intersection_of: part_of ENVO:01000635 ! planetary landmass relationship: part_of ENVO:01000635 ! planetary landmass [Term] id: ENVO:01001227 name: aquatic natural environment def: "A natural environment which is within a water body." [] is_a: ENVO:01000951 ! natural environment intersection_of: ENVO:01000951 ! natural environment intersection_of: part_of ENVO:00000063 ! water body relationship: part_of ENVO:00000063 ! water body [Term] id: ENVO:01001239 name: forest canopy xref: EcoLexicon:canopy xref: https://en.wikipedia.org/wiki/Canopy xref: LTER:82 xref: SWEETRealm:Canopy is_a: ENVO:01001242 ! canopy relationship: part_of ENVO:01001243 ! forest ecosystem [Term] id: ENVO:01001242 name: canopy def: "A vegetation layer which is formed by a collection of individual plant crowns, themselves constituting part of the aboveground portion of a plant community." [https://en.wikipedia.org/wiki/Canopy_%28biology%29] comment: false xref: EcoLexicon:canopy xref: LTER:82 xref: SWEETRealm:Canopy is_a: ENVO:01000355 ! vegetation layer [Term] id: ENVO:01001243 name: forest ecosystem def: "An ecosystem which is determined by communities of plants with a tree growth form and in which members of those communities form continuous or discontinuous regions of canopy cover." [http://www.fao.org/docrep/017/ap862e/ap862e00.pdf] {comment="https://www1.usgs.gov/csas/nvcs/nvcsGetUnitDetails?elementGlobalId=860217"} comment: The definitions of forest can vary greatly, and different classes will be needed to support the major categories. Tree cover alone is not enough to distinguish between forests and plantations. The international definition proposed by the 2010 FAO Forestry Resource Assessment: "land spanning more than 0.5 ha with trees higher than 5 metres and canopy cover of more than 10 percent, or trees able to reach these thresholds in situ . It does not include land that is predominantly under agricultural or urban land use." - FAO. 2010. Global forest resources assessment 2010, Main report, FAO Forestry Paper 163. Rome. is_a: ENVO:01001790 ! terrestrial ecosystem relationship: has_part ENVO:01001239 ! forest canopy property_value: IAO:0000116 "The correct usage of FLOPO terms in the axiomatisation needs to be confirmed." xsd:string [Term] id: ENVO:01001244 name: cropland ecosystem def: "An ecosystem which 1) is determined by communities of annual crops, perennial woody crops, or by actively tilled land, 2) is primarily used for agricultural activity, and 3) contains no village or larger human settlement." [http://dx.doi.org/10.1890/070062] is_a: ENVO:01001790 ! terrestrial ecosystem [Term] id: ENVO:01001246 name: agricultural process def: "A process during which humans rear animals or plants on land for harvest and consumption." [] {comment="http://www.fao.org/docrep/003/x6941e/x6941e04.htm#bm04"} synonym: "agriculture" RELATED [] is_a: ENVO:02500027 ! anthropogenic environmental process relationship: BFO:0000066 ENVO:01000635 ! occurs in planetary landmass property_value: IAO:0000116 "Expand the sites of occurrence listed as axioms as new terms emerge." xsd:string [Term] id: ENVO:01001271 name: impermeable surface layer def: "A surface layer through which liquids or gases cannot pass." [https://en.wikipedia.org/wiki/Impervious_surface] is_a: ENVO:01001311 ! solid surface layer intersection_of: ENVO:01001311 ! solid surface layer intersection_of: has_quality PATO:0000983 ! impermeable relationship: has_quality PATO:0000983 ! impermeable [Term] id: ENVO:01001272 name: constructed pavement def: "A construction which comprises a durable surface layer overlying a solid surface intended to sustain vehicular or foot traffic." [https://en.wikipedia.org/wiki/Road_surface] is_a: ENVO:00000010 ! transport feature relationship: has_quality PATO:0002124 ! laminar [Term] id: ENVO:01001273 name: liquid layer def: "A layer which is primarily composed of some liquid material." [] is_a: ENVO:01001678 ! fluid layer intersection_of: ENVO:01001678 ! fluid layer intersection_of: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material relationship: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material [Term] id: ENVO:01001275 name: solid layer def: "A layer which is primarily composed of some solid material, allowing for non-solid parts such as interstitial pockets of gas or liquid." [] is_a: ENVO:01000281 ! layer intersection_of: ENVO:01000281 ! layer intersection_of: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material relationship: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material [Term] id: ENVO:01001276 name: water ice layer def: "A solid layer which is primarily composed of some water-based ice." [] is_a: ENVO:01001275 ! solid layer is_a: ENVO:01001609 ! cryospheric layer intersection_of: ENVO:01001275 ! solid layer intersection_of: RO:0002473 ENVO:01000277 ! composed primarily of water ice relationship: RO:0002473 ENVO:01000277 ! composed primarily of water ice [Term] id: ENVO:01001279 name: sidewalk def: "A constructed pavement which is built on the side of a road and intended for foot traffic." [https://en.wikipedia.org/wiki/Sidewalk] comment: "In some places, the same term may also be used for a paved path, trail or footpath that is not next to a road, for example, a path through a park." {xref="https://en.wikipedia.org/wiki/Sidewalk"} synonym: "footpath" RELATED [] synonym: "footway" RELATED [] synonym: "pavement" BROAD [] is_a: ENVO:01001272 ! constructed pavement [Term] id: ENVO:01001282 name: silica dust def: "Dust which is composed primarily of slicon dioxide." [] is_a: ENVO:00002008 ! dust relationship: RO:0002473 CHEBI:30563 ! composed primarily of silicon dioxide [Term] id: ENVO:01001283 name: aluminium dust def: "Dust which is primarily composed of aluminium particles." [] is_a: ENVO:00002008 ! dust is_a: ENVO:01000256 ! mineral material intersection_of: ENVO:00002008 ! dust intersection_of: RO:0002473 CHEBI:33628 ! composed primarily of elemental aluminium relationship: RO:0002473 CHEBI:33628 ! composed primarily of elemental aluminium [Term] id: ENVO:01001284 name: barium dust def: "Dust which is primarily composed of barium particles." [] is_a: ENVO:00002008 ! dust [Term] id: ENVO:01001285 name: talc dust def: "Dust which is primarily composed of hydrated magnesium silicate (talc) particles." [] is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0002473 CHEBI:32178 ! composed primarily of Talc relationship: RO:0002473 CHEBI:32178 ! composed primarily of Talc [Term] id: ENVO:01001286 name: slate dust def: "Dust which is primarily composed of slate particles." [] is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:01000274 ! derives from slate relationship: RO:0001000 ENVO:01000274 ! derives from slate [Term] id: ENVO:01001287 name: industrial fire def: "A fire which occurs in an industrial area or building." [] subset: environmental_hazards is_a: ENVO:01000786 ! fire intersection_of: ENVO:01000786 ! fire intersection_of: BFO:0000066 ENVO:00003861 ! occurs in industrial building relationship: BFO:0000066 ENVO:00003861 ! occurs in industrial building [Term] id: ENVO:01001288 name: kaolin dust def: "Dust which is primarily composed of kaolinite particles." [] synonym: "kaolinite dust" EXACT [] is_a: ENVO:02000100 ! mineral dust relationship: RO:0002473 CHEBI:140503 ! composed primarily of kaolin [Term] id: ENVO:01001293 name: bush area def: "A vegetated area which has not been cleared or is sparsely settled, usually scrub-covered or forested" [https://www.merriam-webster.com/dictionary/bush#h1] comment: "Bush" is a rather loosely defined regional term, primarily used in Australia. synonym: "the bush" RELATED [] is_a: ENVO:01001305 ! vegetated area [Term] id: ENVO:01001294 name: convective storm def: "An atmospheric storm which is generated by the heating and convection of moist and unstable air masses." [http://glossary.ametsoc.org/wiki/Convective_storm, http://www.emdat.be/Glossary] comment: "Convective storms range from localised thunderstorms (with heavy rain and/or hail, lightning, high winds, tornadoes) to meso-scale, multi-day events." {xref="http://www.emdat.be/Glossary"} subset: envoAtmo is_a: ENVO:01000877 ! atmospheric storm [Term] id: ENVO:01001296 name: tropical storm def: "A an atmospheric storm which originates over tropical or subtropical waters and possesses a warm-core, non-frontal synoptic-scale cyclone with a low pressure centre, spiral rain bands and strong winds." [http://www.emdat.be/Glossary] subset: environmental_hazards subset: envoAtmo is_a: ENVO:01000877 ! atmospheric storm [Term] id: ENVO:01001297 name: cyclone def: "An atmospheric storm during which a large mass of atmospheric gas rotates around a centre of low atmospheric pressure, generating high winds which spiral towards that centre." [https://en.wikipedia.org/wiki/Cyclone] subset: environmental_hazards subset: envoAtmo is_a: ENVO:01000877 ! atmospheric storm relationship: causally_downstream_of_or_within ENVO:01001748 ! cyclonic circulation [Term] id: ENVO:01001299 name: atmospheric zone def: "An environmental zone which is part of an atmosphere." [] synonym: "atmospheric area" EXACT [] is_a: ENVO:01000408 ! environmental zone intersection_of: ENVO:01000408 ! environmental zone intersection_of: part_of ENVO:01000267 ! atmosphere relationship: part_of ENVO:01000267 ! atmosphere [Term] id: ENVO:01001300 name: area of low atmospheric pressure def: "An atmospheric zone in which atmospheric gaseous masses have reduced atmospheric pressure." [] comment: Air is not specified directly (although the definition subsumes air masses) to allow for other forms of low pressure areas in planetary atmospheres. is_a: ENVO:01001299 ! atmospheric zone [Term] id: ENVO:01001305 name: vegetated area def: "A vegetated area is a geographic feature which has ground cover dominated by plant communities." [] subset: envoPolar is_a: ENVO:01001199 ! terrestrial environmental zone created_by: ORCID:0000-0002-4366-3088 [Term] id: ENVO:01001308 name: hydroform def: "A liquid astronomical body part which is primarily composed of a continuous volume of liquid water and is held in shape or sustained by an environmental process." [] comment: Similar, in spirit, to landform. is_a: ENVO:01001477 ! liquid astronomical body part intersection_of: ENVO:01001477 ! liquid astronomical body part intersection_of: part_of ENVO:00000063 ! water body intersection_of: RO:0002473 ENVO:00002006 ! composed primarily of liquid water relationship: part_of ENVO:00000063 ! water body relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water property_value: IAO:0000116 "Should create links to envrionmental process with new relation like \"sustained_by\"" xsd:string {created_by="ORCID:0000-0002-4366-3088"} [Term] id: ENVO:01001309 name: liquid air-water interface layer def: "A liquid surface layer which is in contact with air." [] is_a: ENVO:01001310 ! liquid surface layer intersection_of: ENVO:01001310 ! liquid surface layer intersection_of: RO:0002220 ENVO:00002005 ! adjacent to air relationship: RO:0002220 ENVO:00002005 ! adjacent to air [Term] id: ENVO:01001310 name: liquid surface layer def: "A surface layer which is composed primarily of some liquid." [] is_a: ENVO:01001273 ! liquid layer is_a: ENVO:01001673 ! fluid surface layer intersection_of: ENVO:01001673 ! fluid surface layer intersection_of: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material [Term] id: ENVO:01001311 name: solid surface layer def: "A surface layer which is composed primarily of solid environmental material." [] is_a: ENVO:00010504 ! surface layer is_a: ENVO:01001275 ! solid layer intersection_of: ENVO:00010504 ! surface layer intersection_of: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material [Term] id: ENVO:01001319 name: saline water body def: "A body of water which is primarily composed of saline water." [] comment: This class has its subclasses populated by inference. synonym: "saline body of water" EXACT [] is_a: ENVO:00000063 ! water body intersection_of: ENVO:00000063 ! water body intersection_of: RO:0002473 ENVO:00002010 ! composed primarily of saline water relationship: RO:0002473 ENVO:00002010 ! composed primarily of saline water [Term] id: ENVO:01001320 name: fresh water body alt_id: LTER:216 {xref="https://vocab.lternet.edu/vocab/vocab/index.php?tema=216&/freshwater"} def: "A body of water which is primarily composed of freshwater, with low solute content." [] comment: This class has its subclasses primarily populated by inference. The threshold for what constitutes "fresh" water is variable and should typically be deferred to an applicatoin layer resource. synonym: "fresh body of water" EXACT [] synonym: "freshwater body" EXACT [] is_a: ENVO:00000063 ! water body intersection_of: ENVO:00000063 ! water body intersection_of: RO:0002473 ENVO:00002011 ! composed primarily of fresh water relationship: RO:0002473 ENVO:00002011 ! composed primarily of fresh water [Term] id: ENVO:01001334 name: advective transport process def: "A material transport process during which a volume of material is displaced due to a disequilibrium in physical forces and during which 1) the qualities that inhere in that volume and 2) the processes that are unfolding within it are largely unchanged." [https://en.wikipedia.org/wiki/Advection, https://en.wikipedia.org/wiki/Intensive_and_extensive_properties] comment: Advective processes are disjoint from diffusive processes. Typically, fluids are advected. synonym: "advective transport" EXACT [] is_a: ENVO:03000010 ! material transport process intersection_of: ENVO:03000010 ! material transport process intersection_of: has_characteristic ENVO:01003012 ! advective relationship: has_characteristic ENVO:01003012 ! advective relationship: has_part ENVO:01003010 ! convective transport process relationship: has_part ENVO:01003013 ! material diffusion process [Term] id: ENVO:01001346 name: erosion def: "An action of exogenic processes (such as water flow or wind) which remove environmental material from one location on the surface of an astronomical body, transporting it to another location where it is deposited." [https://en.wikipedia.org/wiki/Erosion] is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:01001357 name: desert def: "A landform which has been rendered barren or partially barren by environmental extremes, especially by low rainfall." [] is_a: ENVO:01001884 ! surface landform relationship: overlaps ENVO:00000097 ! desert area [Term] id: ENVO:01001359 name: atmospheric aerosolised particle formation event def: "An aerosol formation event which occurs in an atmosphere." [https://github.com/EnvironmentOntology/envo/issues/602] comment: Note that the detection of such events, and thus the thresholds used to define them in the field, are operational and dependent on the technology and observation strategy used. The event must be intense enough, occur in a large enough area, and persist for enough time to allow the formed particle population to be observed. There are no exact or universally agreed upon thresholds for the intensity, area and duration of such events. If elevated new particle formation rate is observed in the atmosphere (away from direct sources of the related gas-phase molecules) for an operationally defined period of time, practitioners often declare that such an event has taken place. {xref="https://github.com/EnvironmentOntology/envo/issues/602"} subset: envoAtmo synonym: "rapid formation of liquid or solid particles from gaseous material in an atmosphere" BROAD [] is_a: ENVO:01001372 ! aerosolised particle formation event is_a: ENVO:02500003 ! atmospheric process intersection_of: ENVO:01001372 ! aerosolised particle formation event intersection_of: BFO:0000066 ENVO:01000267 ! occurs in atmosphere [Term] id: ENVO:01001364 name: climate system def: "A system which consists of an atmosphere, hydrosphere, cryosphere, land surface, and biosphere, forced or influenced by external processes." [https://github.com/EnvironmentOntology/envo/issues/604, https://www.ipcc.ch/ipccreports/tar/wg1/040.htm] comment: This class, from the IPCC report, is naturally focused on the Earth's climate. The report cites the Sun as the agent of the most important forcing processes. It also considers the direct effect of human activities on the climate system an external forcing {xref="https://www.ipcc.ch/ipccreports/tar/wg1/040.htm"} is_a: ENVO:01001110 ! ecosystem [Term] id: ENVO:01001366 name: aerosolised particle formation process def: "A process during which particles suspended in a gaseous medium are formed." [https://en.wikipedia.org/wiki/Aerosol, https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "new particle formation process" EXACT [] is_a: ENVO:01001084 ! particulate matter formation process relationship: has_input ENVO:01000797 ! gaseous environmental material relationship: part_of ENVO:01001654 ! aerosol formation process [Term] id: ENVO:01001367 name: primary aerosol formation process def: "A material transport process during which solid or liquid particles are directly introduced into a volume of gas." [https://en.wikipedia.org/wiki/Aerosol, https://en.wikipedia.org/wiki/Particulates] synonym: "primary aerosol formation" RELATED [] is_a: ENVO:03000010 ! material transport process relationship: has_output ENVO:00010505 ! aerosol [Term] id: ENVO:01001372 name: aerosolised particle formation event def: "An aerosol formation process during which the rate of particle formation exceeds that which is normally present in the site of its occurrence." [] {comment="https://github.com/EnvironmentOntology/envo/issues/602"} comment: This is similar to the semantics of storms, where increased rates are observed due to external forcings. subset: envoAtmo is_a: ENVO:01001366 ! aerosolised particle formation process intersection_of: ENVO:01001366 ! aerosolised particle formation process intersection_of: has_quality PATO:0000912 ! increased rate relationship: has_quality PATO:0000912 ! increased rate created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001398 name: aerosolisation of dust def: "A primary aerosol formation process during which dust particles are suspended in a gaseous medium." [] is_a: ENVO:01001367 ! primary aerosol formation process relationship: has_input ENVO:00002008 ! dust created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001399 name: atmospheric aerosolisation of dust def: "A process during which dust is aerosolised in an atmosphere." [] synonym: "dust event" EXACT [] is_a: ENVO:01001398 ! aerosolisation of dust is_a: ENVO:02500003 ! atmospheric process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001402 name: haze def: "An aersolised mass of dust, smoke, or other dry particulates which scatters visible light thus obsscuring visibility through an atmosphere." [https://en.wikipedia.org/wiki/Haze] subset: envoAtmo is_a: ENVO:01001089 ! aerosolised solids is_a: ENVO:01001652 ! atmospheric aerosol created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001405 name: laboratory environment def: "An anthropogenic environment which is bounded by the building envelope of a laboratory and in which a system of manufactured products exert control on one or more of its environmental conditions." [] is_a: ENVO:01000313 ! anthropogenic environment created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001406 name: laboratory facility def: "A research facility in which systems of manufactured products control internal conditions and in which scientific or technological research, experiments, and measurement may be performed." [https://en.wikipedia.org/wiki/Laboratory] synonym: "research laboratory" EXACT [] is_a: ENVO:00000469 ! research facility relationship: has_part ENVO:01001405 ! laboratory environment created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0002-9578-0788 [Term] id: ENVO:01001414 name: cumulus cloud alt_id: Cu def: "A cloud which 1) has been shaped into rising mounds, domes, or towers with a bulging upper part resembling a cauliflower and a near horizontal or ragged base, 2) is mainly composed of water droplets, 3) is located in the low level of the atmosphere (low étage)." [https://cloudatlas.wmo.int/clouds-genera-cumulus.html, https://cloudatlas.wmo.int/clouds-genera.html, https://cloudatlas.wmo.int/docs/Excerpt%20from%20wmo_49-1_final_2017.pdf, https://en.wikipedia.org/wiki/Cloud] comment: When well-illuminated by sunlight (excluding during sunrise and sunset) cumulus has has brilliant white sunlit parts and a dark grey base. Cumulus clouds have sharp outlines. When of great vertical extent, cumulus may release precipitation in the form of showers of rain, snow or snow pellets. Cumulus clouds usually have their bases in the low atmospheric level (low étage), but their vertical extent is often so great that their tops may reach into the middle and high atmospheric levels (middle and high étage). subset: envoAtmo subset: envoCloudAtlas synonym: "Cumuluswolke" EXACT [] synonym: "Haufenwolke" EXACT [] synonym: "Kumuluswolke" EXACT [] synonym: "Quellwolke" EXACT [] is_a: ENVO:01001428 ! water-based cloud is_a: ENVO:01001690 ! mass of liquid relationship: has_quality PATO:0001789 ! domed relationship: part_of ENVO:03520000 ! low atmospheric level relationship: RO:0002473 ENVO:00002006 ! composed primarily of liquid water property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "Add more PATO qualities once they have been added to PATO. Note that the domed quality refers to the cauliflower shape (which is itself a variant of domed). This should be replaced with cauliflower shaped once in ENVO." xsd:string created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001415 name: homogenitus cloud def: "A cloud which is formed by condensation events triggered by some anthropogenic processes or the outputs thereof, such as aircraft contrails or emissions from chimneys." [https://cloudatlas.wmo.int/clouds-genera.html, https://cloudatlas.wmo.int/docs/Excerpt%20from%20wmo_49-1_final_2017.pdf, https://cloudatlas.wmo.int/homogenitus.html, https://en.wikipedia.org/wiki/Cloud] subset: envoAtmo is_a: ENVO:01001428 ! water-based cloud intersection_of: ENVO:01001428 ! water-based cloud intersection_of: formed_as_result_of ENVO:02500027 ! anthropogenic environmental process relationship: formed_as_result_of ENVO:02500027 ! anthropogenic environmental process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001419 name: cumulonimbus cloud alt_id: Cb def: "A cloud which 1) has been shaped into dense, mountain-like forms or one or more tower-like forms with a flattened upper portion, which often spreads out in the shape of an anvil or plume, 2) is composed of water droplets and, especially in its upper portion, ice crystals, 3) is located in the low level of the atmosphere (low étage), but can extend into the middle and high level of the atmosphere." [https://cloudatlas.wmo.int/clouds-genera-cumulonimbus.html, https://cloudatlas.wmo.int/clouds-genera.html, https://cloudatlas.wmo.int/docs/Excerpt%20from%20wmo_49-1_final_2017.pdf, https://en.wikipedia.org/wiki/Cloud] comment: Cumulonimbus clouds have a very dark base which may be merged with low ragged clouds which frequently form underneath this cloud. The upper portion may be smooth, fibrous, or striated. Cumulonimbus also contains large raindrops and, often, snowflakes, snow pellets or hailstones. The water droplets and raindrops may be substantially supercooled. Cumulonimbus is frequently associated with precipitation, sometimes in the form of virga. Cumulonimbus is often accompanied by lightning, thunder or hail. Cumulonimbus usually have their bases in the low level, but their vertical extent is often so great that their tops may reach into the middle and high levels. subset: envoAtmo subset: envoCloudAtlas synonym: "Cumulonibus-Wolke" EXACT [] synonym: "Gewitterwolke" EXACT [] is_a: ENVO:01001428 ! water-based cloud relationship: has_quality PATO:0000586 ! increased size relationship: has_quality PATO:0001788 ! increased mass density property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "Add more PATO qualities once they have been added to PATO." xsd:string created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001428 name: water-based cloud def: "A cloud which is primarily composed of water-based aerosols." [https://cloudatlas.wmo.int/introduction-and-principles-of-cloud-classification.html, https://en.wikipedia.org/wiki/Cloud] comment: On Earth clouds are formed by the saturation of air in the homosphere when air cools or gains water vapor. Note that this class describes clouds as countable objects, rather than 'cloud material'. It also refers only to clouds made up of a water-based material. subset: envoAtmo synonym: "cloud mass" BROAD [] is_a: ENVO:01000760 ! cloud is_a: ENVO:01001010 ! hydrometeor relationship: has_part ENVO:01000833 ! water droplet created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001429 name: land conversion process def: "An anthropisation process during which terrestrial environments - natural or anthropised - or parts thereof are altered to facilitate human activities such as agriculture, settlement, or commerce." [https://en.wikipedia.org/wiki/Land_development] comment: Further examples include subdividing real estate into lots, typically for the purpose of building homes and converting unused factories into condominia. {xref="https://en.wikipedia.org/wiki/Land_development"} synonym: "land conversion" EXACT [] synonym: "land development" EXACT [] is_a: ENVO:01000743 ! land consumption process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001430 name: agricultural land conversion process def: "A land conversion process during which terrestrial ecosystems are altered to facilitate agricultural activities such as crop cultivation or the rearing of livestock." [https://en.wikipedia.org/wiki/Land_development] comment: This process typically relies on the conversion and development of forests, savannas or grassland. Creation of farmland from wasteland, deserts or previous impervious surfaces is considerably less frequent because of the presence of degraded soil or the lack of fertile soil. {xref="https://en.wikipedia.org/wiki/Land_development"} synonym: "agricultural land conversion" EXACT [] is_a: ENVO:01001429 ! land conversion process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001431 name: land use process def: "An anthropogenic environmental process which includes all human activities undertaken in a natural, semi-natural, or anthropised environment." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use] comment: There are multiple systems of land use classification. This hierarchy aims to be generally applicable, but national systems can be added on request. is_a: ENVO:01001436 ! planned environmental usage process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001433 name: terrestrial mining def: "A land use process during which materials of economic value are extracted from a planet, usually from an orebody, lode, vein, seam, reef or placer deposit." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use, https://en.wikipedia.org/wiki/Mining, https://www.eionet.europa.eu/gemet/en/concept/14837] synonym: "mining" BROAD [] is_a: ENVO:01001431 ! land use process is_a: ENVO:01001437 ! mining created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001434 name: anthropogenic ecosystem conversion process def: "A process during which an ecosystem - natural or anthropised - is changed by the actions of humans." [] is_a: ENVO:02500027 ! anthropogenic environmental process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001436 name: planned environmental usage process def: "A planned process during which humans access and obtain resources, benefits, or services from a natural or anthropised ecosystem." [] is_a: ENVO:02500027 ! anthropogenic environmental process is_a: OBI:0000011 ! planned process relationship: has_part ENVO:01001170 ! active ecosystem management process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001437 name: mining def: "A planned environmental usage process during which a non-renewable resource such as petroleum, natural gas, or water is extracted from an ecosystem." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use, https://en.wikipedia.org/wiki/Mining, https://www.eionet.europa.eu/gemet/en/concept/14837] is_a: ENVO:01001436 ! planned environmental usage process relationship: has_part ENVO:01000785 ! material extraction process relationship: has_part ENVO:01001168 ! ecosystem fragmentation process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001439 name: marine mining def: "A mining process which occurs in a marine ecosystem." [] is_a: ENVO:01001437 ! mining created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001444 name: usage of an environment for transportation def: "A planned environmental usage process during which an environment facilitates the movement of materials and material objects (persons or goods) from place to place, typically with the assistance of a vehicle." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use, https://www.eionet.europa.eu/gemet/en/concept/8641] synonym: "transportation" BROAD [] is_a: ENVO:01001436 ! planned environmental usage process relationship: has_part ENVO:03000010 ! material transport process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001450 name: usage of an environment for industry def: "A planned environmental usage process during which an environment supports manufacturing facilities producing commodities that are sold with the expectation of recovering the total cost of production." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use, https://www.eionet.europa.eu/gemet/en/concept/4279] comment: This class includes environments used to support the facilities engaged with a broad variety of manufacturing activities from food and tobacco, to textiles, metals, vehicles, and chemicals. is_a: ENVO:01001436 ! planned environmental usage process relationship: has_output ENVO:00002267 ! industrial waste material created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001451 name: usage of an environment for business def: "A planned environmental usage process during which an environment supports facilities associated with commerce or the earning of a livelihood through means other than manufacturing or the provision of a public service." [https://assets.publishing.service.gov.uk/government/uploads/system/uploads/attachment_data/file/11493/144275.pdf, https://en.wikipedia.org/wiki/Land_use, https://www.eionet.europa.eu/gemet/en/concept/1084] comment: This class includes activities carried out in commercial offices, meeting centres, art studios, recording studios, film sets, warehouses, and distribution centres. is_a: ENVO:01001436 ! planned environmental usage process created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001476 name: body of liquid def: "A liquid astronomical body part which is continuous and is delimited by physical discontinuities or non-liquid boundaries." [] is_a: ENVO:01001477 ! liquid astronomical body part created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001477 name: liquid astronomical body part def: "A part of an astronomical body which is primarily composed of a continuous volume of liquid material, shaped by one or more environmental processes." [https://en.wikipedia.org/wiki/Landform] is_a: ENVO:01001479 ! fluid astronomical body part is_a: ENVO:01001784 ! compound astronomical body part relationship: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001478 name: gaseous astronomical body part def: "A part of an astronomical body which is primarily composed of a continuous volume of gaseous material, shaped by one or more environmental processes." [https://en.wikipedia.org/wiki/Landform] is_a: ENVO:01001479 ! fluid astronomical body part is_a: ENVO:01001784 ! compound astronomical body part relationship: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material created_by: https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01001479 name: fluid astronomical body part def: "A part of an astronomical body which is primarily composed of a continuous volume of liquid or gaseous material, shaped by one or more environmental processes." [https://en.wikipedia.org/wiki/Landform] is_a: ENVO:01000813 ! astronomical body part created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-04T13:59:22Z [Term] id: ENVO:01001482 name: tornado def: "A tornado is an aeroform consisting of at least one rapidly rotating column of air that is in contact with both the surface of an astronomical body and pendant from within or beneath a cumulonimbus or cumulus cloud." [https://en.wikipedia.org/wiki/Tornado] comment: This class refers to tornados on Earth, but can be used as the basis for a more generalised class for tornados which a composed of gaseous materials other than air. synonym: "cyclone" RELATED [] synonym: "twister" EXACT [] synonym: "whirlwind" RELATED [] is_a: ENVO:00000191 ! solid astronomical body part is_a: ENVO:01000755 ! aeroform relationship: has_quality PATO:0002063 ! columnar relationship: RO:0002220 ENVO:01000324 ! adjacent to planetary surface relationship: RO:0002473 ENVO:00002005 ! composed primarily of air created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-04T16:52:06Z [Term] id: ENVO:01001483 name: surface of an astronomical body def: "A surface layer where the solid or liquid material of an astronomical body comes into contact with an atmosphere or outer space." [] comment: a useful class: this can be used to define sub-terrestrial and sub-marine entities synonym: "land surface" RELATED [] is_a: ENVO:00010504 ! surface layer intersection_of: ENVO:00010504 ! surface layer intersection_of: part_of ENVO:01000799 ! astronomical body relationship: part_of ENVO:01000799 ! astronomical body created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-04T16:55:57Z [Term] id: ENVO:01001486 name: landspout def: "A tornado which a) is not associated with a mesocyclone and is thus relatively weak and short-lived, b) is centred on a small, smooth condensation funnel which often does not reach the planetary surface, and c) forms a distinctively laminar cloud of dust when it makes contact with the land." [https://en.wikipedia.org/wiki/Tornado] synonym: "dust-tube tornado" EXACT [] synonym: "fair weather waterspout on land" EXACT [] synonym: "land spout" EXACT [] is_a: ENVO:01001482 ! tornado created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-04T19:01:01Z [Term] id: ENVO:01001487 name: waterspout def: "A tornado which connects a cumulus or cumulonimbus cloud to a body of water, often transporting water from that water body along the spiraling winds constituting its vortex." [https://en.wikipedia.org/wiki/Tornado] comment: Wikipedia notes that there is disagreement over whether to classify waterspouts as true tornadoes. synonym: "water spout" EXACT [] is_a: ENVO:01001482 ! tornado created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-04T19:01:17Z [Term] id: ENVO:01001491 name: flattened elevation def: "An elevation which is flattened across its highest surface." [] is_a: ENVO:00000176 ! elevated landform intersection_of: ENVO:00000176 ! elevated landform intersection_of: has_quality PATO:0002254 ! flattened relationship: has_quality PATO:0002254 ! flattened created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2018-10-05T21:12:47Z [Term] id: ENVO:01001501 name: radiation from a manufactured product def: "An electromagnetic radiation process during which electromagnetic waves or their quanta are emitted from a manufactured product." [https://en.wikipedia.org/wiki/Electromagnetic_radiation, https://en.wikipedia.org/wiki/Solar_irradiance] subset: environmental_hazards subset: envoAstro synonym: "anthropogenic radiation" BROAD [] synonym: "artificial radiation" EXACT [] is_a: ENVO:01001026 ! electromagnetic radiation intersection_of: ENVO:01001026 ! electromagnetic radiation intersection_of: process_has_causal_agent ENVO:00003074 ! manufactured product relationship: process_has_causal_agent ENVO:00003074 ! manufactured product created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-09T09:07:24Z [Term] id: ENVO:01001510 name: material congelation process def: "A material transformation process during which a material's viscosity increase either through a reduction in temperature, through chemical reactions, or other physical effects." [https://en.wikipedia.org/wiki/Congelation] comment: Sometimes the increase in viscosity is great enough to crystallize or solidify the substance in question. {xref="https://en.wikipedia.org/wiki/Congelation"} synonym: "congelation" EXACT [] synonym: "congelation process" EXACT [] is_a: ENVO:03000043 ! material transformation process created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-14T18:47:32Z [Term] id: ENVO:01001524 name: frozen land def: "Land which is below the freezing point of water." [https://orcid.org/0000-0003-4808-4736] comment: Perennially and seasonally frozen ground can vary from being partially to extensively frozen depending on the extent of the phase change. It may be described as hard frozen ground, plastic frozen ground, or dry frozen ground, depending on the pore ice and unfrozen water contents and its compressibility under load. {xref="https://orcid.org/0000-0003-4808-4736"} synonym: "frozen ground" EXACT [] xref: http://sweetontology.net/realmCryo/FrozenGround is_a: ENVO:01001785 ! land intersection_of: ENVO:01001785 ! land intersection_of: has_quality PATO:0001985 ! frozen relationship: has_quality PATO:0001985 ! frozen created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-14T21:18:19Z [Term] id: ENVO:01001526 name: frozen soil def: "Soil which is below the freezing point of water." [] is_a: ENVO:00001998 ! soil intersection_of: ENVO:00001998 ! soil intersection_of: has_quality PATO:0001985 ! frozen relationship: has_quality PATO:0001985 ! frozen relationship: part_of ENVO:01001524 ! frozen land created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-14T21:26:59Z [Term] id: ENVO:01001548 name: freezing def: "A material congelation process during which a liquid turns into a solid when its temperature is lowered below its melting point." [https://en.wikipedia.org/wiki/Freezing] subset: envoCryo subset: envoPolar xref: http://sweetontology.net/procStateChange/Freezing is_a: ENVO:01001510 ! material congelation process created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-31T21:13:16Z [Term] id: ENVO:01001549 name: freezing of water into water ice def: "A freezing process during which liquid water is transformed into water ice." [] is_a: ENVO:01001548 ! freezing is_a: ENVO:02500031 ! hydrological process intersection_of: ENVO:01001548 ! freezing intersection_of: has_input ENVO:00002006 ! liquid water intersection_of: has_output ENVO:01000277 ! water ice relationship: has_input ENVO:00002006 ! liquid water relationship: has_output ENVO:01000277 ! water ice created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-01-31T21:16:46Z [Term] id: ENVO:01001554 name: surface layer of a water body def: "A water surface that is part of a water body." [] is_a: ENVO:01001191 ! water surface is_a: ENVO:01001483 ! surface of an astronomical body intersection_of: ENVO:01001191 ! water surface intersection_of: part_of ENVO:00000063 ! water body relationship: part_of ENVO:00000063 ! water body created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-02-27T21:22:13Z [Term] id: ENVO:01001564 name: rain def: "An aggregate of raindrops falling to a planetary surface during a precipitation process." [] is_a: BFO:0000027 ! object aggregate relationship: participates_in ENVO:01000875 ! precipitation process relationship: RO:0002351 ENVO:01000832 ! has member raindrop created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-03-02T13:50:58Z [Term] id: ENVO:01001565 name: water-based rain def: "Rain which is composed of water droplets falling to a planetary surface during a rainfall process." [] is_a: ENVO:01001564 ! rain relationship: participates_in ENVO:01000830 ! water-based rainfall relationship: RO:0002351 ENVO:01000834 ! has member water raindrop created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-03-02T13:52:48Z [Term] id: ENVO:01001566 name: infrasound def: "Sound which is lower in frequency than 20 Hertz, or cycles per second." [https://en.wikipedia.org/wiki/Infrasound] comment: 20 Hertz is the average limit of human hearing. synonym: "inaudible sound" BROAD [] synonym: "low-frequency sound" BROAD [] is_a: ENVO:01001027 ! acoustic radiation created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-03-02T14:06:26Z [Term] id: ENVO:01001570 name: terrestrial ecoregion def: "An ecoregion which is located on a landmass." [] xref: https://www.worldwildlife.org/biome-categories/terrestrial-ecoregions is_a: ENVO:01000276 ! ecoregion relationship: RO:0002220 ENVO:01000635 ! adjacent to planetary landmass created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-03-05T17:40:44Z [Term] id: ENVO:01001581 name: sea surface layer def: "A surface layer which is part of an ocean or sea." [] comment: At this level, the depth of this layer is ambiguous. Some methods (telemetry) measure only the first few centimeters of the sea or ocean surface. In situ methods often sample the first few meters. Subclasses can be created for such cases.\nSea surface layer is also used to refer to the surfaces of oceans. subset: envoMarine subset: envoPlastics is_a: ENVO:01000295 ! marine layer is_a: ENVO:01001554 ! surface layer of a water body property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0003-1072-8081 created_by: https://orcid.org/0000-0002-4366-3088 creation_date: 2019-03-06T01:22:01Z [Term] id: ENVO:01001609 name: cryospheric layer def: "A layer which is part of a cryosphere." [] subset: envoPolar is_a: ENVO:01000281 ! layer intersection_of: ENVO:01000281 ! layer intersection_of: part_of ENVO:03000143 ! cryosphere relationship: part_of ENVO:03000143 ! cryosphere property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-09T13:05:25Z [Term] id: ENVO:01001614 name: ice-bearing permafrost def: "Permafrost which contains inclusions of water-based ice." [] is_a: ENVO:00000134 ! permafrost intersection_of: ENVO:00000134 ! permafrost intersection_of: has_part ENVO:01000277 ! water ice relationship: has_part ENVO:01000277 ! water ice property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-09T13:45:40Z [Term] id: ENVO:01001617 name: snow accumulation process def: "A material accumulation process during which the mass of snow on a surface increases." [https://orcid.org/0000-0003-4808-4736] comment: This term is used both as a process and as an amount of mass added. Semantically speaking these are two distinct concepts (e.g., accumulation results in accumulation_amount of ice or snow gain), though accumulation_amount would more likely be an attribute.\n\nThe scope of this term varies depending on the definition. Some definitions constrain themselves snow or ice added to glaciers; while others also include ice fields, snow cover, and/or floating ice. How to resolve this depends on the scope desired.\n\nSome definitions include additional discussion of the the physics involved which would be useful for connecting glacier ontologies to atmospheric, hydrologic, etc. ontologies. This information should be captured no matter how the inconsistencies above are resolved. xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:03000009 ! material accumulation process is_a: GO:0008150 ! biological_process relationship: results_in_formation_of ENVO:03000111 ! snow mass property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-24T18:29:18Z [Term] id: ENVO:01001618 name: ice accumulation process def: "A material accumulation process during which ice forms in an environmental material or an existing accumulation of ice increases in mass." [https://orcid.org/0000-0003-4808-4736] xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:02500031 ! hydrological process is_a: ENVO:03000009 ! material accumulation process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-24T18:48:53Z [Term] id: ENVO:01001619 name: snow and ice accumulation process def: "A material accumulation process during which a accumulation of snow and ice forms or increases in mass." [https://orcid.org/0000-0003-4808-4736] xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:02500031 ! hydrological process intersection_of: ENVO:03000009 ! material accumulation process intersection_of: results_in_formation_of ENVO:01001620 ! mass of ice and snow relationship: results_in_formation_of ENVO:01001620 ! mass of ice and snow property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-24T18:59:45Z [Term] id: ENVO:01001620 name: mass of ice and snow def: "A object which is composed primarily of water-based snow and ice." [] xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:01000293 ! ice mass relationship: formed_as_result_of ENVO:01001619 ! snow and ice accumulation process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-04-24T19:08:03Z [Term] id: ENVO:01001639 name: formation of a solid aerosol from liquid material in an atmosphere def: "A process during which microscopic solid particulates are formed from liquid materials in an atmosphere." [https://en.wikipedia.org/wiki/Particulates] subset: envoAtmo synonym: "atmospheric formation of a solid aerosol" BROAD [] synonym: "formation of a solid aerosol in an atmosphere" BROAD [] synonym: "formation of a solid aerosol in the atmosphere" BROAD [] synonym: "formation of solid particles from liquid material in an atmosphere" EXACT [] is_a: ENVO:01001086 ! formation of a solid aerosol in an atmosphere intersection_of: ENVO:01001086 ! formation of a solid aerosol in an atmosphere intersection_of: has_input ENVO:01000815 ! liquid environmental material intersection_of: has_output ENVO:01001089 ! aerosolised solids relationship: has_input ENVO:01000815 ! liquid environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-05-30T21:07:51Z [Term] id: ENVO:01001644 name: material primarily composed of biogenic carbonates xref: Carbonate which is formed as the result of some biological process. xref: http://vocab.nerc.ac.uk/collection/S23/current/S23C021/ is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-06-02T07:35:09Z [Term] id: ENVO:01001645 name: gaseous part of an atmosphere def: "That part of an atmosphere which is composed of gaseous material." [] xref: http://vocab.nerc.ac.uk/collection/S23/current/S23C013/ is_a: ENVO:01001478 ! gaseous astronomical body part intersection_of: ENVO:01001478 ! gaseous astronomical body part intersection_of: part_of ENVO:01000267 ! atmosphere relationship: part_of ENVO:01000267 ! atmosphere property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-06-02T07:52:47Z [Term] id: ENVO:01001646 name: amorphous solid def: "A solid material which does not have a regularly organised internal structure." [] xref: http://vocab.nerc.ac.uk/collection/S23/current/S23C014/ is_a: ENVO:01000814 ! solid environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-06-02T11:07:47Z [Term] id: ENVO:01001652 name: atmospheric aerosol def: "An aerosol that is suspended in an atmosphere." [] xref: http://vocab.nerc.ac.uk/collection/S23/current/S23C005/ is_a: ENVO:00010505 ! aerosol intersection_of: ENVO:00010505 ! aerosol intersection_of: part_of ENVO:01000267 ! atmosphere relationship: part_of ENVO:01000267 ! atmosphere property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 creation_date: 2019-06-03T12:24:09Z [Term] id: ENVO:01001654 name: aerosol formation process def: "A material transformation process during which solid or liquid particles form and are suspended in a mass of air, thus creating an aerosol." [] is_a: ENVO:03000043 ! material transformation process intersection_of: ENVO:03000043 ! material transformation process intersection_of: has_output ENVO:00010505 ! aerosol relationship: has_output ENVO:00010505 ! aerosol relationship: has_part ENVO:01001366 ! aerosolised particle formation process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-06-24T13:43:29Z xsd:dateTime [Term] id: ENVO:01001673 name: fluid surface layer def: "A surface layer which is composed primarily of some liquid or gas." [] is_a: ENVO:00010504 ! surface layer is_a: ENVO:01001677 ! fluid interface layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T08:28:42Z xsd:dateTime [Term] id: ENVO:01001677 name: fluid interface layer def: "A surface layer which separates two portions of fluid with respect to either 1) a discontinuity of some fluid property or 2) some derivative of one of these properties in a direction normal to the interface." [http://glossary.ametsoc.org/wiki/Interface] is_a: ENVO:01001678 ! fluid layer is_a: ENVO:01001684 ! interface layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-07-22T17:29:44Z xsd:dateTime [Term] id: ENVO:01001678 name: fluid layer def: "A layer which is composed primarily of some fluid." [] is_a: ENVO:01000281 ! layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-07-22T17:35:08Z xsd:dateTime [Term] id: ENVO:01001679 name: fluid front def: "A fluid interface which separates two fluid masses with differing properties." [http://glossary.ametsoc.org/wiki/Front, http://ww2010.atmos.uiuc.edu/(Gh)/guides/mtr/af/frnts/home.rxml, https://en.wikipedia.org/wiki/Front_(oceanography), https://en.wikipedia.org/wiki/Weather_front] is_a: ENVO:01001677 ! fluid interface layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-07-22T17:43:32Z xsd:dateTime [Term] id: ENVO:01001680 name: gaseous front def: "A fluid front which is composed primarily of gaseous material and separates at least two gaseous masses." [] is_a: ENVO:01001679 ! fluid front intersection_of: ENVO:01001679 ! fluid front intersection_of: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material relationship: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-07-22T17:50:08Z xsd:dateTime [Term] id: ENVO:01001681 name: weather front def: "A gaseous front which separates two masses of air with different densities and is a principal cause of meteorological phenomena." [http://glossary.ametsoc.org/wiki/Front, https://en.wikipedia.org/wiki/Weather_front] comment: This class refers to Earth's weather fronts. Other forms, not composed of air, are present on other planets and can be created on request. Note: "Since the temperature distribution is the most important regulator of atmospheric density, a front almost invariably separates air masses of different temperature. Along with the basic density criterion and the common temperature criterion, many other features may distinguish a front, such as a pressure trough, a change in wind direction, a moisture discontinuity, and certain characteristic cloud and precipitation forms." {xref="http://glossary.ametsoc.org/wiki/Front"} subset: envoAtmo synonym: "meteorological front" EXACT [] is_a: ENVO:01000543 ! atmospheric layer is_a: ENVO:01001275 ! solid layer is_a: ENVO:01001680 ! gaseous front intersection_of: ENVO:01001680 ! gaseous front intersection_of: part_of ENVO:01000267 ! atmosphere intersection_of: RO:0002473 ENVO:00002005 ! composed primarily of air relationship: causal_agent_in_process ENVO:02500003 ! atmospheric process relationship: RO:0002220 ENVO:01001682 {minCardinality="2"} ! adjacent to air mass relationship: RO:0002473 ENVO:00002005 ! composed primarily of air property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-07-22T17:57:21Z xsd:dateTime [Term] id: ENVO:01001682 name: air mass def: "An object which is composed of a continuous mass of air." [] subset: envoAtmo is_a: ENVO:01001687 ! mass of solid material is_a: ENVO:01001689 ! mass of gas intersection_of: ENVO:01001689 ! mass of gas intersection_of: RO:0002473 ENVO:00002005 ! composed primarily of air relationship: RO:0002473 ENVO:00002005 ! composed primarily of air property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T07:54:32Z xsd:dateTime [Term] id: ENVO:01001683 name: gaseous surface layer def: "A fluid surface layer which is composed primarily of some gaseous material." [] is_a: ENVO:01001673 ! fluid surface layer intersection_of: ENVO:01001673 ! fluid surface layer intersection_of: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material relationship: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T08:30:01Z xsd:dateTime [Term] id: ENVO:01001684 name: interface layer def: "A layer which separates two portions of environmental material which possess 1) differing compositions, 2) a discontinuity of some property, or 3) some derivative of some property in a direction normal to the interface." [] is_a: ENVO:01000281 ! layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:28:10Z xsd:dateTime [Term] id: ENVO:01001686 name: mass of environmental material def: "An object which is composed primarily of an environmental material" [] comment: This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. is_a: BFO:0000030 ! object intersection_of: BFO:0000030 ! object intersection_of: RO:0002473 ENVO:00010483 ! composed primarily of environmental material relationship: RO:0002473 ENVO:00010483 ! composed primarily of environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:38:29Z xsd:dateTime [Term] id: ENVO:01001687 name: mass of solid material def: "An mass of environmental material which is composed primarily of a solid environmental material" [] comment: This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. is_a: ENVO:01001686 ! mass of environmental material intersection_of: ENVO:01001686 ! mass of environmental material intersection_of: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material relationship: RO:0002473 ENVO:01000814 ! composed primarily of solid environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:41:27Z xsd:dateTime [Term] id: ENVO:01001688 name: mass of fluid def: "An object which is composed primarily of a fluid." [] comment: This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. synonym: "fluid mass" EXACT [] is_a: ENVO:01001686 ! mass of environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:42:35Z xsd:dateTime [Term] id: ENVO:01001689 name: mass of gas def: "An object which is composed primarily of a gas." [] comment: This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. synonym: "gaseous mass" EXACT [] is_a: ENVO:01001688 ! mass of fluid intersection_of: ENVO:01001688 ! mass of fluid intersection_of: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material relationship: RO:0002473 ENVO:01000797 ! composed primarily of gaseous environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:44:01Z xsd:dateTime [Term] id: ENVO:01001690 name: mass of liquid def: "An object which is composed primarily of a liquid." [] comment: This class and its subclasses refer to objects that are discrete accumulations of environmental materials, generally primarily composed of one or a few main material types. synonym: "liquid mass" EXACT [] is_a: ENVO:01001688 ! mass of fluid intersection_of: ENVO:01001688 ! mass of fluid intersection_of: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material relationship: RO:0002473 ENVO:01000815 ! composed primarily of liquid environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:45:03Z xsd:dateTime [Term] id: ENVO:01001691 name: mass of compounded environmental materials def: "An mass of environmental materials which has appreciable quantities of several individual materials, such that the removal of one would convert the mass into a different entity." [] is_a: ENVO:01001686 ! mass of environmental material intersection_of: ENVO:01001686 ! mass of environmental material intersection_of: RO:0002473 ENVO:00010483 {minCardinality="2"} ! composed primarily of environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T09:47:10Z xsd:dateTime [Term] id: ENVO:01001698 name: polar front def: "A weather front which separates air masses of tropical and polar origin." [http://glossary.ametsoc.org/wiki/Polar_front] subset: envoAtmo subset: envoPolar is_a: ENVO:01001681 ! weather front property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-08-20T13:46:42Z xsd:dateTime [Term] id: ENVO:01001747 name: mass fluid flow def: "An advective transport process during which a fluid moves." [] is_a: ENVO:01001334 ! advective transport process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-09-05T05:47:26Z xsd:dateTime [Term] id: ENVO:01001748 name: cyclonic circulation def: "A mass fluid flow which moves in the same direction as a planet's rotation, rotating due to a Coriolis effect." [http://glossary.ametsoc.org/wiki/Cyclonic_circulation, https://en.wikipedia.org/wiki/Cyclonic_rotation] subset: envoAtmo subset: envoMarine subset: envoPolar synonym: "cyclonic rotation" EXACT [] is_a: ENVO:01001747 ! mass fluid flow property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-09-05T05:47:55Z xsd:dateTime [Term] id: ENVO:01001759 name: vibration process def: "A material transport process during which parts of an elastic material oscillate around their positions of equilibrium." [] {comment="https://www.merriam-webster.com/dictionary/vibration"} synonym: "vibration" EXACT [] is_a: ENVO:03000010 ! material transport process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-07T08:36:54Z xsd:dateTime [Term] id: ENVO:01001767 name: structural collapse process def: "A process during which the ability of a material entity to maintain its internal organisation fails, resulting in deformation and a breakdown of that organisation." [https://en.wikipedia.org/wiki/Structural_failure] comment: This is a very general concept, and should likely be elevated to OBO Core rather than held in ENVO. is_a: ENVO:01001852 ! energy transfer process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-07T10:08:24Z xsd:dateTime [Term] id: ENVO:01001776 name: subsurface zone of an astronomical body def: "An environmental zone which includes those regions of an astronomical body which are not exposed to its atmosphere or space." [] is_a: ENVO:01000408 ! environmental zone relationship: part_of ENVO:01000799 ! astronomical body property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-07T14:22:38Z xsd:dateTime [Term] id: ENVO:01001780 name: desert ecosystem def: "An ecosystem in which the composition, structure, and function of resident ecological assemblages are primarily determined by a desert." [] is_a: ENVO:01001110 ! ecosystem intersection_of: ENVO:01001110 ! ecosystem intersection_of: RO:0002507 ENVO:01001357 ! determined by desert relationship: RO:0002507 ENVO:01001357 ! determined by desert property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-17T08:21:08Z xsd:dateTime [Term] id: ENVO:01001781 name: part of a landmass def: "A solid astronomical body part which is part of the landmass of that body." [] is_a: ENVO:00000191 ! solid astronomical body part intersection_of: ENVO:00000191 ! solid astronomical body part intersection_of: part_of ENVO:01000635 ! planetary landmass relationship: part_of ENVO:01000635 ! planetary landmass property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-17T08:27:17Z xsd:dateTime [Term] id: ENVO:01001782 name: landmass def: "A large continuous area of land, either surrounded by sea or contiguous with another landmass." [] {http://purl.obolibrary.org/obo/IAO_0000119="https://en.wiktionary.org/wiki/landmass"} is_a: ENVO:01001785 ! land property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-17T08:31:26Z xsd:dateTime [Term] id: ENVO:01001784 name: compound astronomical body part def: "A part of an astronomical body which is composed of a continuous medium bearing liquid, gaseous, and solid material in variable quantities." [https://en.wikipedia.org/wiki/Landform] is_a: ENVO:01000813 ! astronomical body part property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-17T08:36:00Z xsd:dateTime [Term] id: ENVO:01001785 name: land def: "A surface layer of an astronomical body which is primarily composed of solid material and is not covered by oceans or other bodies of water." [https://en.wiktionary.org/wiki/land] is_a: ENVO:01001311 ! solid surface layer is_a: ENVO:01001483 ! surface of an astronomical body property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T10:42:26Z xsd:dateTime [Term] id: ENVO:01001787 name: aquatic ecosystem is_a: ENVO:01001110 ! ecosystem intersection_of: ENVO:01001110 ! ecosystem intersection_of: RO:0002507 ENVO:00000063 ! determined by water body relationship: RO:0002507 ENVO:00000063 ! determined by water body property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T11:05:45Z xsd:dateTime [Term] id: ENVO:01001788 name: marine ecosystem is_a: ENVO:01000320 ! marine environment is_a: ENVO:01001787 ! aquatic ecosystem intersection_of: ENVO:01001787 ! aquatic ecosystem intersection_of: RO:0002507 ENVO:00001999 ! determined by marine water body property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T11:06:11Z xsd:dateTime [Term] id: ENVO:01001789 name: freshwater ecosystem is_a: ENVO:01001787 ! aquatic ecosystem intersection_of: ENVO:01001787 ! aquatic ecosystem intersection_of: RO:0002507 ENVO:01001320 ! determined by fresh water body relationship: RO:0002507 ENVO:01001320 ! determined by fresh water body property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T11:06:34Z xsd:dateTime [Term] id: ENVO:01001790 name: terrestrial ecosystem is_a: ENVO:01001110 ! ecosystem property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T11:09:58Z xsd:dateTime [Term] id: ENVO:01001795 name: ecosystem process def: "An environmental process either driven by or primarily impacting the parts or emergent properties of an ecosystem." [] is_a: ENVO:02500000 ! environmental system process intersection_of: ENVO:02500000 ! environmental system process intersection_of: process_has_causal_agent ENVO:01001110 ! ecosystem relationship: process_has_causal_agent ENVO:01001110 ! ecosystem property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-21T11:52:55Z xsd:dateTime [Term] id: ENVO:01001813 name: construction def: "A material entity which has been assembled through the intentional, instinctual, or deliberately programmed efforts of an organism or machine." [] is_a: BFO:0000040 ! material entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-29T14:50:34Z xsd:dateTime property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:01001814 name: organic object def: "An object which is formed as a result of one or more biological processes and is composed primarily of organic material." [] is_a: ENVO:01001686 ! mass of environmental material intersection_of: BFO:0000030 ! object intersection_of: formed_as_result_of GO:0008150 ! biological_process intersection_of: RO:0002473 ENVO:01000155 ! composed primarily of organic material relationship: formed_as_result_of GO:0008150 ! biological_process relationship: RO:0002473 ENVO:01000155 ! composed primarily of organic material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-10-29T15:02:58Z xsd:dateTime [Term] id: ENVO:01001835 name: alpine biome def: "A biome which is subject to alpine altitudinal conditions." [] is_a: ENVO:00000428 ! biome intersection_of: ENVO:00000428 ! biome intersection_of: has_quality ENVO:01000340 ! alpine relationship: has_quality ENVO:01000340 ! alpine property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-11-06T15:59:35Z xsd:dateTime [Term] id: ENVO:01001836 name: montane biome def: "A biome which is subject to montane altitudinal conditions." [] is_a: ENVO:00000428 ! biome intersection_of: ENVO:00000428 ! biome intersection_of: has_quality ENVO:01000342 ! montane relationship: has_quality ENVO:01000342 ! montane property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-11-06T16:00:33Z xsd:dateTime [Term] id: ENVO:01001838 name: arid biome def: "A biome which is subject to arid environmental conditions." [] is_a: ENVO:00000428 ! biome intersection_of: ENVO:00000428 ! biome intersection_of: has_quality ENVO:01000230 ! arid relationship: has_quality ENVO:01000230 ! arid property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2019-11-06T16:06:47Z xsd:dateTime [Term] id: ENVO:01001852 name: energy transfer process def: "A process during which one entity loses energy to another entity." [] is_a: ENVO:02500000 ! environmental system process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2020-02-13T13:34:28Z xsd:dateTime [Term] id: ENVO:01001856 name: liquid accumulation process def: "A material accumulation process during which the volume of liquid entity increases." [] is_a: ENVO:03000009 ! material accumulation process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2020-05-18T14:39:20Z xsd:dateTime [Term] id: ENVO:01001865 name: concentration of carbon dioxide in an atmosphere def: "The concentration of carbon dioxide when measured in air that is part of an atmosphere." [] subset: envoAtmo subset: envoNceas is_a: PATO:0000033 ! concentration of property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2020-05-19T22:51:38Z xsd:dateTime [Term] id: ENVO:01001884 name: surface landform def: "A landform which occurs on the surface of an astronomical body." [] comment: The usage of "surface" here aligns with that of planetary surface: in contact with the atmosphere or space. The extent of the "surface" can vary. For rocky planets like Earth, astrogeologists consider the crust as the surface. synonym: "geographic feature" RELATED [] is_a: ENVO:01001886 ! landform property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2021-05-15T09:16:23Z xsd:dateTime [Term] id: ENVO:01001886 name: landform def: "A solid astronomical body part which has been formed from and is composed primarily of the matter of that astronomical body." [https://en.wikipedia.org/wiki/Landform] comment: Landforms may be natural or anthropogenic. This term has often has loose usage when referencing entities which are either subterranean or submerged below water bodies. In some cases, oceans themselves are considered landforms. Here, we have provided subclasses to resolve this ambiguity, but place oceans and other water bodies elsewhere.In later revisions, this hiearchy is likely to be reordered based on the formation processes of the entities within it. is_a: ENVO:00000191 ! solid astronomical body part property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/date 2021-05-15T09:40:37Z xsd:dateTime [Term] id: ENVO:01003001 name: water-holding capacity def: "A disposition of a material entity which is realised when it is saturated with liquid water." [] is_a: BFO:0000016 ! disposition relationship: characteristic_of BFO:0000040 ! material entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01003002 name: particle def: "A mass of solid material which is either 1) a minute fragment of a larger mass or 2) one of a collection of small masses composing an aggregate." [https://en.wiktionary.org/wiki/particle] synonym: "grain" RELATED [] is_a: ENVO:01001687 ! mass of solid material relationship: part_of ENVO:01000060 ! particulate environmental material [Term] id: ENVO:01003003 name: particle of clay def: "A particle which 1) is composed primarily of hydrous aluminium phyllosilicate minerals, in turn composed of aluminium and silicon ions bonded into tiny, thin plates by interconnecting oxygen and hydroxide ions, and 2) is or was part of a portion of clay." [https://en.wikipedia.org/wiki/Clay#Properties] comment: The distinction between silt and clay varies by discipline. Geologists and soil scientists usually consider the separation to occur at a particle size of 2 μm (clays being finer than silts), sedimentologists often use 4–5 μm, and colloid chemists use 1 μm. Geotechnical engineers distinguish between silts and clays based on the plasticity properties of the soil, as measured by the soils' Atterberg limits. ISO 14688 grades clay particles as being smaller than 2 μm and silt particles as being larger. Mixtures of sand, silt and less than 40% clay are called loam. {xref="Properties"} synonym: "clay particle" EXACT [] is_a: ENVO:01003002 ! particle [Term] id: ENVO:01003010 name: convective transport process def: "A material transport process which arises spontaneously due to physical heterogeneities in a portion of a material and forces which act throughout its volume." [https://en.wikipedia.org/wiki/Convection] comment: Most commonly, convective flows are generated by heterogeneities in density or the effects of gravity. When the cause of the convection is unspecified, convection due to the effects of thermal expansion and buoyancy can be assumed. Convection frequently occurs in fluids, but may also take place in soft solids or mixtures where particles can flow. {xref="https://en.wikipedia.org/wiki/Convection"} is_a: ENVO:03000010 ! material transport process intersection_of: ENVO:03000010 ! material transport process intersection_of: has_characteristic ENVO:01003011 ! convective relationship: has_characteristic ENVO:01003011 ! convective [Term] id: ENVO:01003011 name: convective def: "A physical quality of a process which is characteristic of processes that transport material within a volume due to the combined effects of material property heterogeneity and body forces across that volume." [https://en.wikipedia.org/wiki/Convection] is_a: PATO:0002062 ! physical quality of a process property_value: http://purl.org/dc/terms/creator https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01003012 name: advective def: "A physical quality of a process which is characteristic of process that transport material without, themselves, changing the qualities of those materials or the processes that are unfolding within them." [https://en.wikipedia.org/wiki/Advection] is_a: PATO:0002062 ! physical quality of a process property_value: http://purl.org/dc/terms/creator https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:01003013 name: material diffusion process def: "A material transport process during which material moves from a region of higher concentration to a region of lower concentration." [https://en.wikipedia.org/wiki/Diffusion] comment: Diffusion is also applied to the movement of energy, thus the more specific label. This class will be repositioned (but with the core of its definition intact) if we include other forms of diffusion in ENVO. synonym: "diffusion" BROAD [] is_a: ENVO:03000010 ! material transport process [Term] id: ENVO:02000019 name: bodily fluid material def: "An organic material which is primarily composed of some natural bodily fluid or secretion such as blood, semen, saliva, blood plasma, intracellular and interstitial fluids." [https://en.wikipedia.org/wiki/Body_fluid, URL:http\://medical-dictionary.thefreedictionary.com/bodily+fluid] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. xref: https://en.wikipedia.org/wiki/Bodily_fluid is_a: ENVO:01000155 ! organic material relationship: RO:0002473 UBERON:0002297 ! composed primarily of cerumen [Term] id: ENVO:02000020 name: blood material def: "A bodily fluid material which is composed primarily of blood, a bodily fluid composed of blood plasma and blood cells suspended within the plasma that circulates around the organism's body. Blood performs may important functions including the supplying of oxygen and nutrients, removal of waste, circulation of white blood cells, detection of antibodes, coagulation, transportation of antibodies and the regulation of pH and body temperature." [https://en.wikipedia.org/wiki/Blood, https://en.wikipedia.org/wiki/Body_fluid] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. is_a: CARO:0000000 ! anatomical entity is_a: ENVO:02000019 ! bodily fluid material relationship: RO:0002473 UBERON:0000178 ! composed primarily of blood [Term] id: ENVO:02000021 name: amniotic fluid material def: "A bodily fluid material which is composed primarily of amniotic fluid, a bodily fluid consisting of watery liquid surrounding and cushioning a growing fetus within the amnion. It allows the fetus to move freely without the walls of the uterus being too tight against its body. Buoyancy is also provided." [URL:http\://en.wikipedia.org/wiki/Amniotic_fluid] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. is_a: ENVO:02000019 ! bodily fluid material relationship: RO:0002473 UBERON:0000173 ! composed primarily of amniotic fluid [Term] id: ENVO:02000022 name: excreta material def: "A bodily fluid material which is composed primarily of excreta, bodily fluids consisting of matter which contains the waste products of biological processes, including urine or feces, discharged from an organism's body." [URL:http\://medical-dictionary.thefreedictionary.com/excreta] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. is_a: ENVO:00002264 ! waste material is_a: ENVO:02000019 ! bodily fluid material relationship: RO:0002473 UBERON:0000174 ! composed primarily of excreta [Term] id: ENVO:02000023 name: bile material def: "A bodily fluid material which is composed primarily of bile, a bodily fluid consisting of a bitter, yellow or green alkaline fluid secreted by hepatocytes from the liver of most vertebrates. In many species, bile is stored in the gallbladder between meals and upon eating is discharged into the duodenum where the bile aids the process of digestion of lipids." [https://en.wikipedia.org/wiki/Bile] comment: ENVO bodily fluid classes differ from UBERON's treatment of bodily fluids. UBERON refers to the substance itself ("S"). We assert that UBERON's classes are the primary compositional component of the terms in ENVO ("S material"). Use of the ENVO terms is typically recommended when you wish to indicate that there may be other materials intermixed with S. synonym: "gall" RELATED [] is_a: ENVO:02000019 ! bodily fluid material relationship: RO:0002473 UBERON:0001970 ! composed primarily of bile [Term] id: ENVO:02000090 name: ash def: "An environmental material that is the non-aqueous, non-gaseous residues that remain after something is burned." [https://en.wikipedia.org/wiki/Ash] is_a: ENVO:01000814 ! solid environmental material relationship: output_of ENVO:01000839 ! combustion process [Term] id: ENVO:02000091 name: coal def: "A combustible black or brownish-black sedimentary rock usually occurring in rock strata in layers or veins called coal beds or coal seams." [https://en.wikipedia.org/wiki/Coal] is_a: ENVO:00002016 ! sedimentary rock relationship: has_quality PATO:0015022 ! increased combustibility relationship: has_role CHEBI:35230 ! fossil fuel property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000092 name: iron mine is_a: ENVO:00000076 ! mine property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000093 name: uranium mine xref: Uranium:mining is_a: ENVO:00000076 ! mine property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000094 name: ore def: "a type of rock that contains sufficient minerals with important elements including metals that can be economically extracted from the rock." [] xref: https://en.wikipedia.org/wiki/Ore is_a: ENVO:00001995 ! rock property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000095 name: uranium ore def: "Ore which contains uranium." [] comment: The primary uranium ore mineral is uraninite is_a: ENVO:02000094 ! ore intersection_of: ENVO:02000094 ! ore intersection_of: has_part CHEBI:33499 ! uranium molecular entity relationship: has_part CHEBI:33499 ! uranium molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000096 name: iron ore is_a: ENVO:02000094 ! ore intersection_of: ENVO:02000094 ! ore intersection_of: has_part CHEBI:24873 ! iron molecular entity relationship: has_part CHEBI:24873 ! iron molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000097 name: gold ore is_a: ENVO:02000094 ! ore intersection_of: ENVO:02000094 ! ore intersection_of: has_part CHEBI:33969 ! gold molecular entity relationship: has_part CHEBI:33969 ! gold molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000098 name: platinum ore is_a: ENVO:02000094 ! ore intersection_of: ENVO:02000094 ! ore intersection_of: has_part CHEBI:33749 ! platinum molecular entity relationship: has_part CHEBI:33749 ! platinum molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000099 name: coal dust def: "Dust which is derived from coal." [] is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:02000091 ! derives from coal relationship: RO:0001000 ENVO:02000091 ! derives from coal property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000100 name: mineral dust def: "Dust which is derived from mineral material." [] is_a: ENVO:00002008 ! dust is_a: ENVO:01000256 ! mineral material intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:01000256 ! derives from mineral material relationship: RO:0001000 ENVO:01000256 ! derives from mineral material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000101 name: fibrous dust def: "Dust which is composed of fibrous material." [] is_a: ENVO:00002008 ! dust property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000102 name: fibrous glass dust is_a: ENVO:02000101 ! fibrous dust property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000103 name: metallic dust def: "Dust which is composed primarily of some metallic material." [] is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:01001069 ! derives from metallic material relationship: RO:0001000 ENVO:01001069 ! derives from metallic material relationship: RO:0002473 ENVO:01001069 ! composed primarily of metallic material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000104 name: cement dust is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:01000462 ! derives from masonry cement relationship: RO:0001000 ENVO:01000462 ! derives from masonry cement property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000105 name: clay dust def: "Dust which is derived from clay material." [] is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 ENVO:00002982 ! derives from clay relationship: RO:0001000 ENVO:00002982 ! derives from clay property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000106 name: asbestos dust comment: Dust which is derived from asbestos is_a: ENVO:02000101 ! fibrous dust intersection_of: ENVO:02000101 ! fibrous dust intersection_of: RO:0001000 CHEBI:46661 ! derives from asbestos relationship: RO:0001000 CHEBI:46661 ! derives from asbestos property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000107 name: grain dust def: "Dust that comes from grain and all the other substances associated with its cultivation & harvesting." [http://www.cdc.gov/niosh/npg/npgd0305.html] is_a: ENVO:02000109 ! dust from plant parts property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000108 name: cotton dust is_a: ENVO:02000109 ! dust from plant parts property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000109 name: dust from plant parts is_a: ENVO:00002008 ! dust intersection_of: ENVO:00002008 ! dust intersection_of: RO:0001000 PO:0025131 ! derives from plant anatomical entity relationship: RO:0001000 PO:0025131 ! derives from plant anatomical entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000111 name: copper ore is_a: ENVO:02000094 ! ore intersection_of: ENVO:02000094 ! ore intersection_of: has_part CHEBI:23377 ! copper molecular entity relationship: has_part CHEBI:23377 ! copper molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000112 name: fume def: "A gas, smoke, or vapor that smells strongly or is dangerous to inhale." [] is_a: ENVO:01000797 ! gaseous environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000113 name: welding fume is_a: ENVO:02000112 ! fume property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000115 name: vanadium fume def: "Respirable vapor of vanadium." [https://www.wikidata.org/wiki/Q20963940] is_a: ENVO:02000112 ! fume intersection_of: ENVO:02000112 ! fume intersection_of: has_part CHEBI:27275 ! vanadium molecular entity relationship: has_part CHEBI:27275 ! vanadium molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000120 name: zinc chloride fume is_a: ENVO:02000112 ! fume intersection_of: ENVO:02000112 ! fume intersection_of: has_part CHEBI:49976 ! zinc dichloride relationship: has_part CHEBI:49976 ! zinc dichloride property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000123 name: paint def: "Any liquid, liquefiable, or mastic composition that, after application to a substrate in a thin layer, converts to a solid film. It is most commonly used to protect, color, or provide texture to objects." [https://en.wikipedia.org/wiki/Paint] is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:01000815 ! liquid environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000124 name: lead paint def: "Paint that contains lead." [https://en.wikipedia.org/wiki/Lead_paint] is_a: ENVO:02000123 ! paint intersection_of: ENVO:02000123 ! paint intersection_of: has_part CHEBI:33585 ! lead molecular entity relationship: has_part CHEBI:33585 ! lead molecular entity property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000126 name: wood ash def: "the residue powder that is derived from the combustion of wood." [https://en.wikipedia.org/wiki/Wood_ash] is_a: ENVO:02000090 ! ash intersection_of: ENVO:02000090 ! ash intersection_of: RO:0001000 ENVO:00002040 ! derives from wood relationship: RO:0001000 ENVO:00002040 ! derives from wood [Term] id: ENVO:02000127 name: coal ash def: "Ash that is produced from the burning of coal." [https://www.epa.gov/coalash/coal-ash-basics] synonym: "coal combustion residuals" EXACT [https://www.epa.gov/coalash/coal-ash-basics] is_a: ENVO:02000090 ! ash intersection_of: ENVO:02000090 ! ash intersection_of: RO:0001000 ENVO:02000091 ! derives from coal relationship: RO:0001000 ENVO:02000091 ! derives from coal [Term] id: ENVO:02000133 name: nuclear reactor def: "A human construction which is used to initiate and control a fission nuclear chain reaction or nuclear fusion reactions." [https://en.wikipedia.org/wiki/Nuclear_reactor] is_a: ENVO:00000070 ! human construction property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000137 name: nuclear power reactor def: "A nuclear reactor which is used as a source of power." [https://en.wikipedia.org/wiki/Nuclear_reactor] synonym: "power reactor" EXACT [] is_a: ENVO:02000133 ! nuclear reactor property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 [Term] id: ENVO:02000140 name: fluid environmental material def: "A liquid or a gas." [https://github.com/EnvironmentOntology/envo/issues/940] synonym: "fluid" NARROW [] is_a: ENVO:00010483 ! environmental material union_of: ENVO:01000797 ! gaseous environmental material union_of: ENVO:01000798 ! plasma union_of: ENVO:01000815 ! liquid environmental material property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: ENVO:02500000 name: environmental system process def: "A process in which includes the components of an environmental system as participants." [] comment: This is a convenience class for organisation and should not be used for annotation. is_a: BFO:0000015 ! process property_value: IAO:0000412 http://purl.obolibrary.org/obo/ecocore.owl [Term] id: ENVO:02500001 name: desertification def: "A type of land degradation in which terrestrial ecosystem becomes increasingly dry, typically losing its bodies of water as well as vegetation and wildlife." [https://en.wikipedia.org/wiki/Desertification] is_a: ENVO:02500005 ! land degradation intersection_of: ENVO:02500005 ! land degradation intersection_of: has_output ENVO:00000097 ! desert area relationship: has_output ENVO:00000097 ! desert area [Term] id: ENVO:02500002 name: flooding def: "A general and temporary condition of partial or complete inundation of normally dry land areas from the overflow of inland and/or tidal waters, and/or the unusual and rapid accumulation or runoff of surface waters from any source. A great flow along a watercourse or a flow causing inundation of lands not normally covered by water." [GEMET: http\://www.eionet.europa.eu/gemet/concept/3301] subset: environmental_hazards is_a: ENVO:01000982 ! water flow process [Term] id: ENVO:02500003 name: atmospheric process def: "A process which occurs within an atmosphere." [] comment: This class will be populated by inference and is primarily organisational. is_a: ENVO:02500000 ! environmental system process intersection_of: ENVO:02500000 ! environmental system process intersection_of: BFO:0000066 ENVO:01000267 ! occurs in atmosphere relationship: BFO:0000066 ENVO:01000267 ! occurs in atmosphere [Term] id: ENVO:02500004 name: greenhouse effect def: "A process by which thermal radiation from a planetary surface is absorbed by atmospheric greenhouse gases, and is re-radiated in all directions. Since part of this re-radiation is back towards the surface and the lower atmosphere, it results in an elevation of the average surface temperature above what it would be in the absence of the gases." [https://en.wikipedia.org/wiki/Greenhouse_effect] subset: envoPolar is_a: ENVO:02500003 ! atmospheric process [Term] id: ENVO:02500005 name: land degradation def: "A process which diminishes the functioning of an ecosystem located on land." [http://www.who.int/globalchange/ecosystems/desert/en/, https://en.wikipedia.org/wiki/Land_degradation] comment: This could include, for example, reducing soil health, pollinator activity, or an ecosystem's ability to sequester carbon. is_a: ENVO:01001795 ! ecosystem process relationship: part_of ENVO:01000743 ! land consumption process property_value: IAO:0000116 "An SDGIO request. Likely to be refined and revised." xsd:string [Term] id: ENVO:02500012 name: deforestation def: "An ecosystem process during which the flora and fauna belonging to a forest are removed or destroyed." [http://www.eionet.europa.eu/gemet/en/concept/2036] synonym: "clearance" BROAD [] synonym: "clearing" BROAD [] is_a: ENVO:01001795 ! ecosystem process [Term] id: ENVO:02500014 name: forest process comment: To be populated through inference. Do not use for annotation. is_a: ENVO:01001795 ! ecosystem process [Term] id: ENVO:02500018 name: algal bloom process def: "A process during which the populations in a community of algae in a marine or freshwater ecosystem undergo rapid growth, resulting in high concentrations of algal cells that occur only periodically and briefly in that ecosystem, relative to their concentrations through the majority of the planetary orbital period." [https://en.wikipedia.org/wiki/Algal_bloom] comment: This class is under development. Note that cyanobacterial blooms are often confused with algal blooms. There is no globally recognised threshold beyond which community density enters a bloom state. {xref="https://en.wikipedia.org/wiki/Algal_bloom"} subset: envoPolar is_a: ENVO:01001795 ! ecosystem process relationship: BFO:0000066 ENVO:01000317 ! occurs in aquatic environment relationship: ENVO:02500020 ENVO:02500019 ! results in proliferation of alga [Term] id: ENVO:02500019 name: alga comment: To be ceded to external ontology (e.g. pco) is_a: NCBITaxon:131567 ! cellular organisms [Term] id: ENVO:02500022 name: algal bloom process phase is_a: ENVO:01001795 ! ecosystem process relationship: part_of ENVO:02500018 ! algal bloom process [Term] id: ENVO:02500024 name: accumulation of toxins from algal bloom process comment: TODO; add axioms pointing to GO organismal process; Add axioms pointing to toxin role is_a: ENVO:02500022 ! algal bloom process phase [Term] id: ENVO:02500025 name: degradation of toxins from algal bloom process is_a: ENVO:02500022 ! algal bloom process phase [Term] id: ENVO:02500026 name: anthropogenic modulatory intervention process def: "A process during which humans apply technology to alter the magnitude, duration, rate, or impact of an environmental process." [] comment: Relabel the obo foundry unique label to be generic process is_a: OBI:0000011 ! planned process intersection_of: OBI:0000011 ! planned process intersection_of: process_has_causal_agent NCBITaxon:9606 ! Homo sapiens intersection_of: regulates ENVO:02500000 ! environmental system process relationship: process_has_causal_agent NCBITaxon:9606 ! Homo sapiens relationship: regulates ENVO:02500000 ! environmental system process [Term] id: ENVO:02500027 name: anthropogenic environmental process def: "An environmental process which is driven by the action of humans." [] is_a: ENVO:02500000 ! environmental system process intersection_of: ENVO:02500000 ! environmental system process intersection_of: process_has_causal_agent NCBITaxon:9606 ! Homo sapiens relationship: process_has_causal_agent NCBITaxon:9606 ! Homo sapiens [Term] id: ENVO:02500028 name: planetary erosion def: "An action of exogenic processes (such as water flow or wind) which remove environmental material from one part of a planet's crust, transporting it to another location where it is deposited." [https://en.wikipedia.org/wiki/Erosion] subset: envoPolar is_a: ENVO:01001346 ! erosion [Term] id: ENVO:02500031 name: hydrological process def: "An environmental process which has water - in any of its states - as a participant." [] comment: This classes asserted subclasses will be moved away as it should be an inferred class. is_a: ENVO:02500000 ! environmental system process [Term] id: ENVO:02500036 name: environmental pollution def: "An environmental system process that results in the introduction of contaminants into an environment." [https://en.wikipedia.org/wiki/Pollution] comment: Pollutants may be material or immaterial (e.g. heat energy) subset: environmental_hazards synonym: "pollution" EXACT [] is_a: ENVO:02500000 ! environmental system process [Term] id: ENVO:02500037 name: air pollution def: "A pollution process during which particulates or other contaminants are released into a portion of air." [] subset: environmental_hazards subset: envoPolar is_a: ENVO:02500036 ! environmental pollution intersection_of: ENVO:02500036 ! environmental pollution intersection_of: BFO:0000066 ENVO:00002005 ! occurs in air relationship: BFO:0000066 ENVO:00002005 ! occurs in air [Term] id: ENVO:02500038 name: soil pollution def: "A pollution process during which contaminants are released into soil." [https://en.wikipedia.org/wiki/Soil_pollution] subset: environmental_hazards subset: envoPolar is_a: ENVO:02500036 ! environmental pollution intersection_of: ENVO:02500036 ! environmental pollution intersection_of: BFO:0000066 ENVO:00001998 ! occurs in soil relationship: BFO:0000066 ENVO:00001998 ! occurs in soil relationship: has_output ENVO:00002116 ! contaminated soil [Term] id: ENVO:02500039 name: water pollution def: "A pollution process during which contaminants are released into water." [] subset: environmental_hazards subset: envoPolar is_a: ENVO:02500036 ! environmental pollution [Term] id: ENVO:02500040 name: plastic pollution def: "A pollution process during which plastic contaminants are released into an environmental material." [https://en.wikipedia.org/wiki/Plastic_pollution] subset: environmental_hazards subset: envoPlastics subset: envoPolar is_a: ENVO:02500036 ! environmental pollution [Term] id: ENVO:02500042 name: pollution control def: "A planned process during which the amount of pollutants released into an environmental system is regulated." [] synonym: "pollution prevention" NARROW [] is_a: ENVO:02500026 ! anthropogenic modulatory intervention process intersection_of: ENVO:02500026 ! anthropogenic modulatory intervention process intersection_of: regulates ENVO:02500036 ! environmental pollution relationship: regulates ENVO:02500036 ! environmental pollution [Term] id: ENVO:02500044 name: urban pollution def: "A pollution process that results in increased levels of pollutants in an urban environment." [] subset: environmental_hazards is_a: ENVO:02500036 ! environmental pollution intersection_of: ENVO:02500036 ! environmental pollution intersection_of: BFO:0000066 ENVO:01000249 ! occurs in urban biome relationship: BFO:0000066 ENVO:01000249 ! occurs in urban biome relationship: has_input ENVO:01000249 ! urban biome [Term] id: ENVO:03000008 name: compaction process def: "A physical process during which atoms, molecules, or other consituents of a material entity are forced closer together." [https://en.wikipedia.org/wiki/Compaction] subset: envoPolar is_a: ENVO:02500000 ! environmental system process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000009 name: material accumulation process def: "A process during which the mass of one or more materials, present within a given site, increases." [] comment: Experimental class for structural purposes not recommended for annotation. A material accumulation process ends a material transport process. subset: envoPolar is_a: ENVO:02500000 ! environmental system process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000010 name: material transport process def: "A process during which material is displaced from its original location and transported either to a new location or back to the original location." [] comment: Experimental class for structural purposes not recommended for annotation. subset: envoPolar is_a: ENVO:02500000 ! environmental system process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000015 name: geographic basin def: "A depression which is part of a planetary crust, is of geographic scale, and is partially or completely enclosed." [https://en.wikipedia.org/wiki/Basin] subset: envoPolar is_a: ENVO:00000309 ! depressed landform relationship: overlaps ENVO:01000638 ! planetary crust property_value: IAO:0000116 "The general semantics of depression and geographic basin are still to be worked out see https://github.com/EnvironmentOntology/envo/issues/486" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000016 name: material decumulation process def: "A process during which a mass composed of one or more environmental materials, present within a given site, decreases." [https://www.merriam-webster.com/dictionary/decumulation] comment: Experimental class for structural purposes not recommended for annotation. subset: envoPolar is_a: ENVO:02500000 ! environmental system process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000033 name: marine sediment def: "Sediment which has been transported through the marine water column, settling on the seafloor." [https://en.wikipedia.org/wiki/Pelagic_sediment#_note-8] comment: Particles of marine sediment are primarily generated by 1) processes in terrestrial systems and transported to the marine realm by the action of rivers or aeolian processes (amongst other routes) , 2) marine organisms, 3) chemical processes in seawater, or 4) cosmogeneous input. subset: envoPolar synonym: "marine sediments" EXACT [] is_a: ENVO:00002007 ! sediment relationship: output_of ENVO:03000036 ! sedimentation in a water body relationship: RO:0002220 ENVO:00001999 ! adjacent to marine water body property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000036 name: sedimentation in a water body def: "A material accumulation process during which solid particles are pulled through a water body by gravitation or centrifugal force and which ends when they settle on a solid surface." [] subset: envoPolar is_a: ENVO:03000009 ! material accumulation process relationship: BFO:0000066 ENVO:00000063 ! occurs in water body relationship: ends ENVO:03000010 ! material transport process relationship: has_part ENVO:01000875 ! precipitation process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000043 name: material transformation process def: "A process during which a portion of some environmental material is converted into a different material or a collection of materials." [] comment: Experimental class for structural purposes not recommended for annotation. A material transformation process only refers to ENVO:environmental material classes (e.g. bulk and typically impure substances), rather than transformations converting a specific chemical into another. subset: envoPolar is_a: ENVO:02500000 ! environmental system process relationship: has_input ENVO:00010483 ! environmental material relationship: has_output ENVO:00010483 ! environmental material property_value: IAO:0000116 "A different material transformation process class (or similarly named class) pertaining to the conversion of a specific chemical into another belongs in CHEBI and or REX ontologies." xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000055 name: desublimation of water vapour into ice def: "A desublimation process during which water vapour is frozen into water ice." [] subset: envoPolar is_a: ENVO:01000726 ! desublimation process is_a: ENVO:02500031 ! hydrological process relationship: has_input ENVO:00002006 ! liquid water property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000088 name: methane-laden permafrost def: "Permafrost which contains pockets of trapped methane gas." [http://www.nature.com/news/mysterious-siberian-crater-attributed-to-methane-1.15649, http://www.sciencealert.com/7-000-huge-gas-bubbles-have-formed-under-siberia-and-could-explode-at-any-moment] comment: Other hydrocarbon gasses such as carbon dioxide may also be present. These pockets can be sufficently large that the permafrost surface will undulate when pressure is applied. subset: envoPolar synonym: "bulgunyakh" EXACT [] is_a: ENVO:00000134 ! permafrost intersection_of: ENVO:00000134 ! permafrost intersection_of: has_part CHEBI:16183 ! methane relationship: has_part CHEBI:16183 ! methane property_value: IAO:0000116 "It would probably be better to assert parthood between the permafrost and cavities filled with gas rather than the gases themselves." xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000092 name: gas emission process def: "A material transport process during which a portion of gaseous environmental material is transported into the atmosphere." [https://en.wikipedia.org/wiki/Greenhouse_gas] subset: envoPolar is_a: ENVO:03000010 ! material transport process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000093 name: hydrocarbon gas emission process def: "A gas emission process during which a portion of hydrocarbon gas is transported into the atmosphere." [https://www.epa.gov/ghgemissions/overview-greenhouse-gases] comment: Some hydrocarbon gasses within the atmosphere contribute to the planetary green house gas effect by increasing absorption of solar energy. subset: envoPolar is_a: ENVO:03000092 ! gas emission process relationship: causally_upstream_of ENVO:02500004 ! greenhouse effect property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000094 name: methane gas emission process def: "A hydrocarbon gas emission process during which a portion of methane gas is transported into the atmosphere." [https://www.epa.gov/ghgemissions/overview-greenhouse-gases] comment: Methane is emitted during the production and transport of coal, natural gas, and oil. Methane emissions also result from livestock and other agricultural practices and by the decay of organic waste in municipal solid waste landfills. subset: envoPolar is_a: ENVO:03000093 ! hydrocarbon gas emission process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000110 name: cryoform def: "A solid astronomical body part which is primarily composed of a continuous mass of snow and/or ice." [] subset: envoPolar is_a: ENVO:00000191 ! solid astronomical body part property_value: IAO:0000116 "Place holder class. Also the axiom should be changed to something along the lines of 'primairly composed of’ some ‘environmental material’ and ‘has quality’ frozen once PATO:frozen is imported." xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000111 name: snow mass def: "A mass of snow." [] subset: envoPolar synonym: "accumulation of snow" BROAD [] synonym: "snow accumulation" BROAD [] xref: http://sweetontology.net/phenCryo/Accumulation is_a: ENVO:01001691 ! mass of compounded environmental materials intersection_of: ENVO:01001691 ! mass of compounded environmental materials intersection_of: RO:0002473 ENVO:01000406 ! composed primarily of snow relationship: formed_as_result_of ENVO:01001617 ! snow accumulation process relationship: RO:0002473 ENVO:01000406 ! composed primarily of snow property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000123 name: concentration of nitrate and nitrite in liquid water def: "The concentration of nitrate and nitrite when measured in liquid water." [] synonym: "liquid water nitrate and nitrite concentration" EXACT [] is_a: PATO:0000033 ! concentration of union_of: ENVO:3100022 ! concentration of nitrate in liquid water union_of: ENVO:3100023 ! concentration of nitrite in liquid water property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string [Term] id: ENVO:03000127 name: acid rainfall def: "A water-based rainfall process during which water droplets with increased acidity fall towards a planetary surface." [https://en.wikipedia.org/wiki/Acid_rain] comment: On Earth, the acidity of raindrops is typically increased through interactions of water molecules with sulfur dioxide or nitrogen oxide, released into the atmosphere by natural or anthropogenic processes. synonym: "acid rain" BROAD [] is_a: ENVO:01000830 ! water-based rainfall is_a: ENVO:01000982 ! water flow process property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-3884-3420 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000128 name: acidic water-based rain def: "Water-based rain which has increased acidity." [https://en.wikipedia.org/wiki/Acid_rain] comment: On Earth, the acidity of raindrops is typically increased through interactions of water molecules with sulfur dioxide or nitrogen oxide, released into the atmosphere by natural or anthropogenic processes. synonym: "acid rain" EXACT [] is_a: ENVO:01001565 ! water-based rain relationship: has_quality PATO:0001429 ! acidic relationship: participates_in ENVO:03000127 ! acid rainfall property_value: IAO:0000117 http://orcid.org/0000-0002-3410-4655 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-3884-3420 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-4366-3088 [Term] id: ENVO:03000143 name: cryosphere def: "An astronomical body part which is composed primarily of environmental materials in their frozen form." [https://orcid.org/0000-0003-4808-4736] comment: The term refers collectively to the portions of the earth (i.e., a planet) where water is in solid form, including snow cover, floating ice, glaciers, ice caps, ice sheets, seasonally frozen ground and perennially frozen ground (permafrost). The Cryosphere may be divided into the cryoatmosphere, the cryohydrosphere (snow cover, glaciers, and river, lake and sea Ice) and the cryolithosphere (perennially and seasonally cryotic ground, rock glacier).\n\nThis is an Earth centric definition, other cryospheres will be considered later. Some definitions reffer to that which is sufficiently cold for pure water to freeze for at least a part of each year.\n\nIt should be noted that "Some authorities exclude the earth's atmosphere from the Earth's Cryosphere; others restrict the term Cryosphere to the regions of the earth's crust where Permafrost exists."\n\nDefinitions of Cryosphere come from several glossaries including:\n- PhysicalGeography.net http://physicalgeography.net/\n- van Everdingen, Robert, ed., 2005 (1998 revised May 2005). Multi-language glossary of permafrost and related ground-ice terms. Boulder, CO: National Snow and Ice Data Center/World Data Center for Glaciology. [https://globalcryospherewatch.org/reference/glossary_docs/Glossary_of_Permafrost_and_Ground-Ice_IPA_2005.pdf]\n- American Meteorological Society, 2015. Glossary of Meteorology [online], Available at: http://glossary.ametsoc.org/wiki/Main_Page. [Accessed 27/01/2017].\n- EU Climate-ADAPT (The European Climate Adaptation Platform), no date, Glossary, Available from: http://climate-adapt.eea.europa.eu/glossary\n- IPCC, 2014: Annex II: Glossary [Agard, J., Schipper, E. L. F., (ed.)]. In: Climate Change 2014: Impacts, Adaptation, and Vulnerability. Contribution of Working Group II to the Fifth Assessment Report of the Intergovernmental Panel on Climate Change [Birkmann, J., Campos, M., Dubeux, C., Nojiri, Y., Olsson, L., Osman-Elasha, B., Pelling, M., Prather, M. J., Rivera-Ferre M. G., Ruppel, O. C., Sallenger, A., Smith, K. R., St. Clair, A. L.,]. Cambridge University Press, Cambridge, United Kingdom and New York, NY, USA. [Link]\n- NSIDC, The National Snow and Ice Data Center glossary is available at https://nsidc.org/cryosphere/glossary, Last accessed [26/01/2016].\n- Trombotto, D., P. Wainstein & L. Arenson, 2014, Guía Terminológica de la Geocriología Sudamericana” / “Terminological Guide of the South American Geocryology, 1a ed. 128 pp. [Link]\n- UNESCO-WMO, 2012, International Glossary of Hydrology, 3rd edition, WMO-No. 385. [Link] {xref="https://orcid.org/0000-0003-4808-4736"} subset: envoCryo subset: envoPolar xref: http://sweetontology.net/realm/Cryosphere is_a: ENVO:01000813 ! astronomical body part property_value: IAO:0000116 "For the moment the definition links to liquid water but in the future we might need to link to other materials for other planets, e.g., Mars. Need to make this planet agnostic. Might want to not have the definition link to years as some astronomical body parts might not be in systems with years.\n\nNote that in a strict sense, rocks are also frozen but in a practical sense we use terms like \"solidified\". This maybe something to revist if we add more astrogelogical content." xsd:string created_by: https://orcid.org/0000-0002-0337-8610 created_by: https://orcid.org/0000-0002-2282-7215 created_by: https://orcid.org/0000-0002-2908-3327 created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0003-0632-7576 created_by: https://orcid.org/0000-0003-4808-4736 creation_date: 2021-04-14T18:57:18.275Z [Term] id: ENVO:03400004 name: heavy snowfall def: "Snowfall which has an increased rate." [https://w1.weather.gov/glossary/index.php?word=HEAVY+SNOW] comment: This generally means snowfall accumulating to 4 inches or more in depth in 12 hours or less; or snowfall accumulating to 6 inches or more in depth in 24 hours or less. In forecasts, snowfall amounts are expressed as a range of values, e.g., "8 to 12 inches." However, in heavy snow situations where there is considerable uncertainty concerning the range of values, more appropriate phrases are used, such as "...up to 12 inches..." or alternatively "...8 inches or more...". {xref="https://w1.weather.gov/glossary/index.php?word=HEAVY+SNOW"} subset: envoCryo subset: envoPolar synonym: "heavy snow" RELATED [] synonym: "intense snow" RELATED [] synonym: "intense snowfall" EXACT [] xref: http://sweetontology.net/phenAtmoPrecipitation/HeavySnowfall is_a: ENVO:01000895 ! snowfall intersection_of: ENVO:01000895 ! snowfall intersection_of: has_quality PATO:0000912 ! increased rate relationship: has_quality PATO:0000912 ! increased rate created_by: https://orcid.org/0000-0002-0337-8610 created_by: https://orcid.org/0000-0002-2282-7215 created_by: https://orcid.org/0000-0002-2908-3327 created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-4366-3088 created_by: https://orcid.org/0000-0003-0632-7576 created_by: https://orcid.org/0000-0003-4808-4736 creation_date: 2021-04-14T18:57:18.275Z [Term] id: ENVO:03500012 name: ultrasound radiation def: "An acoustic radiation process during which waves that transmit sound energy at frequencies above 20 kHz are emitted by a source." [] xref: http://purl.bioontology.org/ontology/npo#NPO_1744 is_a: ENVO:01001027 ! acoustic radiation [Term] id: ENVO:03500013 name: mid-infrared radiation def: "An infrared radiation during which waves with frequencies between 30 THz and 120 THz and with wavelengths between 10 micrometers and 2.5 micrometers are emitted by a source." [] xref: http://purl.bioontology.org/ontology/npo#NPO_1739 is_a: ENVO:21001214 ! infrared radiation [Term] id: ENVO:03500014 name: near-infrared radiation def: "An infrared radiation during which waves with frequencies between 120 THz and 400 THz and with wavelengths between 2.5 micrometers and 750 nanometers are emitted by a source." [] xref: http://purl.bioontology.org/ontology/npo#NPO_1740 is_a: ENVO:21001214 ! infrared radiation [Term] id: ENVO:03500015 name: far-infrared radiation def: "An infrared radiation which consists of waves with frequencies between 300 GHz and 30 THz and with wavelengths between 1 mm and 10 micrometers are emitted by a source." [] xref: http://purl.bioontology.org/ontology/npo#NPO_1738 is_a: ENVO:21001214 ! infrared radiation [Term] id: ENVO:03501134 name: healthcare facility def: "A human construction in which healthcare is provided." [https://en.wikipedia.org/wiki/Health_facility] synonym: "health facility" EXACT [] synonym: "medical facility" EXACT [] is_a: ENVO:00000070 ! human construction created_by: https://orcid.org/0000-0002-9578-0788 creation_date: 2021-03-15T04:00:01.750Z [Term] id: ENVO:03501300 name: manure def: "An environmental material consisting of organic matter from plants and/or animals that is used in agriculture as fertilizer." [https://en.wikipedia.org/wiki/Manure] comment: Most manure consists of animal feces; other sources include compost and green manure. synonym: "animal manure" NARROW [] synonym: "compost" NARROW [] synonym: "farm slurry" NARROW [] synonym: "green manure" NARROW [] synonym: "liquid manure" NARROW [] is_a: ENVO:00010483 ! environmental material created_by: https://orcid.org/0000-0002-9578-0788 creation_date: 2021-03-15T04:00:01.750Z [Term] id: ENVO:03510000 name: wood dust def: "Dust which is 1) generated when wood is processed and 2) composed primarily of cellulose, polyoses, and lignin." [] comment: Wood dust is typically generated through processes where wood is chipped, sawed, turned, drilled or sanded. The chemical composition of wood dust depends on the species of tree. Wood dust is not typically produced for specific uses. However, it is used commercially for wood composts. The primary routes of potential human exposure to wood dust are inhalation and dermal contact. It is known to be a human carcinogen. xref: http://purl.obolibrary.org/obo/NCIT_C44463 is_a: ENVO:00002008 ! dust property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:28:49Z xsd:dateTime [Term] id: ENVO:03510001 name: brake fluid def: "A hydraulic fluid which is 1) used in hydraulic brake and hydraulic clutch applications in vehicles to amplify braking force and 2) composed primarily of ethylene glycol, polyglycols, silicone fluids, and isobutyl alcohol." [https://doi.org/10.1520/JTE14254, https://en.wikipedia.org/wiki/Brake_fluid] is_a: ENVO:03510004 ! hydraulic fluid property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:32:09Z xsd:dateTime [Term] id: ENVO:03510002 name: automatic transmission fluid def: "Fluid used for valve operation, brake band friction, and gear lubrication within an automatic vehicle transmission." [https://en.wikipedia.org/wiki/Automatic_transmission_fluid] synonym: "ATF" EXACT [] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:34:16Z xsd:dateTime [Term] id: ENVO:03510003 name: famine def: "An environmental system process during which populations have reduced access to food, causing increased hunger, malnutrition, and consequent mortality." [] is_a: ENVO:02500000 ! environmental system process property_value: http://purl.org/dc/elements/1.1/date 2021-09-22T14:34:25Z xsd:dateTime created_by: https://orcid.org/0000-0002-7463-6306 [Term] id: ENVO:03510004 name: hydraulic fluid def: "A medium by which power is transferred in hydraulic machinery." [https://en.wikipedia.org/wiki/Hydraulic_fluid] comment: Common hydraulic fluids are based on mineral oil or water. xref: http://purl.enanomapper.org/onto/ENM_8000199 is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:35:45Z xsd:dateTime [Term] id: ENVO:03510005 name: motor oil def: "A lubricant for internal combustion engines which 1) reduces friction and wear 2) cleans the engine 3) neutralizes acids 4) improves sealing of piston rings, and 5) cools the engine." [https://en.wikipedia.org/wiki/Motor_oil] synonym: "engine lubricant" EXACT [] synonym: "engine oil" EXACT [] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:37:56Z xsd:dateTime [Term] id: ENVO:03510006 name: diesel fuel def: "A liquid fuel used in diesel engines, whose fuel ignition takes place, without any spark, as a result of compression of the inlet air mixture and then injection of fuel." [https://en.wikipedia.org/wiki/Diesel_fuel, https://www.eia.gov/energyexplained/diesel-fuel/] synonym: "petroleum distillate fuel oil" BROAD [] is_a: ENVO:00002984 ! petroleum property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:39:59Z xsd:dateTime [Term] id: ENVO:03510007 name: gasoline def: "A clear petroleum-derived flammable liquid which is used as fuel in most spark-ignited internal combustion engines." [https://en.wikipedia.org/wiki/Gasoline] comment: Gasoline consists mostly of organic compounds obtained by the fractional distillation of petroleum, enhanced with a variety of additives. synonym: "gas" EXACT [] synonym: "petrol" EXACT [] is_a: ENVO:00002984 ! petroleum property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:41:45Z xsd:dateTime [Term] id: ENVO:03510008 name: diesel exhaust def: "A gas which results from the incomplete or complete combustion of diesel fuel." [] xref: http://purl.obolibrary.org/obo/NCIT_C113679 is_a: ENVO:01000797 ! gaseous environmental material relationship: has_part CHEBI:15368 ! acrolein relationship: has_part CHEBI:15377 ! water relationship: has_part CHEBI:16134 ! ammonia relationship: has_part CHEBI:16136 ! hydrogen sulfide relationship: has_part CHEBI:16183 ! methane relationship: has_part CHEBI:16526 ! carbon dioxide relationship: has_part CHEBI:16716 ! benzene relationship: has_part CHEBI:16842 ! formaldehyde relationship: has_part CHEBI:17245 ! carbon monoxide relationship: has_part CHEBI:17578 ! toluene relationship: has_part CHEBI:17790 ! methanol relationship: has_part CHEBI:18407 ! hydrogen cyanide relationship: has_part CHEBI:18422 ! sulfur dioxide relationship: has_part CHEBI:24840 ! inorganic sulfate salt relationship: has_part CHEBI:24873 ! iron molecular entity relationship: has_part CHEBI:25567 ! nitrous acid relationship: has_part CHEBI:26836 ! sulfuric acid relationship: has_part CHEBI:27364 ! zinc molecular entity relationship: has_part CHEBI:30751 ! formic acid relationship: has_part CHEBI:33415 ! elemental carbon relationship: has_part CHEBI:33585 ! lead molecular entity relationship: has_part CHEBI:33666 ! polycyclic hydrocarbon relationship: has_part CHEBI:33749 ! platinum molecular entity relationship: has_part CHEBI:35196 ! nitrogen oxide relationship: has_part CHEBI:37133 ! barium molecular entity relationship: has_part CHEBI:39478 ! buta-1,3-diene relationship: has_part CHEBI:48107 ! nitric acid relationship: has_part CHEBI:51084 ! inorganic nitrate salt relationship: has_part CHEBI:5686 ! heterocyclic compound relationship: has_part ENVO:01000060 ! particulate environmental material relationship: RO:0001000 ENVO:03510006 ! derives from diesel fuel property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:43:30Z xsd:dateTime created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510009 name: gasoline exhaust def: "A gas which results from the complete or incomplete combustion of gasoline fuel." [https://www.ncbi.nlm.nih.gov/books/NBK531367/] is_a: ENVO:01000797 ! gaseous environmental material relationship: has_part CHEBI:15368 ! acrolein relationship: has_part CHEBI:15377 ! water relationship: has_part CHEBI:16134 ! ammonia relationship: has_part CHEBI:16136 ! hydrogen sulfide relationship: has_part CHEBI:16183 ! methane relationship: has_part CHEBI:16526 ! carbon dioxide relationship: has_part CHEBI:16716 ! benzene relationship: has_part CHEBI:16842 ! formaldehyde relationship: has_part CHEBI:17245 ! carbon monoxide relationship: has_part CHEBI:17578 ! toluene relationship: has_part CHEBI:17790 ! methanol relationship: has_part CHEBI:18407 ! hydrogen cyanide relationship: has_part CHEBI:18422 ! sulfur dioxide relationship: has_part CHEBI:24840 ! inorganic sulfate salt relationship: has_part CHEBI:25567 ! nitrous acid relationship: has_part CHEBI:30751 ! formic acid relationship: has_part CHEBI:33585 ! lead molecular entity relationship: has_part CHEBI:33666 ! polycyclic hydrocarbon relationship: has_part CHEBI:33749 ! platinum molecular entity relationship: has_part CHEBI:35196 ! nitrogen oxide relationship: has_part CHEBI:39478 ! buta-1,3-diene relationship: has_part CHEBI:48107 ! nitric acid relationship: has_part CHEBI:51084 ! inorganic nitrate salt relationship: has_part CHEBI:5686 ! heterocyclic compound relationship: has_part ENVO:01000060 ! particulate environmental material relationship: RO:0001000 ENVO:03510007 ! derives from gasoline property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:44:42Z xsd:dateTime created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510010 name: dye def: "A coloured substance that chemically bonds to the substrate to which it is being applied" [https://en.wikipedia.org/wiki/Dye] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:46:13Z xsd:dateTime [Term] id: ENVO:03510011 name: leather dye def: "Pigments carried by solvents or water which are applied to leather to be absorbed into the pores of the leather to deposit coloration." [https://en.wikipedia.org/wiki/Leather_crafting] is_a: ENVO:03510010 ! dye property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:47:25Z xsd:dateTime [Term] id: ENVO:03510012 name: paper dye def: "Dyes used for the coloration or brightening of paper." [https://en.wikipedia.org/wiki/Dye] is_a: ENVO:03510010 ! dye property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:48:08Z xsd:dateTime [Term] id: ENVO:03510013 name: textile dye def: "Dyes utilized for coloring textiles such as wool or cellulose fibers." [https://www.britannica.com/topic/textile/Dyeing-and-printing] comment: Textile dyes may include acid dyes, substantive dyes, mordant dues, sulfur dyes, azoic dyes, and disperse dyes. synonym: "fabric dye" EXACT [] is_a: ENVO:03510010 ! dye property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:48:53Z xsd:dateTime [Term] id: ENVO:03510014 name: India ink def: "A black or colored ink which is 1) used for writing, printing, and drawing and 2) made from fine soot (lampblack) and water." [https://en.wikipedia.org/wiki/India_ink] synonym: "Chinese ink" EXACT [] synonym: "Indian ink" EXACT [] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:50:57Z xsd:dateTime [Term] id: ENVO:03510015 name: xanthan gum def: "A polysaccharide that functions as an emulsifier, stabilizer, and thickener in mixtures." [] xref: http://purl.obolibrary.org/obo/DRON_00723355 xref: http://purl.obolibrary.org/obo/FOODON_03413321 xref: http://purl.obolibrary.org/obo/NCIT_C84244 is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:52:46Z xsd:dateTime [Term] id: ENVO:03510016 name: tragacanth def: "A naturally occurring plant-based gum, which functions as a viscous, odorless, tasteless, water-soluble mixture of polysaccharides that absorbs water to become a gel/paste." [] comment: Tragacanth has many uses, including as an emulsifier, thickener, stabilizer, and texturant additive for foods, pharmaceuticals, and art materials. synonym: "shiraz gum" EXACT [] synonym: "tragacanth gum" EXACT [] xref: http://purl.obolibrary.org/obo/DRON_00723978 xref: http://purl.obolibrary.org/obo/FOODON_03413310 xref: http://purl.obolibrary.org/obo/NCIT_C84223 xref: http://purl.obolibrary.org/obo/OMIT_0014984 is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:54:12Z xsd:dateTime [Term] id: ENVO:03510017 name: fountain pen ink def: "Water based ink intended for use with fountain ink pens." [https://en.wikipedia.org/wiki/Fountain_pen_ink] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:56:50Z xsd:dateTime [Term] id: ENVO:03510018 name: resin def: "A solid or highly viscous plant or synthetic based substance that is typically convertible into polymers." [https://en.wikipedia.org/wiki/Resin] is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:58:04Z xsd:dateTime [Term] id: ENVO:03510019 name: cleaning agent def: "A liquid, powder, spray, or granule used to remove dirt, including dust, stains, bad smells, and clutter on surfaces." [https://en.wikipedia.org/wiki/Cleaning_agent] synonym: "cleaning product" EXACT [] is_a: ENVO:2000000 ! chemical product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T17:59:40Z xsd:dateTime [Term] id: ENVO:03510020 name: degreaser def: "A cleaning agent which 1) contains organic solvents and 2) dissolves oils and fats for the removal of grease." [https://en.wikipedia.org/wiki/Cleaning_agent#Degreasers] synonym: "solvent degreaser" EXACT [] is_a: ENVO:03510019 ! cleaning agent property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:05:31Z xsd:dateTime [Term] id: ENVO:03510021 name: varnish def: "A clear transparent hard protective film or finish, primarily used for wood finishing applications." [https://en.wikipedia.org/wiki/Varnish] comment: Varnish is traditionally composed of a drying oil, a resin, and a thinner or solvent. is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:06:48Z xsd:dateTime [Term] id: ENVO:03510022 name: resin (gum) varnish def: "A varnish containing a natural, plant- or insect-derived substance dissolved in a solvent, called spirit varnish or solvent varnish." [https://en.wikipedia.org/wiki/Varnish] synonym: "gum varnish" EXACT [] synonym: "resin varnish" EXACT [] is_a: ENVO:03510021 ! varnish property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:07:58Z xsd:dateTime [Term] id: ENVO:03510023 name: shellac def: "A resin secreted by the female lac bug, which is dissolved in alcohol to be used as a brush-on colorant, food glaze, and wood finish." [https://en.wikipedia.org/wiki/Shellac] synonym: "shellack" EXACT [] is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:09:37Z xsd:dateTime [Term] id: ENVO:03510024 name: lacquer def: "A category of hard and potentially shiny (clear or colored) finishes which can be applied to materials including wood or metal." [https://en.wikipedia.org/wiki/Lacquer] is_a: ENVO:2000000 ! chemical product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:11:57Z xsd:dateTime [Term] id: ENVO:03510025 name: paint thinner def: "A solvent that can dissolve paint and reduce viscosity of paint or \"thin\" it." [https://www.truevaluepaint.com/paint/exterior/prep_cleanup_and_safety/use_paint_thinner_properly.aspx#\:~\:text=Paint%20thinners%20are%20solvents%20that\,cleanup%20of%20spills%20or%20splatters] comment: Paint thinners can aid in removal of paint from brushes, rollers, or in spill cleanup. is_a: ENVO:2000000 ! chemical product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:12:49Z xsd:dateTime [Term] id: ENVO:03510026 name: acrylic paint medium def: "A liquid, gel, or paste that can be mixed into acrylic paint to alter paint consistency and properties." [https://en.wikipedia.org/wiki/Acrylic_paint] synonym: "acrylic paint thinner" BROAD [] is_a: ENVO:03510025 ! paint thinner property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:13:54Z xsd:dateTime [Term] id: ENVO:03510027 name: enamel thinner def: "A paint thinner specific for altering the viscosity of enamel paints." [] is_a: ENVO:03510025 ! paint thinner property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:15:13Z xsd:dateTime [Term] id: ENVO:03510028 name: oil paint thinner def: "A solvent used to thin oil-based paints or clean up after their use." [https://en.wikipedia.org/wiki/Paint_thinner] is_a: ENVO:03510025 ! paint thinner property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:15:45Z xsd:dateTime [Term] id: ENVO:03510029 name: primer (paint) def: "A paint product which adheres to surfaces and forms a binding layer, preparing it to receive paint." [https://en.wikipedia.org/wiki/Primer_(paint)] is_a: ENVO:02000123 ! paint property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:17:39Z xsd:dateTime [Term] id: ENVO:03510030 name: vitreous enamel def: "A smooth, durable vitreous coating which is made by fusing powdered glass to a substrate." [https://en.wikipedia.org/wiki/Vitreous_enamel] comment: Enamel can be used on metal, glass, ceramics, stone, or any material able to withstand the fusing temperature. Enamel is made by 1) firing, melting the powder and 2) allowing allowing it to flow across a surface to then harden. synonym: "porcelain enamel" EXACT [] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:18:43Z xsd:dateTime [Term] id: ENVO:03510031 name: oil-based paint def: "A slow-drying paint that consists of particles of pigment suspended in a drying oil, commonly linseed oil." [https://en.wikipedia.org/wiki/Oil_paint] synonym: "oil paint" EXACT [] is_a: ENVO:02000123 ! paint property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:21:06Z xsd:dateTime [Term] id: ENVO:03510032 name: acrylic paint def: "A water soluble, fast-drying paint made of pigment suspended in acrylic polymer emulsion." [https://en.wikipedia.org/wiki/Acrylic_paint] is_a: ENVO:02000123 ! paint property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:22:26Z xsd:dateTime [Term] id: ENVO:03510033 name: luminescent paint def: "A paint that exhibits luminescence, giving off visible light through fluorescence, phosphorescence, or radioluminescence." [https://en.wikipedia.org/wiki/Luminous_paint] synonym: "luminous paint" EXACT [] is_a: ENVO:02000123 ! paint property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:23:19Z xsd:dateTime [Term] id: ENVO:03510034 name: turpentine def: "A fluid obtained by the distillation of resin harvested from living trees, primarily used as a solvent." [https://en.wikipedia.org/wiki/Turpentine] comment: Turpentine is composed of terpenes. synonym: "oil of turpentine" EXACT [] synonym: "spirit of turpentine" EXACT [] synonym: "turps" EXACT [] synonym: "wood turpentine" EXACT [] is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:24:40Z xsd:dateTime [Term] id: ENVO:03510035 name: naphtha def: "A flammable liquid hydrocarbon mixture produced from natural gas condensates, petroleum distillates, and the distillation of coal tar and peat." [https://en.wikipedia.org/wiki/Naphtha] comment: Light and heavy varieties may consist of distinct quantities of carbon atoms per molecule. is_a: ENVO:00003074 ! manufactured product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:26:21Z xsd:dateTime [Term] id: ENVO:03510036 name: rock dust def: "Dust which is composed of minerals and trace elements, generated by finely crushed rock." [https://en.wikipedia.org/wiki/Rockdust] comment: Rock dust is widely used in mining to prevent coal dust explosions, or in agriculture for organic farming uses. synonym: "mineral fines" BROAD [] synonym: "rock flour" BROAD [] synonym: "rock powder" EXACT [] synonym: "soil remineralization" BROAD [] is_a: ENVO:00002008 ! dust property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:27:44Z xsd:dateTime [Term] id: ENVO:03510037 name: radioactive material def: "Any material containing unstable atoms that emit ionizing radiation as it decays." [https://www.ehs.iastate.edu/research/radiation/radioactive-materials] is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:32:42Z xsd:dateTime [Term] id: ENVO:03510038 name: volume of cyanoacrylate def: "An environmental material which is primarily composed of cyanoacrolate." [https://en.wikipedia.org/wiki/Cyanoacrylate] comment: Cyanoacrylates have industrial, medical, and household uses. A strong fast-acting adhesive which is an ester of cyanoacrylic acid. is_a: ENVO:00010483 ! environmental material relationship: has_function ENVO:00003076 ! glue property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:34:01Z xsd:dateTime [Term] id: ENVO:03510039 name: obsolete plastic production compound def: "OBSOLETE A compound utilized for the production of plastics or polymers." [https://plastics.americanchemistry.com/How-Plastics-Are-Made/] comment: This term is ambigious, as it could refer to the compound the plastic is (supposed to be) made of, additives, contaminants, etc. Please instead directly refer to the compound of interest. property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:35:21Z xsd:dateTime is_obsolete: true consider: CHEBI:53243 consider: CHEBI:53550 consider: CHEBI:60027 consider: CHEBI:60034 consider: CHEBI:60737 consider: CHEBI:61452 consider: CHEBI:61642 consider: ENVO:01000777 [Term] id: ENVO:03510040 name: stain def: "A preparation with dye or pigment used to deposit coloration to a substrate." [https://www.merriam-webster.com/dictionary/stain] is_a: ENVO:2000000 ! chemical product property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:36:50Z xsd:dateTime [Term] id: ENVO:03510041 name: wood stain def: "A stain which has colorants dissolved and/or suspended in a vehicle or solvent, used to add color to wood." [https://en.wikipedia.org/wiki/Wood_stain] comment: Wood stain is designed to add color to substrates, while still leaving some of the substrate visible. is_a: ENVO:03510040 ! stain property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-7463-6306 property_value: http://purl.org/dc/elements/1.1/date 2020-08-03T18:37:42Z xsd:dateTime [Term] id: ENVO:03510055 name: rubber cement def: "An environmental material which is composed of elastic polymers mixed in a solvent." [] comment: Solvents typically used include acetone, hexane, heptane or toluene. synonym: "cow gum" EXACT [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:2000045 ! hydrocarbon-based environmental material relationship: has_function ENVO:00003076 ! glue relationship: has_part CHEBI:28798 ! rubber particle relationship: has_part CHEBI:30879 ! alcohol relationship: RO:0002473 CHEBI:43098 ! composed primarily of heptane created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510056 name: methyl cellulose paste def: "An environmental material which is 1) composed primarily of methyl cellulose and water, and 2) formulated to fix wallpaper to walls." [] synonym: "wallpaper adhesive" EXACT [] synonym: "wallpaper paste" EXACT [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:01000155 ! organic material relationship: has_function ENVO:00003076 ! glue relationship: RO:0002473 CHEBI:15377 ! composed primarily of water relationship: RO:0002473 CHEBI:53448 ! composed primarily of methyl cellulose created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510057 name: permanent hair dye def: "An environmental material which is 1) manufactured and 2) primarily composed of hydrogen peroxide and ammonia, and 3) when applied to hair, can alter the natural hair pigments for 6-8 weeks." [] synonym: "hair color" RELATED [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material relationship: has_function ENVO:03510066 ! chemical colorant relationship: RO:0002473 CHEBI:16134 ! composed primarily of ammonia relationship: RO:0002473 CHEBI:16240 ! composed primarily of hydrogen peroxide created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510058 name: pharmaceutical ink def: "A colorant fluid which is 1) manufactured and 2) composed of alcohol, titanium dioxide, and propylene glycol." [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:03510065 ! colorant fluid relationship: has_part CHEBI:16997 ! propane-1,2-diol relationship: has_part CHEBI:30879 ! alcohol relationship: has_part CHEBI:32234 ! titanium dioxide created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510060 name: gel ink def: "A colorant fluid which is 1) manufactured and 2) composed of copper phthalocyanine, iron oxides, water, and biopolymers." [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:03510065 ! colorant fluid relationship: has_part CHEBI:15377 ! water relationship: has_part CHEBI:155903 ! copper(II) phthalocyanine relationship: has_part CHEBI:18154 ! polysaccharide relationship: has_part CHEBI:50816 ! iron oxide created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510061 name: soy ink def: "A colorant fluid which is 1) manufactured and 2) primarily composed of soybean oil, as well as pigment, resin, and wax." [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:03510065 ! colorant fluid relationship: has_part ENVO:01000575 ! wax relationship: has_part ENVO:03510018 ! resin relationship: has_role CHEBI:26130 ! biological pigment relationship: RO:0002473 CHEBI:166975 ! composed primarily of soybean oil created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510062 name: aqueous inkjet printer ink def: "A colorant fluid which is 1) manufactured, 2) primarily composed of water, as well as glycol, and dye, and 3) intended for use in inkjet printers." [] is_a: ENVO:00003074 ! manufactured product is_a: ENVO:0010001 ! anthropogenic environmental material is_a: ENVO:03510065 ! colorant fluid relationship: has_part CHEBI:13643 ! glycol relationship: has_part ENVO:03510010 ! dye relationship: RO:0002473 CHEBI:15377 ! composed primarily of water created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510064 name: emissions from petroleum combustion def: "An environmental material which is composed primarily of gases and particles produced by the combustion of petroleum fuels." [] is_a: ENVO:00010483 ! environmental material relationship: output_of ENVO:01000839 ! combustion process relationship: RO:0001000 ENVO:00002984 ! derives from petroleum created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-02-12T15:10:14.018Z [Term] id: ENVO:03510065 name: colorant fluid def: "A liquid environmental material which 1) contains at least one substance which can act as a chemical colorant." [] is_a: ENVO:01000815 ! liquid environmental material intersection_of: ENVO:01000815 ! liquid environmental material intersection_of: has_function ENVO:03510066 ! chemical colorant relationship: has_function ENVO:03510066 ! chemical colorant created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-04-15T15:10:14.018Z [Term] id: ENVO:03510066 name: chemical colorant def: "A function which is realised by a chemical when applied to a material, such that it alters the material's colour." [] is_a: BFO:0000034 ! function relationship: characteristic_of CHEBI:24431 ! chemical entity created_by: https://orcid.org/0000-0002-3410-4655 created_by: https://orcid.org/0000-0002-7356-1779 created_by: https://orcid.org/0000-0002-7463-6306 creation_date: 2021-04-15T15:10:14.018Z [Term] id: ENVO:03520000 name: low atmospheric level comment: A part of the troposphere which extends from the Earth's surface to 2 km (0 - 6500 ft) height. {xref="levels"} synonym: "low étage" EXACT [] is_a: ENVO:01000543 ! atmospheric layer relationship: has_part ENVO:01000323 ! atmospheric boundary layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this). The german wikipedia page notes layers that coincide with the extent of the low étage, however, I have not yet seen further mention of them elsewhere and am thus hesitant about adding them." xsd:string {xref="https://de.wikipedia.org/wiki/Troposphäre"} [Term] id: ENVO:03520001 name: middle atmospheric level comment: A part of the troposphere which extends from 2 km to 4 km (6 500 – 13 000 ft) height in the polar region, from 2 km to 7 km (6 500 – 23 000 ft) height in the temperate region, and from 2 km to 8 km (6 500 – 25 000 ft) height in the tropical region. {xref="levels"} synonym: "middle étage" EXACT [] is_a: ENVO:01000543 ! atmospheric layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this)." xsd:string [Term] id: ENVO:03520002 name: high atmospheric level comment: A part of the troposphere which extends from 3 km to 8 km (10 000 – 25 000 ft) height in the polar region, from 5 km to 13 km (16 500 – 45 000 ft) height in the temperate region, and from 6 km to 18 km (20 000 – 60 000 ft) height in the tropical region. {xref="levels"} synonym: "high étage" EXACT [] is_a: ENVO:01000543 ! atmospheric layer property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "To be revised when we have information about the real definition. The definitions given by WMO cloud atlas are entered as comment, as these are not the defining features of the levels but the result of whatever it is that defines the levels (I assume temperature, density, etc. but have not yet found clear information about this)." xsd:string [Term] id: ENVO:03520003 name: cloud part def: "A part of a cloud." [] is_a: ENVO:01001784 ! compound astronomical body part relationship: part_of ENVO:01000760 ! cloud property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X property_value: IAO:0000116 "This definition is practical but may need refinement." xsd:string [Term] id: ENVO:03520004 name: cloud base def: "A cloud part which is closest to the surface of the astronomical body local to the cloud." [] is_a: ENVO:03520003 ! cloud part property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X [Term] id: ENVO:03520005 name: cloud top def: "A cloud part which is furthest from the surface of the astronomical body local to the cloud." [] is_a: ENVO:03520003 ! cloud part property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X [Term] id: ENVO:03520007 name: snow crystal def: "A water ice crystal which is constituted by water molecules aligned in a hexagonal array." [http://www.snowcrystals.com/science/science.html, https://www.athropolis.com/arctic-facts/fact-snow-crystal.htm, https://www.noaa.gov/stories/how-do-snowflakes-form-science-behind-snow] synonym: "snowflake" BROAD [] {comment="Snow crystals and snowflakes are often noted as synonyms, however, the term \"snowflake\" is generally used more loosely. Some sites mention that snow crystals refer to individual crystals of ice, while the term \"snowflake\" can refer both to an individual crystal of ice and to a bundle of snow crystals. Please see here [https://github.com/EnvironmentOntology/envo/issues/998#issuecomment-685649444]"} is_a: ENVO:01000846 ! water ice crystal property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-2996-719X [Term] id: ENVO:03600001 name: chemically contaminated sediment def: "Sediment which contains some chemical contaminant." [https://en.wikipedia.org/wiki/Contamination] is_a: ENVO:00002114 ! chemically enriched sediment property_value: IAO:0000116 "See https://github.com/EnvironmentOntology/envo/issues/1102 for a possible design pattern.\n\nUses undesirability standard, compared to polluted river's ecological impact standard. What is the relation to ENVO:00002114 'chemically enriched sediment'? Does 'element' in the definition refer to something found in the periosic table (like selenium) or the member of some set, aka an entity?" xsd:string created_by: https://orcid.org/0000-0002-6670-9157 creation_date: 2021-04-05T16:38:47.162Z [Term] id: ENVO:04000003 name: concentration of carbon dioxide in soil def: "The concentration of carbon dioxide when measured in soil." [] subset: envoNceas is_a: ENVO:3200071 ! concentration of organic molecular entity in soil property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-03-14T21:13:30Z xsd:dateTime [Term] id: ENVO:04000004 name: concentration of carbon dioxide in air def: "The concentration of carbon dioxide when measured in air." [] subset: envoNceas is_a: PATO:0000033 ! concentration of property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-03-14T21:24:04Z xsd:dateTime [Term] id: ENVO:04000005 name: concentration of carbon dioxide in freshwater def: "The concentration of carbon dioxide when measured in freshwater." [] subset: envoNceas is_a: PATO:0000033 ! concentration of property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-03-14T21:29:50Z xsd:dateTime [Term] id: ENVO:04000006 name: concentration of carbon dioxide in seawater def: "The concentration of carbon dioxide when measured in seawater." [] subset: envoNceas is_a: PATO:0000033 ! concentration of property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-03-14T21:35:30Z xsd:dateTime [Term] id: ENVO:04000010 name: soil surface layer def: "A surface layer which is composed primarily of soil." [] subset: envoNceas is_a: ENVO:01001311 ! solid surface layer is_a: ENVO:01001483 ! surface of an astronomical body is_a: ENVO:06105266 ! soil layer intersection_of: ENVO:01001311 ! solid surface layer intersection_of: RO:0002473 ENVO:00001998 ! composed primarily of soil relationship: part_of ENVO:01000820 ! pedosphere property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-04-12T17:35:13Z xsd:dateTime [Term] id: ENVO:04000015 name: carbon sequestration process def: "A material accumulation process during which atmospheric carbon dioxide is captured and stored." [https://www.usgs.gov/faqs/what-carbon-sequestration?qt-news_science_products=0#qt-news_science_products] subset: envoNceas is_a: ENVO:03000009 ! material accumulation process property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1264-1166 property_value: http://purl.org/dc/elements/1.1/date 2019-06-07T23:28:29Z xsd:dateTime [Term] id: ENVO:06105101 name: plastic def: "An environnmental material which 1) is composed primarily of polymers with high molecular mass and 2) once deformed does not spontaneously return to its original shape." [https://readanddigest.com/what-is-plastic/, https://www.britannica.com/science/plastic#ref82461, https://www.lexico.com/definition/plastic] comment: "High molecular mass" can be ambiguous as it does not set a threshold for what is considered "high". Here we make no commitment to a threshold. subset: envoPlastics synonym: "Kunststoff" NARROW [] {comment="In German \"Kunststoff\" connotes those plastics which have intentionally been shaped by some art, thus \"Kunst\"."} synonym: "plastica" EXACT [] synonym: "Plastik" EXACT [] synonym: "塑膠" EXACT [] is_a: ENVO:00010483 ! environmental material property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1072-8081 property_value: http://purl.org/dc/elements/1.1/date 2021-04-07T14:40:26Z xsd:dateTime [Term] id: ENVO:06105112 name: synthetic plastic def: "A plastic which is composed primarily of polymers produced by a manufacturing process." [] subset: envoPlastics subset: envoPolar synonym: "manufactured plastic" EXACT [] xref: c:5998 xref: http://eurovoc.europa.eu/1837 is_a: ENVO:06105101 ! plastic property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-2996-719X property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-8166-0486 property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0003-1072-8081 property_value: http://purl.org/dc/elements/1.1/date 2021-05-07T09:12:35Z xsd:dateTime property_value: IAO:0000116 "The corresponding subclass axiom will be added in the second phase of this project." xsd:string [Term] id: ENVO:06105266 name: soil layer def: "A layer that is composed primarily of soil." [] is_a: ENVO:01000281 ! layer intersection_of: ENVO:01000281 ! layer intersection_of: RO:0002473 ENVO:00001998 ! composed primarily of soil relationship: RO:0002473 ENVO:00001998 ! composed primarily of soil property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-8461-9745 [Term] id: ENVO:06105271 name: soil texture def: "Texture which inheres in soil." [] is_a: PATO:0000150 ! texture intersection_of: PATO:0000150 ! texture intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil property_value: http://purl.org/dc/elements/1.1/creator http://orcid.org/0000-0002-2627-0696 property_value: http://purl.org/dc/elements/1.1/date 2021-12-26T21:49:12Z xsd:dateTime [Term] id: ENVO:06105304 name: water-holding capacity of soil def: "Water-holding capacity which inheres in some soil." [https://www.canr.msu.edu/news/why_is_soil_water_holding_capacity_important] synonym: "soil water-holding capacity" EXACT [] is_a: ENVO:01003001 ! water-holding capacity relationship: characteristic_of ENVO:00001998 ! soil property_value: http://purl.org/dc/elements/1.1/creator http://orcid.org/0000-0002-8461-9745 property_value: http://purl.org/dc/terms/creator https://orcid.org/0000-0001-6284-4821 [Term] id: ENVO:09000004 name: amount of carbon atom in environmental material def: "The amount of a carbon atom when measured in environmental material." [] synonym: "environmental material carbon atom amount" EXACT [] is_a: PATO:0000070 ! amount [Term] id: ENVO:09000005 name: amount of carbon atom in soil def: "The amount of a carbon atom when measured in soil." [] synonym: "soil carbon atom amount" EXACT [] is_a: ENVO:09000004 ! amount of carbon atom in environmental material [Term] id: ENVO:09000006 name: amount of carbon atom in water def: "The amount of a carbon atom when measured in water." [] synonym: "water carbon atom amount" EXACT [] is_a: ENVO:09000004 ! amount of carbon atom in environmental material [Term] id: ENVO:09000007 name: concentration of carbon atom in environmental material def: "The concentration of a carbon atom when measured in environmental material." [] synonym: "environmental material carbon atom concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000008 name: concentration of carbon atom in soil def: "The concentration of a carbon atom when measured in soil." [] synonym: "soil carbon atom concentration" EXACT [] is_a: ENVO:09000007 ! concentration of carbon atom in environmental material [Term] id: ENVO:09000009 name: concentration of carbon atom in water def: "The concentration of a carbon atom when measured in water." [] synonym: "water carbon atom concentration" EXACT [] is_a: ENVO:09000007 ! concentration of carbon atom in environmental material [Term] id: ENVO:09000022 name: concentration of clay in soil def: "The concentration of a clay when measured in soil." [] synonym: "soil clay concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000023 name: concentration of slit in soil def: "The concentration of a slit when measured in soil." [] synonym: "soil slit concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000024 name: concentration of sand in soil def: "The concentration of a sand when measured in soil." [] synonym: "soil sand concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000025 name: concentration of gravel in soil def: "The concentration of a gravel when measured in soil." [] synonym: "soil gravel concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000026 name: concentration of liquid water in soil def: "The concentration of a liquid water when measured in soil." [] synonym: "soil liquid water concentration" EXACT [] synonym: "soil moisture content" EXACT [] synonym: "soil water content" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09000027 name: concentration of salt in soil def: "The concentration of a salt when measured in soil." [] synonym: "soil salt concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity [Term] id: ENVO:09200000 name: temperature of environmental material def: "The temperature of some environmental material." [] synonym: "environmental material temperature" EXACT [] is_a: PATO:0000146 ! temperature intersection_of: PATO:0000146 ! temperature intersection_of: characteristic_of ENVO:00010483 ! environmental material relationship: characteristic_of ENVO:00010483 ! environmental material [Term] id: ENVO:09200001 name: temperature of air def: "The temperature of some air." [] synonym: "air temperature" EXACT [] is_a: ENVO:09200000 ! temperature of environmental material intersection_of: PATO:0000146 ! temperature intersection_of: characteristic_of ENVO:00002005 ! air relationship: characteristic_of ENVO:00002005 ! air [Term] id: ENVO:09200002 name: environmental system process quality def: "The quality of a environmental system process." [] synonym: "quality of environmental system process" EXACT [] is_a: PATO:0001236 ! process quality intersection_of: PATO:0001236 ! process quality intersection_of: characteristic_of ENVO:02500000 ! environmental system process relationship: characteristic_of ENVO:02500000 ! environmental system process [Term] id: ENVO:09200004 name: porosity of soil def: "The porosity of some soil." [] synonym: "soil porosity" EXACT [] is_a: ENVO:09200009 ! structure of soil is_a: PATO:0000973 ! porosity intersection_of: PATO:0000973 ! porosity intersection_of: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200005 name: mass density of soil def: "The mass density of some soil." [] synonym: "soil mass density" EXACT [] is_a: PATO:0001019 ! mass density intersection_of: PATO:0001019 ! mass density intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200007 name: concentration of nitrate in soil def: "The concentration of a nitrate when measured in soil." [] synonym: "soil nitrate concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:09200008 name: composition of soil def: "The composition of some soil." [] synonym: "soil composition" EXACT [] is_a: ENVO:09200009 ! structure of soil is_a: PATO:0000025 ! composition intersection_of: PATO:0000025 ! composition intersection_of: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200009 name: structure of soil def: "The structure of some soil." [] synonym: "soil structure" EXACT [] is_a: PATO:0000141 ! structure intersection_of: PATO:0000141 ! structure intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200010 name: acidity of soil def: "The acidity of some soil." [] synonym: "soil acidity" EXACT [] synonym: "soil pH" RELATED [] is_a: PATO:0001842 ! acidity intersection_of: PATO:0001842 ! acidity intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200011 name: pressure of air def: "The pressure of some air." [] synonym: "air pressure" EXACT [] is_a: PATO:0001025 ! pressure intersection_of: PATO:0001025 ! pressure intersection_of: characteristic_of ENVO:00002005 ! air relationship: characteristic_of ENVO:00002005 ! air [Term] id: ENVO:09200012 name: temperature of soil def: "The temperature of some soil." [] synonym: "soil temperature" EXACT [] is_a: ENVO:09200000 ! temperature of environmental material intersection_of: PATO:0000146 ! temperature intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200013 name: wetness of soil def: "The wetness of some soil." [] synonym: "soil wetness" EXACT [] is_a: PATO:0001822 ! wetness intersection_of: PATO:0001822 ! wetness intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200014 name: temperature of water def: "The temperature of some water." [] synonym: "water temperature" EXACT [] is_a: ENVO:09200000 ! temperature of environmental material intersection_of: PATO:0000146 ! temperature intersection_of: characteristic_of ENVO:00002006 ! liquid water relationship: characteristic_of ENVO:00002006 ! liquid water [Term] id: ENVO:09200015 name: humidity of soil def: "The humidity of some soil." [] synonym: "soil humidity" EXACT [] is_a: PATO:0015009 ! humidity intersection_of: PATO:0015009 ! humidity intersection_of: characteristic_of ENVO:00001998 ! soil relationship: characteristic_of ENVO:00001998 ! soil [Term] id: ENVO:09200017 name: composition of water def: "The composition of some water." [] synonym: "water composition" EXACT [] is_a: PATO:0000025 ! composition intersection_of: PATO:0000025 ! composition intersection_of: characteristic_of ENVO:00002006 ! liquid water relationship: characteristic_of ENVO:00002006 ! liquid water [Term] id: ENVO:09200020 name: concentration of nitrate in groundwater def: "The concentration of a nitrate when measured in groundwater." [] synonym: "ground water nitrate concentration" EXACT [] is_a: ENVO:3100022 ! concentration of nitrate in liquid water [Term] id: ENVO:09200033 name: pressure of atmospheric water vapour def: "The pressure of some atmospheric water vapour." [] synonym: "atmospheric water vapour pressure" EXACT [] is_a: PATO:0001025 ! pressure intersection_of: PATO:0001025 ! pressure intersection_of: characteristic_of ENVO:01000268 ! atmospheric water vapour relationship: characteristic_of ENVO:01000268 ! atmospheric water vapour [Term] id: ENVO:09200034 name: porosity of snow def: "The porosity of some snow." [] synonym: "snow porosity" EXACT [] is_a: PATO:0000973 ! porosity intersection_of: PATO:0000973 ! porosity intersection_of: characteristic_of ENVO:01000406 ! snow relationship: characteristic_of ENVO:01000406 ! snow [Term] id: ENVO:09200035 name: porosity of water ice def: "The porosity of some water ice." [] synonym: "water ice porosity" EXACT [] is_a: PATO:0000973 ! porosity intersection_of: PATO:0000973 ! porosity intersection_of: characteristic_of ENVO:01000277 ! water ice relationship: characteristic_of ENVO:01000277 ! water ice [Term] id: ENVO:09200036 name: mass density of snow def: "The mass density of some snow." [] synonym: "snow mass density" EXACT [] is_a: PATO:0001019 ! mass density intersection_of: PATO:0001019 ! mass density intersection_of: characteristic_of ENVO:01000406 ! snow relationship: characteristic_of ENVO:01000406 ! snow [Term] id: ENVO:1000745 name: drought def: "A hydrological precipitation process with a reduced rate relative to some historical average, typically resulting in ecosystemic perturbations." [] subset: environmental_hazards is_a: ENVO:01000703 ! hydrological precipitation process property_value: IAO:0000116 "Drought is often defined as a temporal period of below-average precipitation, however, representing it as a temporal entity seems insufficient." xsd:string [Term] id: ENVO:2000000 name: chemical product namespace: ENVO def: "A manufactured product that is some mixture of chemicals created through some chemical engineering process" [https://orcid.org/0000-0002-6601-2165] is_a: ENVO:00003074 ! manufactured product created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T10:32:07Z [Term] id: ENVO:2000001 name: creosote namespace: ENVO def: "The portion of chemical products obtained by the distillation of a tar that remains heavier than water, notably useful for its anti-septic and preservative properties" [https://en.wikipedia.org/wiki/Creosote] xref: https://en.wikipedia.org/wiki/Creosote is_a: ENVO:2000000 ! chemical product created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T10:35:14Z [Term] id: ENVO:2000002 name: industrial wastewate treatment plant namespace: ENVO def: "A wastewater treatment plant that treates industrial wastewater. Industrial wastewater treatment covers the mechanisms and processes used to treat waters that have been contaminated in some way by anthropogenic industrial or commercial activities prior to its release into the environment or its re-use." [https://en.wikipedia.org/wiki/Industrial_wastewater_treatment] is_a: ENVO:00002043 ! wastewater treatment plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T03:16:01Z [Term] id: ENVO:2000003 name: agricultural wastewater treatment plant namespace: ENVO def: "A wastewater treatment plant that treats agriculatural wastewater. Agricultural wastewater treatment relates to the treatment of wastewaters produced in the course of agricultural activities. Agriculture is a highly intensified industry in many parts of the world, producing a range of wastewaters requiring a variety of treatment technologies and management practices." [https://en.wikipedia.org/wiki/Agricultural_wastewater_treatment] is_a: ENVO:00002043 ! wastewater treatment plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T03:17:36Z [Term] id: ENVO:2000004 name: algal bloom namespace: ENVO def: "A feature that arises from a rapid increase or accumulation in the population of algae (typically microscopic) in an aquatic system." [https://en.wikipedia.org/wiki/Algal_bloom] xref: EcoLexicon:algal_bloom xref: https://en.wikipedia.org/wiki/Algal_bloom xref: SWEETRealm:AlgalBloom is_a: ENVO:00000012 ! hydrographic feature created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T04:26:24Z [Term] id: ENVO:2000005 name: freshwater algal bloom namespace: ENVO def: "An algal bloom that is located in freshwater. Freshwater algal blooms are the result of an excess of nutrients, particularly some phosphates." [https://en.wikipedia.org/wiki/Algal_bloom#Freshwater_algal_blooms] subset: envoPolar is_a: ENVO:2000004 ! algal bloom intersection_of: ENVO:2000004 ! algal bloom intersection_of: RO:0001025 ENVO:00000873 ! located in freshwater biome relationship: RO:0001025 ENVO:00000873 ! located in freshwater biome created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2013-04-27T04:28:27Z [Term] id: ENVO:2000012 name: anthropogenic generation of energy def: "The generation of energy for use by humans" [] is_a: ENVO:02500027 ! anthropogenic environmental process intersection_of: ENVO:02500027 ! anthropogenic environmental process intersection_of: ENVO:2000036 ENVO:2000015 ! generates energy relationship: ENVO:2000036 ENVO:2000015 ! generates energy created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:02:04Z [Term] id: ENVO:2000013 name: generation of energy from coal is_a: ENVO:2000012 ! anthropogenic generation of energy intersection_of: ENVO:2000012 ! anthropogenic generation of energy intersection_of: has_input ENVO:02000091 ! coal relationship: has_input ENVO:02000091 ! coal created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:04:34Z [Term] id: ENVO:2000014 name: generation of energy from oil is_a: ENVO:2000012 ! anthropogenic generation of energy intersection_of: ENVO:2000012 ! anthropogenic generation of energy intersection_of: has_input ENVO:00002985 ! oil relationship: has_input ENVO:00002985 ! oil created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:05:18Z [Term] id: ENVO:2000015 name: energy def: "A disposition which is realized during the execution of work, the emission of heat, or the possession of mass." [] comment: Consider replacing with PATO class; note that PATO class is not a disposition. This should likely go into OBO Core and also have a physicist look at it. is_a: BFO:0000016 ! disposition property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:22:18Z [Term] id: ENVO:2000016 name: potential energy def: "Energy possessed by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors." [] is_a: ENVO:2000015 ! energy created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:24:50Z [Term] id: ENVO:2000017 name: kinetic energy def: "Energy which is realised through motion." [] is_a: ENVO:2000015 ! energy property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:25:57Z [Term] id: ENVO:2000018 name: mixed potential and kinetic energy def: "Energy which is the sum of 1) kinetic energy and 2) potential energy." [] is_a: ENVO:2000015 ! energy intersection_of: ENVO:2000015 ! energy intersection_of: has_part ENVO:2000016 ! potential energy intersection_of: has_part ENVO:2000017 ! kinetic energy relationship: has_part ENVO:2000016 ! potential energy relationship: has_part ENVO:2000017 ! kinetic energy property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:26:08Z [Term] id: ENVO:2000025 name: nuclear energy def: "potential energy that binds nucleons to form the atomic nucleus (and nuclear reactions)." [] is_a: ENVO:2000016 ! potential energy created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:28:07Z [Term] id: ENVO:2000030 name: radiant energy def: "Potential energy which is stored in the fields of propagated by electromagnetic radiation." [] is_a: ENVO:2000016 ! potential energy relationship: BFO:0000054 ENVO:01001026 ! realized in electromagnetic radiation created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:29:21Z [Term] id: ENVO:2000032 name: thermal energy def: "Kinetic energy which is realised through the microscopic motion of particles." [] comment: A form of disordered mechanical energy. is_a: ENVO:2000017 ! kinetic energy property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:30:20Z [Term] id: ENVO:2000034 name: geothermal energy def: "Thermal energy which propagates through a solid (typically rocky) astronomical body." [] comment: Often, this term is used specifically for thermal energy spreading from heat sources (e.g. magma chambers, the planetary core) within the Earth. However, it is also used for extraterrestrial bodies. is_a: ENVO:2000032 ! thermal energy created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:47:30Z [Term] id: ENVO:2000035 name: stellar radiation energy is_a: ENVO:2000030 ! radiant energy property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-4366-3088 property_value: http://purl.org/dc/elements/1.1/creator https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:48:18Z [Term] id: ENVO:2000037 name: fossil fuel power plant def: "A power station which burns a fossil fuel such as coal, natural gas, or petroleum to produce electricity." [] is_a: ENVO:00002214 ! power plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:00:37Z [Term] id: ENVO:2000038 name: coal power plant is_a: ENVO:2000037 ! fossil fuel power plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:01:16Z [Term] id: ENVO:2000039 name: gas power station is_a: ENVO:2000037 ! fossil fuel power plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:02:17Z [Term] id: ENVO:2000041 name: solar power station is_a: ENVO:00002214 ! power plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:14:06Z [Term] id: ENVO:2000042 name: ocean thermal power station synonym: "OTEC power plant" EXACT [] synonym: "OTEC power station" EXACT [] is_a: ENVO:00002214 ! power plant created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:15:52Z [Term] id: ENVO:2000045 name: hydrocarbon-based environmental material is_a: ENVO:00010483 ! environmental material intersection_of: ENVO:00010483 ! environmental material intersection_of: RO:0002473 CHEBI:24632 ! composed primarily of hydrocarbon relationship: has_characteristic PATO:0015021 ! combustibility relationship: has_role CHEBI:33292 ! fuel relationship: RO:0002473 CHEBI:24632 ! composed primarily of hydrocarbon created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T21:35:24Z [Term] id: ENVO:2100000 name: anatomical entity environment def: "An environment which is determined by an anatomical entity." [] is_a: ENVO:01000254 ! environmental system intersection_of: ENVO:01000254 ! environmental system intersection_of: RO:0002509 UBERON:0001062 ! determined by part of anatomical entity relationship: part_of ENVO:01001000 ! environmental system determined by an organism relationship: RO:0002509 UBERON:0001062 ! determined by part of anatomical entity [Term] id: ENVO:2100004 name: integumental system environment is_a: ENVO:2100000 ! anatomical entity environment intersection_of: ENVO:2100000 ! anatomical entity environment intersection_of: RO:0002509 UBERON:0002416 ! determined by part of integumental system relationship: RO:0002509 UBERON:0002416 ! determined by part of integumental system [Term] id: ENVO:21001212 name: microwave radiation def: "A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths and frequencies which travel exclusively in a line-of-sight fashion and which may produce molecular rotation and torsion on contact with matter." [https://en.wikipedia.org/wiki/Microwave, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] comment: This definition focuses on the properties of microwaves rather than their wavelength or frequency limits. Considerable ambiguity exists around the wavelength and frequency thresholds of microwaves. The ISO 21348 definition bounds these waves at 1 mm and 15 mm, with frequencies between 100 GHz and 0.225 GHz. xref: NCIT:C16862 is_a: ENVO:01001026 ! electromagnetic radiation property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:21001213 name: radio wave radiation namespace: ENVO def: "A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths ranging from millimetre to kilometer scales." [https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] comment: As with microwaves, considerable variation exists in the delimitation of frequency and wavelength thresholds for radiowaves. The ISO 21348 standard allows a wavelength range of 0.10 mm to 100 m and a frequency range of 300 GHz to 3 MHz. However, much lower thresholds also exist. is_a: ENVO:01001026 ! electromagnetic radiation property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:21001214 name: infrared radiation def: "A radiation process during which electromagnetic waves or their quanta are emitted when molecules change their rotational-vibrational movements, usually at wavelengths between 760 nm and 1 mm." [https://en.wikipedia.org/wiki/Infrared, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] synonym: "infra-red radiation" EXACT [] synonym: "IR radiation" RELATED [] xref: NCIT:C16736 is_a: ENVO:01001026 ! electromagnetic radiation [Term] id: ENVO:21001215 name: visible spectrum radiation namespace: ENVO def: "A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 380 nm and 760 nm." [https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] synonym: "optical radiation" EXACT [] synonym: "visible light" RELATED [NCIT:C17732] xref: NCIT:C17732 is_a: ENVO:01001026 ! electromagnetic radiation [Term] id: ENVO:21001216 name: ultraviolet radiation namespace: ENVO def: "A radiation process during which electromagnetic waves or their quanta are emitted at wavelengths between 10 nm and 400 nm." [https://en.wikipedia.org/wiki/Ultraviolet, https://www.iso.org/obp/ui/#iso\:std\:iso\:21348] subset: environmental_hazards synonym: "UV radiation" EXACT [] is_a: ENVO:01001026 ! electromagnetic radiation property_value: IAO:0000116 "To be expanded to account for subtypes." xsd:string [Term] id: ENVO:21001217 name: X-ray radiation namespace: ENVO def: "A radiation process during which penetrating electromagnetic radiation is emitted by high-energy electrons as they fall into a lower state of energy." [https://en.wikipedia.org/wiki/X-ray] subset: environmental_hazards synonym: "X ray radiation" EXACT [] synonym: "X-ray" RELATED [NCIT:C17262] xref: NCIT:C17262 is_a: ENVO:21001219 ! ionizing radiation property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:21001218 name: gamma-ray radiation namespace: ENVO def: "A radiation process during which penetrating electromagnetic radiation is emitted from the radioactive decay (gamma decay) of atomic nuclei." [https://en.wikipedia.org/wiki/Gamma_ray] subset: environmental_hazards is_a: ENVO:21001219 ! ionizing radiation property_value: IAO:0000114 IAO:0000428 [Term] id: ENVO:21001219 name: ionizing radiation namespace: ENVO def: "A radiation process during which electromagnetic waves or their quanta are emitted with sufficient energy to disrupt molecular bonds or alter the electron number of atoms." [https://en.wikipedia.org/wiki/Electromagnetic_radiation] synonym: "ionising radiation" EXACT [] xref: NCIT:C17052 is_a: ENVO:01001026 ! electromagnetic radiation [Term] id: ENVO:3100001 name: concentration of Adenosine 5-triphosphate in liquid water def: "The concentration of Adenosine 5-triphosphate when measured in liquid water." [] synonym: "liquid water Adenosine 5-triphosphate concentration" EXACT [] is_a: ENVO:3100026 ! concentration of phosphate in liquid water [Term] id: ENVO:3100006 name: concentration of beta-carotene in liquid water def: "The concentration of beta-carotene when measured in liquid water." [] synonym: "liquid water beta-carotene concentration" EXACT [] is_a: CDNO:0200198 ! concentration of β-carotene in material entity is_a: ENVO:3100007 ! concentration of carotene in liquid water [Term] id: ENVO:3100007 name: concentration of carotene in liquid water def: "The concentration of carotene when measured in liquid water." [] synonym: "liquid water carotene concentration" EXACT [] is_a: CDNO:0200523 ! concentration of carotene in material entity [Term] id: ENVO:3100011 name: concentration of dioxygen in liquid water def: "The concentration of dioxygen when measured in liquid water." [] synonym: "liquid water dioxygen concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100016 name: concentration of hydrogen peroxide in liquid water def: "The concentration of hydrogen peroxide when measured in liquid water." [] synonym: "liquid water hydrogen peroxide concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100017 name: concentration of hydrogen sulfide in liquid water def: "The concentration of hydrogen sulfide when measured in liquid water." [] synonym: "liquid water hydrogen sulfide concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100020 name: concentration of methane in liquid water def: "The concentration of methane when measured in liquid water." [] synonym: "liquid water methane concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100022 name: concentration of nitrate in liquid water def: "The concentration of nitrate when measured in liquid water." [] synonym: "liquid water nitrate concentration" EXACT [] is_a: ENVO:03000123 ! concentration of nitrate and nitrite in liquid water [Term] id: ENVO:3100023 name: concentration of nitrite in liquid water def: "The concentration of nitrite when measured in liquid water." [] synonym: "liquid water nitrite concentration" EXACT [] is_a: ENVO:03000123 ! concentration of nitrate and nitrite in liquid water [Term] id: ENVO:3100024 name: concentration of nitrous oxide in liquid water def: "The concentration of nitrous oxide when measured in liquid water." [] synonym: "liquid water nitrous oxide concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100026 name: concentration of phosphate in liquid water def: "The concentration of phosphate when measured in liquid water." [] synonym: "liquid water phosphate concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100030 name: acidity of water def: "The acidity of some water." [] synonym: "water acidity" EXACT [] is_a: PATO:0001842 ! acidity intersection_of: PATO:0001842 ! acidity intersection_of: characteristic_of ENVO:00002006 ! liquid water relationship: characteristic_of ENVO:00002006 ! liquid water [Term] id: ENVO:3100033 name: pressure of water def: "The pressure of some water." [] synonym: "water pressure" EXACT [] is_a: PATO:0001025 ! pressure intersection_of: PATO:0001025 ! pressure intersection_of: characteristic_of ENVO:00002006 ! liquid water relationship: characteristic_of ENVO:00002006 ! liquid water [Term] id: ENVO:3100037 name: concentration of nitrate in sea water def: "The concentration of nitrate when measured in sea water." [] synonym: "sea water nitrate concentration" EXACT [] is_a: ENVO:3100022 ! concentration of nitrate in liquid water [Term] id: ENVO:3100038 name: concentration of phosphate in sea water def: "The concentration of phosphate when measured in sea water." [] synonym: "sea water phosphate concentration" EXACT [] is_a: ENVO:3100026 ! concentration of phosphate in liquid water [Term] id: ENVO:3100041 name: concentration of nitrite in sea water def: "The concentration of nitrite when measured in sea water." [] synonym: "sea water nitrite concentration" EXACT [] is_a: ENVO:3100023 ! concentration of nitrite in liquid water [Term] id: ENVO:3100043 name: concentration of carbon atom in sea water def: "The concentration of carbon atom when measured in sea water." [] synonym: "sea water carbon atom concentration" EXACT [] is_a: ENVO:09000009 ! concentration of carbon atom in water [Term] id: ENVO:3100044 name: concentration of chloroflurocarbon in sea water def: "The concentration of chloroflurocarbon when measured in sea water." [] synonym: "sea water chloroflurocarbon concentration" EXACT [] is_a: CDNO:0200567 ! concentration of organochlorine compound in material entity [Term] id: ENVO:3100048 name: concentration of sulfur hexafluoride in sea water def: "The concentration of sulfur hexafluoride when measured in sea water." [] synonym: "sea water sulfur hexafluoride concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3100049 name: concentration of calcium carbonate in sea water def: "The concentration of calcium carbonate when measured in sea water." [] synonym: "sea water calcium carbonate concentration" EXACT [] is_a: CDNO:0200547 ! concentration of calcium carbonate in material entity [Term] id: ENVO:3100060 name: concentration of dioxygen in sea water def: "The concentration of dioxygen when measured in sea water." [] synonym: "sea water dioxygen concentration" EXACT [] is_a: ENVO:3100011 ! concentration of dioxygen in liquid water [Term] id: ENVO:3200059 name: concentration of urea in liquid water def: "The concentration of urea when measured in liquid water." [] synonym: "liquid water urea concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200060 name: concentration of oxygen in soil def: "The concentration of oxygen when measured in soil." [] synonym: "soil oxygen concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200061 name: concentration of manganese molecular entity in soil def: "The concentration of manganese molecular entity when measured in soil." [] synonym: "soil manganese molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200062 name: concentration of iron molecular entity in soil def: "The concentration of iron molecular entity when measured in soil." [] synonym: "soil iron molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200063 name: concentration of aluminium molecular entity in soil def: "The concentration of aluminium molecular entity when measured in soil." [] synonym: "soil aluminium molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200064 name: concentration of magnesium molecular entity in soil def: "The concentration of magnesium molecular entity when measured in soil." [] synonym: "soil magnesium molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200065 name: concentration of sodium molecular entity in soil def: "The concentration of sodium molecular entity when measured in soil." [] synonym: "soil sodium molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200067 name: concentration of organophosphorus compound in soil def: "The concentration of organophosphorus compound when measured in soil." [] synonym: "soil organophosphorus compound concentration" EXACT [] is_a: ENVO:3200068 ! concentration of phosphorus molecular entity in soil is_a: ENVO:3200071 ! concentration of organic molecular entity in soil [Term] id: ENVO:3200068 name: concentration of phosphorus molecular entity in soil def: "The concentration of phosphorus molecular entity when measured in soil." [] synonym: "soil phosphorus molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ENVO:3200070 name: concentration of calcium carbonate in soil def: "The concentration of calcium carbonate when measured in soil." [] synonym: "soil calcium carbonate concentration" EXACT [] is_a: CDNO:0200547 ! concentration of calcium carbonate in material entity is_a: ENVO:09000027 ! concentration of salt in soil is_a: ENVO:3200071 ! concentration of organic molecular entity in soil [Term] id: ENVO:3200071 name: concentration of organic molecular entity in soil def: "The concentration of organic molecular entity when measured in soil." [] synonym: "soil organic molecular entity concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: ExO:0000000 name: exposure stressor namespace: exposure_stressor def: "An agent, stimulus, activity, or event that causes stress or tension on an organism and interacts with an exposure_receptor during an exposure event." [CTD:curators] is_a: BFO:0000040 ! material entity relationship: interacts_with ExO:0000001 ! exposure_receptor relationship: interacts_with_an_exposure_receptor_via ExO:0000002 ! exposure event creation_date: 2010-09-21T02:43:50Z [Term] id: ExO:0000001 name: exposure_receptor namespace: exposure_receptor def: "An entity (e.g., a human, human population, or a human organ) that interacts with an exposure stressor during an exposure event." [CTD:curators] synonym: "exposure recipient" EXACT [] synonym: "exposure target" EXACT [] is_a: BFO:0000040 ! material entity relationship: interacts_with ExO:0000000 ! exposure stressor created_by: cmattin creation_date: 2010-09-21T02:45:36Z [Term] id: ExO:0000002 name: exposure event namespace: exposure_event def: "An interaction between an exposure stressor and an exposure_receptor." [CTD:curators] is_a: BFO:0000015 ! process relationship: has_part ExO:0000000 ! exposure stressor relationship: has_part ExO:0000001 ! exposure_receptor relationship: interacts_with_an_exposure_receptor_via ExO:0000000 ! exposure stressor relationship: interacts_with_an_exposure_stressor_via ExO:0000001 ! exposure_receptor created_by: cmattin creation_date: 2010-09-21T02:47:00Z [Term] id: ExO:0000055 name: route namespace: exposure_event def: "The way people or other living organisms come into contact with a stressor." [CTD:curators] relationship: part_of ExO:0000002 ! exposure event created_by: cmattin creation_date: 2011-01-10T09:38:37Z [Term] id: ExO:0000056 name: ingestion namespace: route def: "The process of taking a material (e.g., stressor) into the mouth or body." [CTD:curators] is_a: ExO:0000055 ! route created_by: cmattin creation_date: 2011-01-10T09:38:47Z [Term] id: ExO:0000057 name: inhalation namespace: route def: "The process of drawing in by breathing." [CTD:curators] is_a: ExO:0000055 ! route created_by: cmattin creation_date: 2011-01-10T09:38:59Z [Term] id: ExO:0000060 name: injection namespace: route def: "A method of putting liquid into the body with a syringe and a hollow needle that punctures the skin." [GOC:hjd] is_a: ExO:0000055 ! route created_by: cmattin creation_date: 2011-01-10T09:39:37Z [Term] id: ExO:0000159 name: maternal namespace: route def: "A route by which an exposure to a pregnant female causes an outcome in the fetus that might be observed long after birth" [] is_a: ExO:0000055 ! route created_by: cgrondin creation_date: 2020-08-17T03:47:29Z [Term] id: FOODON:00000071 name: food cutting process def: "A process of cutting food into smaller pieces, chunks or slices." [] is_a: FOODON:03460130 ! physical/chemical modification process property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001002 name: food product def: "Food material for humans and animals which is processed with the intention that it be consumable as a whole or added to other food products." [] comment: The FoodOn "food product" class is provided as a branch under which new food product categories and food products themselves can be placed. Here classes are provided to differentiate a food product by its food composition, processing and/or consumption characteristics. This avoids brand name products but it may include generic food dish categories. It has a much greater depth and polyhierarchy than other agency product type schemes have in an effort to group related products together. The upper level basis of this tree originated in the environment ontology (ENVO) and from the US Code of Federal Regulations. is_a: FOODON:00002403 ! food material property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000118 "Foodon product type" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Food xsd:anyURI [Term] id: FOODON:00001006 name: mammalian meat food product def: "A food product made of meat, the skeletal muscle and associated fat, and other edible tissues such as organs, livers, skin, brains, bone marrow, kidneys, or lungs, of mammals." [] xref: SUBSET_SIREN:F17332 is_a: FOODON:00001092 ! vertebrate animal food product relationship: RO:0001000 FOODON:03411134 ! derives from mammal relationship: RO:0002350 FOODON:03400150 ! member of meat or meat product (from mammal) (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 http://en.wikipedia.org/wiki/Meat [Term] id: FOODON:00001007 name: sausage food product def: "A processed meat food product that is made from a sausage." [] is_a: FOODON:00001010 ! processed meat food product property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: http://purl.org/dc/elements/1.1/date 2022-10-28T11:02:42Z xsd:dateTime [Term] id: FOODON:00001009 name: hot dog def: "A hot dog is a moist sausage of soft, even texture and flavor, often made from advanced meat recovery or meat slurry. Most types are fully cooked, cured or smoked. It is often placed hot in a special purpose soft, sliced hot dog bun." [] synonym: "frankfurter" NARROW [] synonym: "hotdog" EXACT [] is_a: FOODON:00001224 ! sausage (cooked) property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/f/fb/Hotdog_-_Evan_Swigart.jpg/640px-Hotdog_-_Evan_Swigart.jpg property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 Hot:dog property_value: seeAlso FOODON:03307053 [Term] id: FOODON:00001010 name: processed meat food product is_a: FOODON:00001006 ! mammalian meat food product is_a: FOODON:03311737 ! processed food product intersection_of: FOODON:00001006 ! mammalian meat food product intersection_of: FOODON:03311737 ! processed food product intersection_of: has_part FOODON:03420125 ! skeletal meat part, without bone or shell relationship: has_part FOODON:03420125 ! skeletal meat part, without bone or shell [Term] id: FOODON:00001013 name: cheese food product def: "Cheese is a food derived from milk that is produced in a wide range of flavors, textures, and forms by coagulation of the milk protein casein." [] synonym: "cheese" EXACT [] xref: https://en.wikipedia.org/wiki/Cheese xref: SUBSET_SIREN:F1076 is_a: FOODON:00001256 ! dairy food product relationship: RO:0002350 FOODON:03400115 ! member of cheese or cheese product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: seeAlso https://www.asmscience.org/content/book/10.1128/9781555818593.chap3 property_value: seeAlso https://www.asmscience.org/content/journal/microbiolspec/10.1128/microbiolspec.CM-0003-2012 [Term] id: FOODON:00001014 name: yogurt food product def: "A dairy product produced by bacterial fermentation of milk." [] comment: The bacteria used to make yogurt are known as yogurt cultures. The fermentation of lactose by these bacteria produces lactic acid, which acts on milk protein to give yogurt its texture and characteristic tart flavor. synonym: "yoghourt" EXACT [] synonym: "yoghurt" EXACT [] synonym: "yougert" EXACT [] is_a: FOODON:00001053 ! fermented dairy food product property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/2/23/Cacik-1.jpg/549px-Cacik-1.jpg xsd:anyURI property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Yogurt xsd:anyURI [Term] id: FOODON:00001015 name: plant food product def: "This class includes food products which are derived from or produced by a plant." [] is_a: FOODON:00002381 ! food product by organism intersection_of: FOODON:00002381 ! food product by organism intersection_of: RO:0001000 PO:0000003 ! derives from whole plant relationship: RO:0001000 PO:0000003 ! derives from whole plant property_value: IAO:0000114 IAO:0000428 [Term] id: FOODON:00001016 name: cabbage food product def: "Cabbage or headed cabbage (comprising several cultivars of Brassica oleracea) is a leafy green or purple biennial plant, grown as an annual vegetable crop for its dense-leaved heads." [] xref: https://en.wikipedia.org/wiki/Cabbage is_a: FOODON:00001171 ! cruciferous inflorescence food product is_a: FOODON:00003341 ! brassica food product relationship: RO:0001000 NCBITaxon:3712 ! derives from Brassica oleracea property_value: IAO:0000114 IAO:0000428 [Term] id: FOODON:00001038 name: pork meat food product def: "A food product made from domestic pig meat (Sus domesticus or Sus scrofa scrofa)." [] synonym: "pork" EXACT [] is_a: FOODON:00002663 ! pork food product intersection_of: FOODON:00002663 ! pork food product intersection_of: RO:0001000 FOODON:03302735 ! derives from pork (raw) relationship: RO:0001000 FOODON:03302735 ! derives from pork (raw) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Pork xsd:anyURI [Term] id: FOODON:00001039 name: cured meat food product def: "A meat that is preserved by the addition of a combination of salt, sugar, nitrates or nitrite and or is smoked." [http://en.wikipedia.org/wiki/Cured_meat] is_a: FOODON:00001010 ! processed meat food product relationship: RO:0002350 FOODON:03400279 ! member of cured meat (us cfr) [Term] id: FOODON:00001040 name: chicken meat food product is_a: FOODON:00001131 ! poultry meat food product [Term] id: FOODON:00001041 name: beef food product def: "Meat from bovines, especially domestic cattle (cows)." [http://en.wikipedia.org/wiki/Beef] is_a: FOODON:00001134 ! bovine meat food product intersection_of: FOODON:00001134 ! bovine meat food product intersection_of: RO:0001000 NCBITaxon:9913 ! derives from Bos taurus relationship: RO:0001000 NCBITaxon:9913 ! derives from Bos taurus [Term] id: FOODON:00001045 name: ice cream food product def: "A frozen dessert usually made from dairy products, such as milk and cream, and often combined with fruits or other ingredients and flavours. Most varieties contain sugar, although some are made with other sweeteners. In some cases, artificial flavourings and colourings are used in addition to (or in replacement of) the natural ingredients. This mixture is stirred slowly while cooling to prevent large ice crystals from forming; the result is a smoothly textured ice cream." [Wikipedia:Ice_cream] synonym: "ice cream" EXACT [] synonym: "ice-cream" EXACT [] is_a: FOODON:00001149 ! confectionery food product is_a: FOODON:00001257 ! milk or milk based food product is_a: FOODON:00001878 ! frozen dairy dessert [Term] id: FOODON:00001046 name: animal seafood product def: "A seafood product is a vertebrate or invertibrate organism from an aquatic environment." [] is_a: FOODON:00004242 ! animal food product relationship: RO:0002350 FOODON:03400267 ! member of seafood or seafood product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "Some of the subclasses are currently freshwater organisms." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001053 name: fermented dairy food product is_a: FOODON:00001256 ! dairy food product is_a: FOODON:00001258 ! food (fermented) intersection_of: FOODON:00001256 ! dairy food product intersection_of: FOODON:00001258 ! food (fermented) [Term] id: FOODON:00001054 name: fermented fish or seafood food product is_a: FOODON:00001055 ! sea water fish food product is_a: FOODON:00001258 ! food (fermented) [Term] id: FOODON:00001055 name: sea water fish food product is_a: FOODON:00001046 ! animal seafood product is_a: FOODON:03315173 ! fish product (unspecified species) [Term] id: FOODON:00001056 name: flour food product def: "A fine powder made from cereals or other starchy food sources." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=H0152 is_a: FOODON:00001093 ! cereal grain food product property_value: hasSynonym "flour added" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 Wikipedia:Flour xsd:anyURI [Term] id: FOODON:00001057 name: plant fruit food product def: "A food product derived from plant fruit." [] is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 FOODON:03411140 ! derives from fruit-producing plant relationship: RO:0001000 FOODON:03411140 ! derives from fruit-producing plant relationship: RO:0002350 FOODON:03400143 ! member of fruit or fruit product (us cfr) [Term] id: FOODON:00001061 name: bacon food product def: "Any of certain cuts of meat taken from the sides, belly or back of a pig that may be cured and/or smoked." [] is_a: FOODON:00001241 ! processed pork meat food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Bacon xsd:anyURI [Term] id: FOODON:00001069 name: fermented fruit food product is_a: FOODON:00001258 ! food (fermented) intersection_of: FOODON:00001258 ! food (fermented) intersection_of: RO:0001000 FOODON:03315615 ! derives from fruit food product relationship: RO:0001000 FOODON:03315615 ! derives from fruit food product [Term] id: FOODON:00001070 name: miso food product def: "A food produced by fermenting rice, barley and/or soybeans, with salt and the mold koji-kin (Aspergillus oryzae)." [] comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'fermentation/modification process, multiple component' (http://purl.obolibrary.org/obo/FOODON_03460128)\n* formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104) subset: subset_siren xref: SUBSET_SIREN:F1971 is_a: FOODON:00001078 ! fermented soybean food product relationship: RO:0002350 FOODON:03400133 ! member of flavoring or seasoning (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 Wikipedia:Miso [Term] id: FOODON:00001078 name: fermented soybean food product def: "A food product having fermented soyabeans as a defining ingredient" [] is_a: FOODON:00002266 ! soybean food product is_a: FOODON:03310006 ! fermented bean product property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00001083 name: sugar condiment is_a: FOODON:00001133 ! condiment food product intersection_of: FOODON:00001133 ! condiment food product intersection_of: RO:0001000 FOODON:03411012 ! derives from sugar-producing plant relationship: RO:0001000 FOODON:03411012 ! derives from sugar-producing plant [Term] id: FOODON:00001087 name: vegetable oil food product def: "A lipid material derived from plants. Physically, oils are liquid at room temperature." [] is_a: FOODON:03310387 ! oil is_a: FOODON:03460263 ! vegetable fat or oil property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Vegetable_fats_and_oils [Term] id: FOODON:00001088 name: flaxseed oil def: "An oil used as a nutritional supplement and is a traditional European ethnic food, highly regarded for its nutty flavor." [] comment: Food-grade flaxseed oil is cold-pressed, obtained without solvent extraction, in the absence of oxygen, and marketed as edible flaxseed oil.[wikipedia] synonym: "flax oil" EXACT [] synonym: "flax seed oil" EXACT [] synonym: "linseed oil" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=H0852 is_a: FOODON:00001859 ! flaxseed food product is_a: FOODON:03420307 ! seed oil property_value: http://purl.org/dc/elements/1.1/date 2019-09-19T21:51:42Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 "Nutritional_supplement_and_food" property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:00001089 name: corn flour food product is_a: FOODON:00001056 ! flour food product is_a: FOODON:00001142 ! maize (corn) food product intersection_of: FOODON:00001056 ! flour food product intersection_of: RO:0001000 FOODON:03411232 ! derives from Zia mays plant [Term] id: FOODON:00001092 name: vertebrate animal food product def: "A food product which is derived from or produced by an animal that has a vertibrae." [] is_a: FOODON:00004242 ! animal food product intersection_of: FOODON:00004242 ! animal food product intersection_of: RO:0001000 FOODON:03411297 ! derives from vertebrate animal relationship: RO:0001000 FOODON:03411297 ! derives from vertebrate animal property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001093 name: cereal grain food product is_a: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: RO:0001000 FOODON:03411324 ! derives from grain plant relationship: RO:0001000 FOODON:03411324 ! derives from grain plant [Term] id: FOODON:00001094 name: fermented beverage comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n subset: subset_siren synonym: "alcoholic beverage" EXACT [] xref: SUBSET_SIREN:F5644 is_a: FOODON:00001258 ! food (fermented) is_a: FOODON:03301977 ! beverage food product intersection_of: FOODON:00001258 ! food (fermented) intersection_of: FOODON:03301977 ! beverage food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-11T07:25:19Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:00001105 name: avian egg food product def: "A food product made from an avian egg." [] is_a: FOODON:00001251 ! avian food product is_a: FOODON:00001274 ! egg food product intersection_of: FOODON:00001251 ! avian food product intersection_of: FOODON:00001274 ! egg food product intersection_of: RO:0001000 NCBITaxon:8782 ! derives from Aves relationship: RO:0001000 NCBITaxon:8782 ! derives from Aves relationship: RO:0002350 FOODON:03400261 ! member of egg or egg product (us cfr) property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00001107 name: bovine dairy food product is_a: FOODON:00001256 ! dairy food product [Term] id: FOODON:00001118 name: cattle dairy food product is_a: FOODON:00001107 ! bovine dairy food product relationship: RO:0001000 FOODON:03411201 ! derives from dairy cow [Term] id: FOODON:00001126 name: bovine cheese food product is_a: FOODON:00001013 ! cheese food product [Term] id: FOODON:00001127 name: cow milk cheese is_a: FOODON:00001126 ! bovine cheese food product is_a: FOODON:00001771 ! cow milk based food product relationship: RO:0002350 FOODON:03400185 ! member of uncured cheese (us cfr) [Term] id: FOODON:00001131 name: poultry meat food product def: "A food product made from domesticated bird meat." [] is_a: FOODON:00001283 ! poultry food product intersection_of: FOODON:00001283 ! poultry food product intersection_of: RO:0001000 FOODON:03411563 ! derives from poultry or game bird relationship: RO:0001000 FOODON:03411563 ! derives from poultry or game bird property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Poultry [Term] id: FOODON:00001132 name: swine food product def: "Suidae is a family of artiodactyl mammals which are commonly called pigs, hogs or boars. In addition to numerous fossil species, 17 extant species are currently recognized (or 18 counting domestic pigs and wild boars separately), classified into between four and eight genera. The family includes the domestic pig, Sus scrofa domesticus or Sus domesticus, in addition to numerous species of wild pig, such as babirusas and warthogs. All suids, or swine, are native to the Old World, ranging from Asia to Europe and Africa." [] is_a: FOODON:00001006 ! mammalian meat food product intersection_of: FOODON:00001006 ! mammalian meat food product intersection_of: RO:0001000 FOODON:03411136 ! derives from swine relationship: RO:0001000 FOODON:03411136 ! derives from swine property_value: hasSynonym "porcine meat" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Suidae xsd:anyURI [Term] id: FOODON:00001133 name: condiment food product def: "A relish, sauce, or seasoning added to food to impart a particular flavour or to complement the dish." [] synonym: "condiment" EXACT [] is_a: FOODON:00001714 ! food product component relationship: RO:0002350 FOODON:03400179 ! member of condiment or relish (us cfr) property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Condiment xsd:anyURI [Term] id: FOODON:00001134 name: bovine meat food product is_a: FOODON:00001006 ! mammalian meat food product intersection_of: FOODON:00001006 ! mammalian meat food product intersection_of: RO:0001000 FOODON:03414374 ! derives from bovine relationship: RO:0001000 FOODON:03414374 ! derives from bovine [Term] id: FOODON:00001138 name: tea based beverage product def: "A beverage product derived from leaves of the tea plant (Camellia sinensis)." [] comment: "While fermentation is also referred to in the production of brewed teas, this is inaccurate. Some herbal teas on the market today include probiotic cultures alongside tea leaves to maintain gut health but the tea itself hasn't been fermented. Most dried teas however don't use live cultures at all during production. Instead, harvested tea leaves undergo a natural chemical process known as oxidation, which also changes the color, flavor and level of health benefits in the resulting brew." [https://eatcultured.com/blogs/our-awesome-blog/fermented-tea] is_a: FOODON:00001255 ! nonfermented plant derived beverage product is_a: FOODON:03316079 ! herbal infusion intersection_of: FOODON:00002275 ! steeped beverage product intersection_of: RO:0001000 NCBITaxon:4442 ! derives from Camellia sinensis relationship: RO:0001000 NCBITaxon:4442 ! derives from Camellia sinensis property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Tea [Term] id: FOODON:00001139 name: coffee based beverage product synonym: "coffee and coffee products" EXACT [] is_a: FOODON:00001255 ! nonfermented plant derived beverage product is_a: FOODON:00002275 ! steeped beverage product [Term] id: FOODON:00001141 name: wheat food product is_a: FOODON:00001093 ! cereal grain food product relationship: RO:0001000 FOODON:03411312 ! derives from wheat plant [Term] id: FOODON:00001142 name: maize (corn) food product def: "A food product deriving primarily from corn (maize)." [] synonym: "maize food product" EXACT [] is_a: FOODON:00001015 ! plant food product intersection_of: FOODON:00001015 ! plant food product intersection_of: RO:0001000 FOODON:03411232 ! derives from Zia mays plant relationship: RO:0001000 FOODON:03411232 ! derives from Zia mays plant property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Maize [Term] id: FOODON:00001143 name: fungus food product def: "A food product consisting of an edible fungi or mushroom or yeast." [] is_a: FOODON:00002381 ! food product by organism intersection_of: FOODON:00002381 ! food product by organism intersection_of: RO:0001000 FOODON:03411261 ! derives from fungus relationship: RO:0001000 FOODON:03411261 ! derives from fungus property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "In_food" property_value: seeAlso http://www.asmscience.org/content/journal/microbiolspec/10.1128/microbiolspec.FUNK-0030-2016 xsd:anyURI [Term] id: FOODON:00001144 name: yeast food product is_a: FOODON:00001143 ! fungus food product intersection_of: FOODON:00001143 ! fungus food product intersection_of: RO:0001000 FOODON:03411345 ! derives from yeast relationship: RO:0001000 FOODON:03411345 ! derives from yeast [Term] id: FOODON:00001146 name: solanaceous root food product synonym: "tuber" EXACT [] is_a: FOODON:00001147 ! plant root food product is_a: FOODON:00001165 ! solanaceous food product property_value: seeAlso https://en.wikipedia.org/wiki/Tuber [Term] id: FOODON:00001147 name: plant root food product def: "A food product derived from or produced by a plant root." [] is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001148 name: potato food product def: "A potato food product is any product derived from potatoes." [] is_a: FOODON:00001146 ! solanaceous root food product intersection_of: FOODON:00001146 ! solanaceous root food product intersection_of: RO:0001000 FOODON:03315354 ! derives from potato (whole) relationship: RO:0001000 FOODON:03315354 ! derives from potato (whole) relationship: RO:0002350 FOODON:03400152 ! member of vegetable or vegetable product (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001149 name: confectionery food product def: "Food items that are rich in sugar, any one or type of which is called a confection. Modern usage may include substances rich in artificial sweeteners as well." [] is_a: FOODON:00002373 ! food product by meal type property_value: IAO:0000119 http://en.wikipedia.org/wiki/Confectionery [Term] id: FOODON:00001150 name: cucurbit fruit food product is_a: FOODON:00001057 ! plant fruit food product [Term] id: FOODON:00001151 name: citrus fruit food product def: "A citrus fruit is botanically classified as a type of berry called a hesperidium that has a thick, leathery rind, with numerous oil glands, and a large flesh portion composed of several wedge-shaped sections. Unlike pome fruit, such as the apple, the citrus fruit is derived from a superior ovary, an ovary completely separate from the calyx." [] synonym: "citrus" BROAD [] is_a: FOODON:00001057 ! plant fruit food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/hesperidium xsd:anyURI [Term] id: FOODON:00001152 name: melon fruit food product def: "The fleshy fruit (false berry) of a plant of the family Cucurbitaceae." [] is_a: FOODON:00002029 ! melon food product [Term] id: FOODON:00001153 name: muskmelon (Cucumis melo) fruit food product is_a: FOODON:00001152 ! melon fruit food product [Term] id: FOODON:00001154 name: citrullus lanatus fruit food product def: "Citrullus lanatus is a plant species in the family Cucurbitaceae, a vine-like (scrambler and trailer) flowering plant originally from sub-Saharan Africa. It is cultivated for its fruit. The subdivision of this species into two varieties, watermelons (Citrullus lanatus (Thunb.) var. lanatus) and citron melons (Citrullus lanatus var. citroides (L. H. Bailey) Mansf.)" [] is_a: FOODON:00001152 ! melon fruit food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001158 name: pomaceous fruit food product synonym: "pomes" EXACT [] is_a: FOODON:00001057 ! plant fruit food product intersection_of: FOODON:00001057 ! plant fruit food product intersection_of: RO:0001000 PO:0030110 ! derives from pome fruit relationship: RO:0001000 PO:0030110 ! derives from pome fruit [Term] id: FOODON:00001163 name: solanaceous fruit food product is_a: FOODON:00001057 ! plant fruit food product is_a: FOODON:00001165 ! solanaceous food product [Term] id: FOODON:00001164 name: tomato food product def: "A food product deriving from one or more tomatoes." [] is_a: FOODON:00001163 ! solanaceous fruit food product is_a: FOODON:00002141 ! plant fruit as vegetable food product relationship: RO:0001000 FOODON:03301453 ! derives from tomato (whole) [Term] id: FOODON:00001165 name: solanaceous food product is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001166 name: plant inflorescence food product is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001169 name: cruciferous food product is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001170 name: grape berry food product is_a: FOODON:00001640 ! berry food product intersection_of: FOODON:00001057 ! plant fruit food product intersection_of: RO:0001000 FOODON:03411329 ! derives from grape plant relationship: RO:0001000 FOODON:03411329 ! derives from grape plant [Term] id: FOODON:00001171 name: cruciferous inflorescence food product is_a: FOODON:00001166 ! plant inflorescence food product is_a: FOODON:00001169 ! cruciferous food product [Term] id: FOODON:00001172 name: nut food product xref: SUBSET_SIREN:F16972 is_a: FOODON:00001262 ! botanical fruit food product is_a: FOODON:03460177 ! plant seed or nut food product relationship: RO:0001000 FOODON:03411213 ! derives from nut producing plant relationship: RO:0002350 FOODON:03400260 ! member of nut or nut product (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000116 "The default nut product is a whole, raw nut - meaning that the kernel is whole, and moderately or significantly dried, but not baked. Minimal references to nuts often leave ambiguous whether the shell is on or off. \"I ate a peanut\" doesn't clarify whether I ate a shell-off nut or whether I did the shelling." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001173 name: plant seed food product is_a: FOODON:03460177 ! plant seed or nut food product intersection_of: FOODON:00001015 ! plant food product intersection_of: RO:0001000 PO:0009010 ! derives from seed relationship: RO:0001000 PO:0009010 ! derives from seed [Term] id: FOODON:00001174 name: plant lipid food product is_a: FOODON:00001015 ! plant food product is_a: FOODON:00002664 ! lipid food product [Term] id: FOODON:00001175 name: plant stem food product is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001176 name: invertebrate animal food product is_a: FOODON:00004242 ! animal food product intersection_of: FOODON:00004242 ! animal food product intersection_of: RO:0001000 FOODON:00002452 ! derives from invertebrate animal relationship: RO:0001000 FOODON:00002452 ! derives from invertebrate animal [Term] id: FOODON:00001177 name: insect food product is_a: FOODON:00001176 ! invertebrate animal food product intersection_of: FOODON:00001176 ! invertebrate animal food product intersection_of: RO:0001000 FOODON:03411220 ! derives from insect relationship: RO:0001000 FOODON:03411220 ! derives from insect [Term] id: FOODON:00001178 name: honey food product is_a: FOODON:00001218 ! bee food product is_a: FOODON:00002300 ! sweetener food product intersection_of: FOODON:00001218 ! bee food product intersection_of: FOODON:00002300 ! sweetener food product relationship: RO:0002350 FOODON:03400118 ! member of nutritive sweetener (us cfr) [Term] id: FOODON:00001180 name: prepared food product def: "Food product that is 1) ready or nearly ready for consumption; 2) usually a composite of several foods or ingredients that often belong to distinct product types; 3) usually formulated, mixed and partially or fully cooked." [] synonym: "prepared" BROAD [] is_a: FOODON:00001002 ! food product relationship: RO:0002350 FOODON:03400172 ! member of prepared food product (us cfr) property_value: IAO:0000119 langual:thesaurus.asp?termid=A0172 [Term] id: FOODON:00001181 name: food (cooked) synonym: "cooked" EXACT [] is_a: FOODON:00002645 ! food product by process relationship: output_of FOODON:03450002 ! food cooking property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001183 name: bread food product is_a: FOODON:00002456 ! food (baked) is_a: FOODON:00003395 ! multi-component wheat food product relationship: RO:0002350 FOODON:03400178 ! member of bread (us cfr) [Term] id: FOODON:00001185 name: rice food product is_a: FOODON:00001093 ! cereal grain food product intersection_of: FOODON:00001093 ! cereal grain food product intersection_of: RO:0001000 FOODON:03411322 ! derives from rice plant relationship: RO:0001000 FOODON:03411322 ! derives from rice plant relationship: RO:0002350 FOODON:03400125 ! member of grain or starch product (us cfr) [Term] id: FOODON:00001189 name: oat food product synonym: "common oat food product" EXACT [] is_a: FOODON:00001093 ! cereal grain food product intersection_of: FOODON:00001093 ! cereal grain food product intersection_of: RO:0001000 NCBITaxon:4498 ! derives from Avena sativa relationship: RO:0001000 NCBITaxon:4498 ! derives from Avena sativa relationship: RO:0002350 FOODON:03400125 ! member of grain or starch product (us cfr) [Term] id: FOODON:00001194 name: dry pea food product def: "A product of the dry seeds of plants of the genus Pisum." [] is_a: FOODON:00001209 ! pulse food product is_a: FOODON:00001635 ! bean food product is_a: FOODON:00002813 ! pea food product intersection_of: FOODON:00001635 ! bean food product intersection_of: RO:0001000 FOODON:03411338 ! derives from pea plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Legume xsd:anyURI [Term] id: FOODON:00001209 name: pulse food product def: "PULSES are annual leguminous crops yielding from one to 12 grains or seeds of variable size, shape and colour within a pod. They are used for both food and feed. The term \"pulses\" is limited to crops harvested solely for dry grain, thereby excludingcrops harvested green for food (green peas, green beans, etc.) which are classified as vegetable crops. Also excluded are those crops used mainly for oil extraction (e.g.soybeand and groundnuts) and leguminous crops (e.g. seeds of clover and alfalfa) that are used exclusively for sowing purposes." [] synonym: "pulse" EXACT [] synonym: "pulses" EXACT [] is_a: FOODON:00001264 ! legume food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://www.fao.org/WAICENT/faoinfo/economic/faodef/fdef04e.htm#4.02 xsd:anyURI property_value: seeAlso https://en.wikipedia.org/wiki/Legume#Classification_of_pulses xsd:string [Term] id: FOODON:00001210 name: wheat flour food product is_a: FOODON:00001056 ! flour food product is_a: FOODON:00001141 ! wheat food product [Term] id: FOODON:00001211 name: pasta food product def: "A food made from an unleavened dough of wheat or buckwheat flour and water, sometimes with other ingredients such as eggs and vegetable extracts." [http://en.wikipedia.org/wiki/Pasta] is_a: FOODON:00001141 ! wheat food product [Term] id: FOODON:00001214 name: candy food product def: "A confection made from a concentrated solution of sugar in water, to which flavorings and colorants are added." [] is_a: FOODON:00001149 ! confectionery food product relationship: FOODON:00002420 FOODON:03420108 ! has ingredient sugar relationship: RO:0002350 FOODON:03400204 ! member of candy (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Candy [Term] id: FOODON:00001215 name: cacao food product def: "A food product derived from Theobroma cacao." [] synonym: "cocoa and cocoa products" EXACT [] is_a: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: RO:0001000 FOODON:03411318 ! derives from cacao plant relationship: RO:0001000 FOODON:03411318 ! derives from cacao plant relationship: RO:0002350 FOODON:03400272 ! member of cacao or chocolate product (us cfr) [Term] id: FOODON:00001216 name: cream food product def: "A dairy product that is composed of the higher-butterfat layer skimmed from the top of milk before homogenization." [http://en.wikipedia.org/wiki/Cream] xref: LANGUAL:C0195 is_a: FOODON:00001257 ! milk or milk based food product property_value: hasSynonym "sweet cream" xsd:string property_value: IAO:0000114 IAO:0000428 [Term] id: FOODON:00001218 name: bee food product is_a: FOODON:00001177 ! insect food product [Term] id: FOODON:00001224 name: sausage (cooked) def: "A sausage made with fresh meats, and then fully cooked." [] is_a: FOODON:00001181 ! food (cooked) is_a: FOODON:03315904 ! sausage (whole) intersection_of: FOODON:03315904 ! sausage (whole) intersection_of: output_of FOODON:03450002 ! food cooking property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Sausage [Term] id: FOODON:00001226 name: fruit preserve or jam food product def: "A fruit product that has been prepared and canned or bottled for long term storage. The preparation of fruit preserves traditionally involves the use of pectin as a gelling agent, although sugar or honey may be used as well." [http://en.wikipedia.org/wiki/Fruit_preserves] is_a: FOODON:00001057 ! plant fruit food product relationship: RO:0002350 FOODON:03400251 ! member of fruit preserve or jam (us cfr) [Term] id: FOODON:00001227 name: jam food product def: "A product made with whole fruit, cut into pieces or crushed. The fruit is heated with water and sugar to activate the pectin in the fruit. The mixture is then put into containers." [http://en.wikipedia.org/wiki/Fruit_preserves#Jam] is_a: FOODON:00001226 ! fruit preserve or jam food product [Term] id: FOODON:00001231 name: creamy salad dressing def: "A salad dressing that is usually mayonnaise-based, but which may also contain yogurt, sour cream, or creme fraiche." [http://en.wikipedia.org/wiki/Salad_dressing#Dressings] is_a: FOODON:00001290 ! salad dressing [Term] id: FOODON:00001234 name: mayonnaise food product def: "A stable emulsion of oil, and vinegar or lemon juice, with many options for embellishment with other herbs and spices. Egg yolk is the traditional emulsifier." [http://en.wikipedia.org/wiki/Mayonnaise] is_a: FOODON:00001231 ! creamy salad dressing relationship: FOODON:00001301 FOODON:03306409 ! has food substance analog mayonnaise analog [Term] id: FOODON:00001241 name: processed pork meat food product is_a: FOODON:00001010 ! processed meat food product is_a: FOODON:00001038 ! pork meat food product intersection_of: FOODON:00001010 ! processed meat food product intersection_of: FOODON:00001038 ! pork meat food product [Term] id: FOODON:00001242 name: spice or herb def: "A vegetable product such as leaves, flowers, seeds and roots that is rich in essential oils and aromatic principles. Used mainly a a condiment." [] synonym: "herb and spice" EXACT [] synonym: "herb or spice" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=H0151 is_a: FOODON:00001015 ! plant food product is_a: FOODON:00001133 ! condiment food product relationship: RO:0002350 FOODON:03400113 ! member of spice or herb (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://www.fao.org/WAICENT/faoinfo/economic/faodef/fdef10e.htm#1.01 xsd:anyURI [Term] id: FOODON:00001243 name: animal lipid food product is_a: FOODON:00002664 ! lipid food product is_a: FOODON:00004242 ! animal food product [Term] id: FOODON:00001244 name: coffee beverage def: "A brewed drink prepared from roasted seeds, commonly called coffee beans, of the coffee plant." [] is_a: FOODON:00001139 ! coffee based beverage product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Coffee [Term] id: FOODON:00001245 name: tea beverage (liquid) def: "A beverage prepared from the cured leaves of Camellia sinensis by combination with hot or boiling water." [] is_a: FOODON:00001138 ! tea based beverage product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://en.wikipedia.org/wiki/Tea [Term] id: FOODON:00001248 name: fish food product def: "A fish food product includes products made from any fish species (aquatic vertebrate with gills and fins)." [] is_a: FOODON:00001092 ! vertebrate animal food product intersection_of: FOODON:00001092 ! vertebrate animal food product intersection_of: RO:0001000 FOODON:03411222 ! derives from fish relationship: RO:0001000 FOODON:03411222 ! derives from fish relationship: RO:0002350 FOODON:03400267 ! member of seafood or seafood product (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Fish [Term] id: FOODON:00001251 name: avian food product is_a: FOODON:00001092 ! vertebrate animal food product [Term] id: FOODON:00001253 name: plant derived beverage is_a: FOODON:00001015 ! plant food product is_a: FOODON:03301977 ! beverage food product [Term] id: FOODON:00001254 name: plant derived fermented beverage is_a: FOODON:00001094 ! fermented beverage is_a: FOODON:00001253 ! plant derived beverage intersection_of: FOODON:00001094 ! fermented beverage intersection_of: FOODON:00001253 ! plant derived beverage [Term] id: FOODON:00001255 name: nonfermented plant derived beverage product is_a: FOODON:00001253 ! plant derived beverage [Term] id: FOODON:00001256 name: dairy food product def: "A dairy food product has mammilian milk or a milk component as an ingredient." [] synonym: "dairy product" EXACT [] synonym: "milk product" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=H0242 is_a: FOODON:00001092 ! vertebrate animal food product relationship: RO:0001000 UBERON:0001913 ! derives from milk relationship: RO:0002350 FOODON:03400148 ! member of milk or milk product (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001257 name: milk or milk based food product is_a: FOODON:00001256 ! dairy food product property_value: seeAlso https://en.wikipedia.org/wiki/Fat_content_of_milk#/media/File:Milkproducts.svg [Term] id: FOODON:00001258 name: food (fermented) is_a: FOODON:00002501 ! multi-component food product is_a: FOODON:00002645 ! food product by process relationship: output_of FOODON:00001304 ! food fermentation property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "Are all fermented foods considered preserved to some extent?" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001261 name: vegetable food product def: "Any plant food product which, typically, is constituted by intact parts from one or more annual plants cultivated as field and garden crops in the open and under glass, and used almost exclusively for food." [] is_a: FOODON:00001015 ! plant food product relationship: RO:0001000 FOODON:03411579 ! derives from vegetable-producing plant relationship: RO:0002350 FOODON:03400152 ! member of vegetable or vegetable product (us cfr) property_value: IAO:0000119 "7.01" [Term] id: FOODON:00001262 name: botanical fruit food product def: "Mature ovary of a plant, with a fleshy part of the carpel that develops with the seed to attract animals for aid in dispersal. Botanically, nuts are considered fruits." [http://eurovoc.europa.eu/drupal/?q=request&uri=http\://eurovoc.europa.eu/1115, http://oek1.fao.org/skosmos/agrovoc/en/page/c_3119, http://www.fao.org/pollination/resources/glossary/en/, https://en.wikipedia.org/wiki/Fruit] is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00001264 name: legume food product def: "A one-celled fruit (pod) usually dehiscing down both sutures, and having the seed attached along a ventral suture. (Roubik 1995)" [] synonym: "http://purl.obolibrary.org/obo/FOODON_03411254" NARROW [] synonym: "http://purl.obolibrary.org/obo/FOODON_03411338" NARROW [] synonym: "legume" EXACT [] is_a: FOODON:00001262 ! botanical fruit food product property_value: IAO:0000119 http://www.fao.org/pollination/resources/glossary/en/ xsd:anyURI [Term] id: FOODON:00001274 name: egg food product def: "A food consisting of a round or oval body laid by the female of many animals, consisting of an ovum surrounded by layers of membranes and an outer casing, which acts to nourish and protect a developing embryo and its nutrient reserves." [Wikipedia:Egg_%28food%29] comment: Regarding American regulatory aspects of egg products, see this summary:\nhttps://www.politico.com/agenda/story/2016/03/crazy-us-chicken-egg-regulation-graphic-000077 is_a: FOODON:00001092 ! vertebrate animal food product relationship: RO:0001000 FOODON:03420194 ! derives from egg or egg component [Term] id: FOODON:00001275 name: hen egg food product def: "A hen egg food product is any food product consisting mainly of hen eggs or derivatives." [] xref: SUBSET_SIREN:F1074 is_a: FOODON:00001105 ! avian egg food product intersection_of: FOODON:00001105 ! avian egg food product intersection_of: RO:0001000 FOODON:03304616 ! derives from hen egg (whole, shell on, raw) relationship: RO:0001000 FOODON:03304616 ! derives from hen egg (whole, shell on, raw) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Egg_as_food xsd:anyURI [Term] id: FOODON:00001278 name: cake food product def: "A food that is usually sweet and often baked. Cakes normally combine some kind of flour, a sweetening agent (commonly sugar), a binding agent (generally egg, though gluten or starch are often used by lacto-vegetarians and vegans), fats (usually butter, shortening, or margarine, although a fruit puree such as applesauce is sometimes substituted to avoid using fat), a liquid (milk, water or fruit juice), flavors and some form of leavening agent (such as yeast or baking powder), though many cakes lack these ingredients and instead rely on air bubbles in the dough to expand and cause the cake to rise. Cake is often frosted with buttercream or marzipan, and finished with piped borders and crystallized fruit." [Wikipedia:Cake] is_a: FOODON:00001626 ! bakery food product [Term] id: FOODON:00001282 name: ground beef food product def: "A ground beef product is made of beef that has been finely chopped with a knife or a meat grinder (American English) or mincing machine (British English). Ground beef is used in many recipes including hamburgers and spaghetti Bolognese." [] synonym: "beef mince" EXACT [] synonym: "ground beef" EXACT [] synonym: "hamburger meat" EXACT [] synonym: "minced beef" EXACT [] is_a: FOODON:00001041 ! beef food product property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/d/d1/Hackfleisch-1.jpg/631px-Hackfleisch-1.jpg property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 Ground:beef [Term] id: FOODON:00001283 name: poultry food product def: "A food product from a category of domestic birds kept for meat, eggs, and feathers including fowl such as chickens, turkeys, and waterfowls such as domestic ducks and geese and other meat birds such as pigeons and doves and games birds including pheasants." [] is_a: FOODON:00001251 ! avian food product relationship: RO:0002350 FOODON:03400273 ! member of poultry or poultry product (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 Wikipedia:Poultry [Term] id: FOODON:00001286 name: turkey meat food product def: "A turkey meat food product is any food product made predominantly of turkey parts." [] is_a: FOODON:00001131 ! poultry meat food product intersection_of: FOODON:00001131 ! poultry meat food product intersection_of: RO:0001000 FOODON:03411236 ! derives from turkey (bird) relationship: RO:0001000 FOODON:03411236 ! derives from turkey (bird) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001288 name: cantaloupe fruit food product def: "Cantaloupe (also known as muskmelon (India and the United States), mushmelon, rockmelon (in Australian states and in New Zealand), sweet melon, spanspek (South Africa), or capuchin (Scotland) refers to a variety of the Cucumis melo species in the Cucurbitaceae family." [] synonym: "cantaloup" EXACT [] synonym: "muskmelon" EXACT [] is_a: FOODON:00001153 ! muskmelon (Cucumis melo) fruit food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001290 name: salad dressing def: "A sauce for a salad." [] is_a: FOODON:00001133 ! condiment food product is_a: FOODON:00002146 ! plant product dressing relationship: RO:0002350 FOODON:03400292 ! member of standardized dressing (us cfr) property_value: IAO:0000119 http://en.wikipedia.org/wiki/Salad_dressing#Dressings xsd:anyURI [Term] id: FOODON:00001293 name: shellfish food product is_a: FOODON:00001046 ! animal seafood product is_a: FOODON:00001176 ! invertebrate animal food product intersection_of: FOODON:00001046 ! animal seafood product intersection_of: FOODON:00001176 ! invertebrate animal food product intersection_of: RO:0001000 FOODON:03411433 ! derives from shellfish relationship: RO:0001000 FOODON:03411433 ! derives from shellfish [Term] id: FOODON:00001304 name: food fermentation def: "A fermentation process in which either carbohydrates, proteins or fats are modified through microbial, enzymatic and/or other biological process." [] is_a: FOODON:03460119 ! microbial/enzymatic modification process is_a: FOODON:03470107 ! food preservation process relationship: OBI:0000299 FOODON:00001258 ! has_specified_output food (fermented) property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001314 name: fermented meat product def: "Fermented meat product is any product made primarily of meat subjected to a fermentation process." [] is_a: FOODON:00001258 ! food (fermented) intersection_of: FOODON:00001258 ! food (fermented) intersection_of: RO:0001000 FOODON:00001006 ! derives from mammalian meat food product relationship: RO:0001000 FOODON:00001006 ! derives from mammalian meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001330 name: tuaw jaew def: "Fermented vegetable" [] is_a: FOODON:00001078 ! fermented soybean food product intersection_of: FOODON:00001078 ! fermented soybean food product intersection_of: RO:0001000 FOODON:00002265 ! derives from soybean seed (field) food product relationship: RO:0001000 FOODON:00002265 ! derives from soybean seed (field) food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 http://orcid.org/0000-0002-1816-4260 xsd:anyURI [Term] id: FOODON:00001568 name: food trimming def: "Food trimmings are the parts removed from the culinary trimming of unwanted or inedible parts (i.e. sinews, skin, fat etc.) from meat, fish poultry or vegetables. Trimmings are used for making stocks, soups and sauces." [] is_a: FOODON:00001714 ! food product component intersection_of: FOODON:00001714 ! food product component intersection_of: has_part FOODON:03420116 ! part of organism intersection_of: output_of FOODON:00000071 ! food cutting process relationship: has_part FOODON:03420116 ! part of organism relationship: output_of FOODON:00000071 ! food cutting process property_value: hasSynonym "trim" xsd:string property_value: hasSynonym "trimmings" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Gregory Harhay" xsd:string property_value: IAO:0000119 http://en.foodlexicon.org/p0000380.php xsd:string [Term] id: FOODON:00001578 name: albacore food product is_a: FOODON:00001248 ! fish food product intersection_of: FOODON:00001248 ! fish food product intersection_of: RO:0001000 NCBITaxon:8235 ! derives from Thunnus alalunga relationship: RO:0001000 NCBITaxon:8235 ! derives from Thunnus alalunga [Term] id: FOODON:00001579 name: alcoholic beverage def: "An alcoholic drink (or alcoholic beverage) is a drink that contains ethanol, a type of alcohol produced by fermentation of grains, fruits, or other sources of sugar." [] xref: SUBSET_SIREN:F10770 is_a: FOODON:00001094 ! fermented beverage property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.m.wikipedia.org/wiki/Alcoholic_drink xsd:anyURI [Term] id: FOODON:00001587 name: almond food product is_a: FOODON:00001172 ! nut food product intersection_of: FOODON:00001172 ! nut food product intersection_of: RO:0001000 FOODON:00003523 ! derives from almond (whole) relationship: RO:0001000 FOODON:00003523 ! derives from almond (whole) [Term] id: FOODON:00001595 name: animal based refined or partially-refined food product is_a: FOODON:00002196 ! refined or partially-refined food product is_a: FOODON:00004242 ! animal food product [Term] id: FOODON:00001604 name: animal product sandwich is_a: FOODON:03301906 ! sandwich relationship: RO:0001000 FOODON:03411134 ! derives from mammal [Term] id: FOODON:00001605 name: animal product sausage is_a: FOODON:00001007 ! sausage food product [Term] id: FOODON:00001610 name: apple condiment is_a: FOODON:00001133 ! condiment food product intersection_of: FOODON:00001133 ! condiment food product intersection_of: RO:0001000 FOODON:03310788 ! derives from apple (whole or parts) relationship: RO:0001000 FOODON:03310788 ! derives from apple (whole or parts) [Term] id: FOODON:00001611 name: apple food product is_a: FOODON:00001158 ! pomaceous fruit food product intersection_of: FOODON:00001158 ! pomaceous fruit food product intersection_of: RO:0001000 FOODON:00002473 ! derives from apple (whole) relationship: RO:0001000 FOODON:00002473 ! derives from apple (whole) [Term] id: FOODON:00001612 name: apple preserve or jam food product is_a: FOODON:00001226 ! fruit preserve or jam food product is_a: FOODON:00001611 ! apple food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00001611 ! apple food product [Term] id: FOODON:00001615 name: apricot food product def: "A food product deriving from one or more apricots." [] is_a: FOODON:00002277 ! stone fruit food product relationship: RO:0001000 FOODON:00003476 ! derives from apricot (whole) [Term] id: FOODON:00001616 name: apricot preserve or jam food product is_a: FOODON:00001226 ! fruit preserve or jam food product is_a: FOODON:00001615 ! apricot food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00001615 ! apricot food product [Term] id: FOODON:00001625 name: avocado food product def: "A food product deriving from one or more avocados." [] is_a: FOODON:00002141 ! plant fruit as vegetable food product is_a: FOODON:00002277 ! stone fruit food product relationship: RO:0001000 FOODON:00003600 ! derives from avocado (whole) [Term] id: FOODON:00001626 name: bakery food product is_a: FOODON:00002645 ! food product by process relationship: RO:0002350 FOODON:03400191 ! member of bakery product (us cfr) [Term] id: FOODON:00001628 name: banana food product def: "A plant fruit food product derived from a banana tree (genus Musa)." [] is_a: FOODON:00002689 ! tropical fruit food product relationship: RO:0001000 NCBITaxon:4640 ! derives from Musa [Term] id: FOODON:00001635 name: bean food product def: "A bean vegetable food product is a human or animal food product - such as a snap, shell or dry bean product - derived from the fruit pod, seed, or leaf of one of several genera of the flowering plant family Fabaceae." [] is_a: FOODON:00001264 ! legume food product is_a: FOODON:00002153 ! plant seed vegetable food product property_value: IAO:0000116 "Note, this was previously labelled \"Bean (vegetable) food product\". We have been listing both dry and freshly harvested moist beans here, so have broadened the name scope." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso http://purl.obolibrary.org/obo/FOODON_00002428 xsd:anyURI property_value: seeAlso http://www.fao.org/es/faodef/fdef04e.htm#4.02 xsd:anyURI property_value: seeAlso https://oconto.extension.wisc.edu/files/2011/02/The-Importance-of-Dry-Beans-in-Your-Diet.pdf xsd:string [Term] id: FOODON:00001638 name: beet food product is_a: FOODON:00002150 ! plant root vegetable food product intersection_of: FOODON:00002150 ! plant root vegetable food product intersection_of: RO:0001000 FOODON:03411309 ! derives from beet plant relationship: RO:0001000 FOODON:03411309 ! derives from beet plant [Term] id: FOODON:00001640 name: berry food product is_a: FOODON:00001057 ! plant fruit food product intersection_of: FOODON:00001057 ! plant fruit food product intersection_of: RO:0001000 FOODON:03411231 ! derives from berry plant relationship: RO:0001000 FOODON:03411231 ! derives from berry plant [Term] id: FOODON:00001656 name: blueberry food product is_a: FOODON:00001640 ! berry food product intersection_of: FOODON:00001640 ! berry food product intersection_of: RO:0001000 FOODON:03411491 ! derives from blueberry plant relationship: RO:0001000 FOODON:03411491 ! derives from blueberry plant [Term] id: FOODON:00001657 name: blueberry preserve or jam food product is_a: FOODON:00001226 ! fruit preserve or jam food product is_a: FOODON:00001656 ! blueberry food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00001656 ! blueberry food product [Term] id: FOODON:00001659 name: bluefish food product is_a: FOODON:00001248 ! fish food product [Term] id: FOODON:00001666 name: broccoli food product is_a: FOODON:00002142 ! plant head vegetable food product is_a: FOODON:00002156 ! plant stem or spear vegetable food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00002142 ! plant head vegetable food product intersection_of: FOODON:00002156 ! plant stem or spear vegetable food product intersection_of: RO:0001000 FOODON:03411443 ! derives from broccoli plant relationship: RO:0001000 FOODON:03411443 ! derives from broccoli plant [Term] id: FOODON:00001670 name: brussels sprout food product is_a: FOODON:00002142 ! plant head vegetable food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00002142 ! plant head vegetable food product intersection_of: RO:0001000 FOODON:03411611 ! derives from brussels sprout plant relationship: RO:0001000 FOODON:03411611 ! derives from brussels sprout plant [Term] id: FOODON:00001673 name: butter product analog is_a: FOODON:00001801 ! dairy product analog [Term] id: FOODON:00001675 name: cabbage juice food product is_a: FOODON:00001016 ! cabbage food product is_a: FOODON:03301444 ! vegetable juice food product intersection_of: FOODON:00001016 ! cabbage food product intersection_of: FOODON:03301444 ! vegetable juice food product [Term] id: FOODON:00001677 name: cabbage head food product def: "A cabbage vegetable food product is a food product derived from the head or leaf portion of a cabbage plant." [] is_a: FOODON:00001016 ! cabbage food product is_a: FOODON:00002142 ! plant head vegetable food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-27T13:30:10Z xsd:dateTimeStamp property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/6/6f/Cabbage_and_cross_section_on_white.jpg/640px-Cabbage_and_cross_section_on_white.jpg xsd:anyURI property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001686 name: carrot juice food product is_a: FOODON:00001687 ! carrot food product is_a: FOODON:03301444 ! vegetable juice food product intersection_of: FOODON:00001687 ! carrot food product intersection_of: FOODON:03301444 ! vegetable juice food product [Term] id: FOODON:00001687 name: carrot food product is_a: FOODON:00002150 ! plant root vegetable food product [Term] id: FOODON:00001688 name: cashew nut food product is_a: FOODON:00001172 ! nut food product intersection_of: FOODON:00001172 ! nut food product intersection_of: RO:0001000 FOODON:03301357 ! derives from cashew nut (whole, raw) relationship: RO:0001000 FOODON:03301357 ! derives from cashew nut (whole, raw) [Term] id: FOODON:00001696 name: cattle cured meat food product is_a: FOODON:00001039 ! cured meat food product is_a: FOODON:00001041 ! beef food product intersection_of: FOODON:00001039 ! cured meat food product intersection_of: FOODON:00001041 ! beef food product [Term] id: FOODON:00001699 name: cattle sandwich is_a: FOODON:00001604 ! animal product sandwich relationship: RO:0001000 NCBITaxon:9913 ! derives from Bos taurus [Term] id: FOODON:00001700 name: cattle sausage food product is_a: FOODON:00001041 ! beef food product is_a: FOODON:03310675 ! luncheon meat intersection_of: FOODON:00001605 ! animal product sausage intersection_of: RO:0001000 NCBITaxon:9913 ! derives from Bos taurus property_value: IAO:0000119 "A cattle sausage food product is derived from cattle meat" xsd:string [Term] id: FOODON:00001703 name: cauliflower food product def: "A food product that derives from a cauliflower plant." [] is_a: FOODON:00002140 ! plant floret vegetable food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00003341 ! brassica food product intersection_of: RO:0001000 NCBITaxon:3715 ! derives from Brassica oleracea var. botrytis relationship: RO:0001000 NCBITaxon:3715 ! derives from Brassica oleracea var. botrytis [Term] id: FOODON:00001709 name: cereal food product def: "A cereal is any grass cultivated for the edible components of its grain composed of the endosperm, germ, and bran" [] subset: subset_siren synonym: "cereal product" EXACT [] xref: SUBSET_SIREN:F11705 is_a: FOODON:00001093 ! cereal grain food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001712 name: cheese product analog is_a: FOODON:00001801 ! dairy product analog relationship: FOODON:00001301 FOODON:00001013 ! has food substance analog cheese food product [Term] id: FOODON:00001714 name: food product component def: "A food product which normally exists as an ingredient to another food product, rather than eaten on its own, and is more complex than a chemical food component." [] is_a: FOODON:00001002 ! food product [Term] id: FOODON:00001733 name: chocolate candy food product is_a: FOODON:00001214 ! candy food product [Term] id: FOODON:00001734 name: chocolate product analog is_a: FOODON:00001871 ! food product analog [Term] id: FOODON:00001742 name: citrus preserve or jam food product is_a: FOODON:00001151 ! citrus fruit food product is_a: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00001151 ! citrus fruit food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product relationship: RO:0001000 FOODON:03411139 ! derives from citrus family [Term] id: FOODON:00001748 name: coconut beverage is_a: FOODON:03301444 ! vegetable juice food product is_a: FOODON:03316908 ! coconut food product intersection_of: FOODON:00001253 ! plant derived beverage intersection_of: FOODON:03316908 ! coconut food product [Term] id: FOODON:00001750 name: cod food product is_a: FOODON:00001248 ! fish food product intersection_of: FOODON:00001248 ! fish food product intersection_of: RO:0001000 FOODON:03411423 ! derives from cod relationship: RO:0001000 FOODON:03411423 ! derives from cod [Term] id: FOODON:00001755 name: collard food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00003341 ! brassica food product intersection_of: RO:0001000 FOODON:03411385 ! derives from collard plant relationship: RO:0001000 FOODON:03411385 ! derives from collard plant [Term] id: FOODON:00001757 name: common bean food product is_a: FOODON:00001635 ! bean food product intersection_of: FOODON:00001635 ! bean food product intersection_of: RO:0001000 FOODON:03411999 ! derives from common bean plant relationship: RO:0001000 FOODON:03411999 ! derives from common bean plant [Term] id: FOODON:00001759 name: common oat cereal food product is_a: FOODON:00001189 ! oat food product is_a: FOODON:00001709 ! cereal food product intersection_of: FOODON:00001709 ! cereal food product intersection_of: RO:0001000 NCBITaxon:4498 ! derives from Avena sativa [Term] id: FOODON:00001762 name: cookie food product is_a: FOODON:00001626 ! bakery food product [Term] id: FOODON:00001765 name: vegetable corn food product is_a: FOODON:00001093 ! cereal grain food product is_a: FOODON:00001142 ! maize (corn) food product is_a: FOODON:00002153 ! plant seed vegetable food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 NCBITaxon:381124 ! derives from Zea mays subsp. mays relationship: RO:0001000 NCBITaxon:381124 ! derives from Zea mays subsp. mays [Term] id: FOODON:00001771 name: cow milk based food product is_a: FOODON:00001118 ! cattle dairy food product is_a: FOODON:00001257 ! milk or milk based food product intersection_of: FOODON:00001118 ! cattle dairy food product intersection_of: RO:0001000 FOODON:03307455 ! derives from cow milk (raw) relationship: RO:0001000 FOODON:03307455 ! derives from cow milk (raw) [Term] id: FOODON:00001772 name: cow milk butter food product is_a: FOODON:00001771 ! cow milk based food product [Term] id: FOODON:00001775 name: cow milk cream food product is_a: FOODON:00001216 ! cream food product is_a: FOODON:00001771 ! cow milk based food product [Term] id: FOODON:00001792 name: crustacean food product is_a: FOODON:00001293 ! shellfish food product intersection_of: FOODON:00001293 ! shellfish food product intersection_of: RO:0001000 FOODON:03411374 ! derives from crustacean relationship: RO:0001000 FOODON:03411374 ! derives from crustacean [Term] id: FOODON:00001800 name: dairy dessert food product is_a: FOODON:00001256 ! dairy food product is_a: FOODON:03303220 ! dessert food relationship: RO:0001000 FOODON:03411201 ! derives from dairy cow [Term] id: FOODON:00001801 name: dairy product analog xref: SUBSET_SIREN:F1442 is_a: FOODON:00001871 ! food product analog [Term] id: FOODON:00001809 name: dietary or therapeutic formulation food product comment: Damion Dooley's note: This category was created to organize SIREN inspired food products. It will probably get merged with the upper level 'dietary supplement' food product type items. is_a: FOODON:00002147 ! food product by consumer group property_value: IAO:0000114 IAO:0000123 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001811 name: dill food product synonym: "dill" EXACT [] is_a: FOODON:00001242 ! spice or herb intersection_of: FOODON:00001242 ! spice or herb intersection_of: RO:0001000 NCBITaxon:40922 ! derives from Anethum graveolens relationship: RO:0001000 NCBITaxon:40922 ! derives from Anethum graveolens [Term] id: FOODON:00001821 name: doughnut food product is_a: FOODON:00002347 ! wheat based bakery food product [Term] id: FOODON:00001825 name: durum wheat product catgeory is_a: FOODON:00001947 ! hard wheat food product intersection_of: FOODON:00001947 ! hard wheat food product intersection_of: RO:0001000 NCBITaxon:4567 ! derives from Triticum turgidum subsp. durum relationship: RO:0001000 NCBITaxon:4567 ! derives from Triticum turgidum subsp. durum [Term] id: FOODON:00001829 name: egg product analog synonym: "egg substitute" EXACT [] is_a: FOODON:00001871 ! food product analog relationship: FOODON:00001301 FOODON:00001274 ! has food substance analog egg food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001830 name: eggplant food product def: "A food product deriving from one or more eggplants." [] is_a: FOODON:00002141 ! plant fruit as vegetable food product relationship: RO:0001000 FOODON:00003618 ! derives from eggplant (whole) [Term] id: FOODON:00001838 name: fermented cereal beverage is_a: FOODON:00001254 ! plant derived fermented beverage intersection_of: FOODON:00001254 ! plant derived fermented beverage intersection_of: RO:0001000 FOODON:03411324 ! derives from grain plant relationship: RO:0001000 FOODON:03411324 ! derives from grain plant [Term] id: FOODON:00001855 name: fish refined food product is_a: FOODON:00001595 ! animal based refined or partially-refined food product [Term] id: FOODON:00001857 name: food flavoring or seasoning product is_a: FOODON:00001714 ! food product component relationship: RO:0002350 FOODON:03400133 ! member of flavoring or seasoning (us cfr) [Term] id: FOODON:00001859 name: flaxseed food product synonym: "linseed food product" EXACT [] is_a: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: RO:0001000 NCBITaxon:4006 ! derives from Linum usitatissimum relationship: RO:0001000 NCBITaxon:4006 ! derives from Linum usitatissimum [Term] id: FOODON:00001860 name: flax vegetable food product is_a: FOODON:00001859 ! flaxseed food product is_a: FOODON:00002153 ! plant seed vegetable food product intersection_of: FOODON:00002153 ! plant seed vegetable food product intersection_of: RO:0001000 NCBITaxon:4006 ! derives from Linum usitatissimum [Term] id: FOODON:00001867 name: food dressing product is_a: FOODON:00001714 ! food product component [Term] id: FOODON:00001868 name: food filling product is_a: FOODON:00001714 ! food product component property_value: hasSynonym "stuffing" xsd:string [Term] id: FOODON:00001871 name: food product analog is_a: FOODON:00001002 ! food product [Term] id: FOODON:00001872 name: food product type (to be processed) def: "This is a working folder that holds LanguaL SIREN database product types that need to be reviewed for placement within the food product hierarchy." [] is_a: FOODON:00001002 ! food product property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00001874 name: food supplement food product is_a: FOODON:00001809 ! dietary or therapeutic formulation food product [Term] id: FOODON:00001878 name: frozen dairy dessert is_a: FOODON:00001800 ! dairy dessert food product is_a: FOODON:00001879 ! frozen dairy food product intersection_of: FOODON:00001800 ! dairy dessert food product intersection_of: FOODON:00001879 ! frozen dairy food product [Term] id: FOODON:00001879 name: frozen dairy food product is_a: FOODON:00001256 ! dairy food product [Term] id: FOODON:00001881 name: frozen yogurt food product is_a: FOODON:00001878 ! frozen dairy dessert [Term] id: FOODON:00001882 name: fruit based alcoholic beverage is_a: FOODON:00001579 ! alcoholic beverage [Term] id: FOODON:00001888 name: fruit jelly food product is_a: FOODON:00001057 ! plant fruit food product [Term] id: FOODON:00001901 name: ginger food product synonym: "ginger" EXACT [] is_a: FOODON:00001242 ! spice or herb intersection_of: FOODON:00001242 ! spice or herb intersection_of: RO:0001000 FOODON:03309840 ! derives from ginger root (whole, raw) relationship: RO:0001000 FOODON:03309840 ! derives from ginger root (whole, raw) [Term] id: FOODON:00001905 name: ginseng plant food product is_a: FOODON:00001015 ! plant food product intersection_of: FOODON:00001015 ! plant food product intersection_of: RO:0001000 FOODON:03411673 ! derives from ginseng plant relationship: RO:0001000 FOODON:03411673 ! derives from ginseng plant [Term] id: FOODON:00001916 name: grain based alcoholic beverage is_a: FOODON:00001882 ! fruit based alcoholic beverage intersection_of: FOODON:00001579 ! alcoholic beverage intersection_of: RO:0001000 FOODON:03411324 ! derives from grain plant relationship: RO:0001000 FOODON:03411324 ! derives from grain plant [Term] id: FOODON:00001917 name: grain based bakery food product is_a: FOODON:00001093 ! cereal grain food product is_a: FOODON:00002151 ! plant seed based bakery food product intersection_of: FOODON:00002151 ! plant seed based bakery food product intersection_of: RO:0001000 FOODON:03411324 ! derives from grain plant [Term] id: FOODON:00001929 name: grapefruit food product is_a: FOODON:00001151 ! citrus fruit food product intersection_of: FOODON:00001151 ! citrus fruit food product intersection_of: RO:0001000 FOODON:03301702 ! derives from grapefruit (whole, raw) relationship: RO:0001000 FOODON:03301702 ! derives from grapefruit (whole, raw) [Term] id: FOODON:00001931 name: gravy or sauce is_a: FOODON:00001714 ! food product component relationship: RO:0002350 FOODON:03400286 ! member of gravy or sauce (us cfr) [Term] id: FOODON:00001934 name: green bean food product is_a: FOODON:00001757 ! common bean food product intersection_of: FOODON:00001757 ! common bean food product intersection_of: RO:0001000 FOODON:03411371 ! derives from green bean plant relationship: RO:0001000 FOODON:03411371 ! derives from green bean plant [Term] id: FOODON:00001935 name: green bell pepper food product is_a: FOODON:00003013 ! bell pepper food product intersection_of: FOODON:00003013 ! bell pepper food product intersection_of: RO:0001000 FOODON:03412629 ! derives from green bell pepper plant relationship: RO:0001000 FOODON:03412629 ! derives from green bell pepper plant [Term] id: FOODON:00001941 name: haddock food product is_a: FOODON:00001248 ! fish food product [Term] id: FOODON:00001947 name: hard wheat food product is_a: FOODON:00001141 ! wheat food product intersection_of: FOODON:00001141 ! wheat food product intersection_of: RO:0001000 FOODON:03411418 ! derives from hard wheat plant relationship: RO:0001000 FOODON:03411418 ! derives from hard wheat plant [Term] id: FOODON:00001949 name: hemp food product is_a: FOODON:00001093 ! cereal grain food product intersection_of: FOODON:00001093 ! cereal grain food product intersection_of: RO:0001000 NCBITaxon:3483 ! derives from Cannabis sativa relationship: RO:0001000 NCBITaxon:3483 ! derives from Cannabis sativa [Term] id: FOODON:00001955 name: hot pepper spice food product is_a: FOODON:00001242 ! spice or herb is_a: FOODON:00001956 ! hot pepper food product [Term] id: FOODON:00001956 name: hot pepper food product synonym: "red pepper" EXACT [] is_a: FOODON:00002111 ! pepper vegetable food product intersection_of: FOODON:00002111 ! pepper vegetable food product intersection_of: RO:0001000 FOODON:03411643 ! derives from hot pepper plant relationship: RO:0001000 FOODON:03411643 ! derives from hot pepper plant [Term] id: FOODON:00001958 name: human milk based food product is_a: FOODON:00001257 ! milk or milk based food product intersection_of: FOODON:00001257 ! milk or milk based food product intersection_of: RO:0001000 FOODON:03303918 ! derives from human milk (raw) relationship: RO:0001000 FOODON:03303918 ! derives from human milk (raw) [Term] id: FOODON:00001981 name: kale food product def: "A food product made from a kale plant." [] is_a: FOODON:00002143 ! plant leaf vegetable food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00002143 ! plant leaf vegetable food product intersection_of: RO:0001000 FOODON:03411281 ! derives from kale plant relationship: RO:0001000 FOODON:03411281 ! derives from kale plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Kale [Term] id: FOODON:00001992 name: lamb meat food product def: "Lamb meat food product is a meat product taken from a lamb, a sheep less than a year old." [] is_a: FOODON:00002236 ! sheep meat food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Lamb_and_mutton [Term] id: FOODON:00001997 name: lentil vegetable food product is_a: FOODON:00002153 ! plant seed vegetable food product intersection_of: FOODON:00002153 ! plant seed vegetable food product intersection_of: RO:0001000 FOODON:03411268 ! derives from lentil plant relationship: RO:0001000 FOODON:03411268 ! derives from lentil plant [Term] id: FOODON:00002000 name: lima bean food product def: "A lima bean vegetable food product is any food product derived primarily from lima beans." [] is_a: FOODON:00001635 ! bean food product intersection_of: FOODON:00001635 ! bean food product intersection_of: RO:0001000 FOODON:03411397 ! derives from lima bean plant relationship: RO:0001000 FOODON:03411397 ! derives from lima bean plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002007 name: lobster food product is_a: FOODON:00001792 ! crustacean food product intersection_of: FOODON:00001792 ! crustacean food product intersection_of: RO:0001000 FOODON:03411505 ! derives from lobster relationship: RO:0001000 FOODON:03411505 ! derives from lobster [Term] id: FOODON:00002013 name: macaroni or noodle food product is_a: FOODON:00001093 ! cereal grain food product is_a: FOODON:00003395 ! multi-component wheat food product relationship: FOODON:00001563 FOODON:00001210 ! has defining ingredient wheat flour food product [Term] id: FOODON:00002022 name: margarine food product def: "A food product made from margarine." [] is_a: FOODON:00001673 ! butter product analog relationship: RO:0001000 FOODON:03411017 ! derives from oil-producing plant [Term] id: FOODON:00002027 name: meat product analog is_a: FOODON:00001871 ! food product analog relationship: RO:0002350 FOODON:03400132 ! member of meat product analog (us cfr) [Term] id: FOODON:00002029 name: melon food product is_a: FOODON:00001150 ! cucurbit fruit food product intersection_of: FOODON:00001150 ! cucurbit fruit food product intersection_of: RO:0001000 FOODON:03411283 ! derives from melon plant relationship: RO:0001000 FOODON:03411283 ! derives from melon plant [Term] id: FOODON:00002031 name: milk based gravy or sauce food product is_a: FOODON:00001931 ! gravy or sauce intersection_of: FOODON:00001931 ! gravy or sauce intersection_of: FOODON:00002420 FOODON:03307455 ! has ingredient cow milk (raw) relationship: FOODON:00002420 FOODON:03307455 ! has ingredient cow milk (raw) [Term] id: FOODON:00002032 name: milk based product analog is_a: FOODON:00001801 ! dairy product analog [Term] id: FOODON:00002034 name: milk beverage analog is_a: FOODON:00002032 ! milk based product analog relationship: RO:0002350 FOODON:03400182 ! member of milk analog (us cfr) [Term] id: FOODON:00002044 name: mollusc food product synonym: "mollusk food product" EXACT [] is_a: FOODON:00001293 ! shellfish food product intersection_of: FOODON:00001293 ! shellfish food product intersection_of: RO:0001000 FOODON:03412112 ! derives from mollusc relationship: RO:0001000 FOODON:03412112 ! derives from mollusc [Term] id: FOODON:00002053 name: mustard food product is_a: FOODON:00003341 ! brassica food product intersection_of: FOODON:00003341 ! brassica food product intersection_of: RO:0001000 FOODON:03412069 ! derives from mustard plant relationship: RO:0001000 FOODON:03412069 ! derives from mustard plant [Term] id: FOODON:00002057 name: nonalcoholic beverage is_a: FOODON:03301977 ! beverage food product [Term] id: FOODON:00002065 name: olive fat or oil refined food product is_a: FOODON:00002139 ! plant fat or oil refined food product relationship: RO:0001000 FOODON:03411299 ! derives from olive plant [Term] id: FOODON:00002067 name: onion flavouring food product is_a: FOODON:00001242 ! spice or herb is_a: FOODON:00002069 ! onion food product intersection_of: FOODON:00001242 ! spice or herb intersection_of: RO:0001000 FOODON:03411300 ! derives from onion plant [Term] id: FOODON:00002069 name: onion food product is_a: FOODON:00002150 ! plant root vegetable food product intersection_of: FOODON:00002150 ! plant root vegetable food product intersection_of: RO:0001000 FOODON:03411300 ! derives from onion plant relationship: RO:0001000 FOODON:03411300 ! derives from onion plant [Term] id: FOODON:00002079 name: palm vegetable food product is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 FOODON:03411286 ! derives from palm plant relationship: RO:0001000 FOODON:03411286 ! derives from palm plant [Term] id: FOODON:00002080 name: pancake or waffle food product is_a: FOODON:00002347 ! wheat based bakery food product relationship: RO:0002350 FOODON:03400194 ! member of pancake or waffle (us cfr) [Term] id: FOODON:00002094 name: peach butter food product is_a: FOODON:00001057 ! plant fruit food product intersection_of: FOODON:00001057 ! plant fruit food product intersection_of: RO:0001000 NCBITaxon:3760 ! derives from Prunus persica relationship: RO:0001000 NCBITaxon:3760 ! derives from Prunus persica [Term] id: FOODON:00002095 name: peach food product def: "A food product deriving from one or more peaches." [] is_a: FOODON:00002277 ! stone fruit food product relationship: RO:0001000 FOODON:03315502 ! derives from peach (whole) [Term] id: FOODON:00002099 name: peanut food product def: "A food product having peanuts as an ingredient." [] comment: SIREN DB annotation:\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F1350 is_a: FOODON:00001172 ! nut food product is_a: FOODON:00001264 ! legume food product intersection_of: FOODON:00001172 ! nut food product intersection_of: RO:0001000 NCBITaxon:3818 ! derives from Arachis hypogaea relationship: RO:0001000 NCBITaxon:3818 ! derives from Arachis hypogaea property_value: http://purl.org/dc/elements/1.1/date 2019-06-19T22:56:38Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:00002101 name: pear food product is_a: FOODON:00001158 ! pomaceous fruit food product intersection_of: FOODON:00001158 ! pomaceous fruit food product intersection_of: RO:0001000 FOODON:00003041 ! derives from pear (whole) relationship: RO:0001000 FOODON:00003041 ! derives from pear (whole) [Term] id: FOODON:00002111 name: pepper vegetable food product def: "A food product deriving from one or more sweet or hot peppers." [] is_a: FOODON:00002141 ! plant fruit as vegetable food product relationship: RO:0001000 FOODON:00003520 ! derives from pepper (whole) [Term] id: FOODON:00002114 name: pie food product is_a: FOODON:00001180 ! prepared food product is_a: FOODON:00002347 ! wheat based bakery food product is_a: FOODON:00002644 ! food (filled) relationship: has_part FOODON:03306766 ! pie filling relationship: has_part FOODON:03306773 ! pie crust relationship: has_quality FOODON:00002407 ! thickness of 1.5 cm to less than 7.0 cm [Term] id: FOODON:00002125 name: plant based bakery food product is_a: FOODON:00001626 ! bakery food product is_a: FOODON:03316579 ! multi-component plant food product intersection_of: FOODON:00001626 ! bakery food product intersection_of: FOODON:03316579 ! multi-component plant food product [Term] id: FOODON:00002126 name: plant-based candy is_a: FOODON:00001214 ! candy food product is_a: FOODON:03316579 ! multi-component plant food product intersection_of: FOODON:00001214 ! candy food product intersection_of: FOODON:03316579 ! multi-component plant food product [Term] id: FOODON:00002128 name: plant based gravy or sauce food product is_a: FOODON:00001931 ! gravy or sauce [Term] id: FOODON:00002129 name: plant based meat product analog is_a: FOODON:00002027 ! meat product analog is_a: FOODON:03316579 ! multi-component plant food product intersection_of: FOODON:00002027 ! meat product analog intersection_of: FOODON:03316579 ! multi-component plant food product [Term] id: FOODON:00002131 name: plant based refined or partially-refined food product is_a: FOODON:00002196 ! refined or partially-refined food product relationship: RO:0001000 PO:0000003 ! derives from whole plant relationship: RO:0002350 FOODON:03400129 ! member of refined or partially-refined food product (us cfr) [Term] id: FOODON:00002139 name: plant fat or oil refined food product def: "An edible plant fat or oil product with characteristics that consumers desire such as bland flavour and odour, clear appearance, light colour, stability to oxidation and suitability for frying, and which is the result of a refining process that removes free fatty acids." [] is_a: FOODON:00001174 ! plant lipid food product is_a: FOODON:00002131 ! plant based refined or partially-refined food product relationship: RO:0001000 FOODON:03411017 ! derives from oil-producing plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso http://www.fao.org/3/V4700E/V4700E0a.htm [Term] id: FOODON:00002140 name: plant floret vegetable food product is_a: FOODON:00001261 ! vegetable food product [Term] id: FOODON:00002141 name: plant fruit as vegetable food product def: "A plant fruit food product which is labeled (in common language or by regulation) as a vegetable food product." [] is_a: FOODON:00001057 ! plant fruit food product relationship: RO:0001000 FOODON:03411006 ! derives from fruit plant used as vegetable [Term] id: FOODON:00002142 name: plant head vegetable food product is_a: FOODON:00001261 ! vegetable food product [Term] id: FOODON:00002143 name: plant leaf vegetable food product is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 PO:0025034 ! derives from leaf relationship: RO:0001000 PO:0025034 ! derives from leaf [Term] id: FOODON:00002146 name: plant product dressing is_a: FOODON:00001867 ! food dressing product is_a: FOODON:03316579 ! multi-component plant food product intersection_of: FOODON:00001867 ! food dressing product intersection_of: FOODON:03316579 ! multi-component plant food product [Term] id: FOODON:00002147 name: food product by consumer group is_a: FOODON:00001002 ! food product [Term] id: FOODON:00002150 name: plant root vegetable food product def: "A food product harvested from underground plant parts." [] is_a: FOODON:00001147 ! plant root food product is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 FOODON:03420238 ! derives from root, tuber or bulb relationship: RO:0001000 FOODON:03420238 ! derives from root, tuber or bulb property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00002151 name: plant seed based bakery food product is_a: FOODON:00001173 ! plant seed food product is_a: FOODON:00002125 ! plant based bakery food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00002125 ! plant based bakery food product [Term] id: FOODON:00002153 name: plant seed vegetable food product is_a: FOODON:00001173 ! plant seed food product is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00001261 ! vegetable food product intersection_of: RO:0001000 FOODON:03411156 ! derives from pod or seed vegetable plant relationship: RO:0001000 FOODON:03411156 ! derives from pod or seed vegetable plant [Term] id: FOODON:00002156 name: plant stem or spear vegetable food product is_a: FOODON:00001175 ! plant stem food product is_a: FOODON:00001261 ! vegetable food product intersection_of: FOODON:00001175 ! plant stem food product intersection_of: FOODON:00001261 ! vegetable food product [Term] id: FOODON:00002157 name: plant sweetener is_a: FOODON:00002300 ! sweetener food product [Term] id: FOODON:00002158 name: food (preserved) synonym: "preserved" BROAD [] is_a: FOODON:00002645 ! food product by process property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002161 name: plum fruit food product def: "A food product deriving from one or more plums." [] is_a: FOODON:00002277 ! stone fruit food product relationship: RO:0001000 FOODON:00003483 ! derives from plum (whole) [Term] id: FOODON:00002175 name: prepared hen egg product def: "A prepared hen egg product is a product predominantly made of hen egg that has been cooked and may only require defrosting or reheating for consumption." [] is_a: FOODON:00001180 ! prepared food product is_a: FOODON:00001275 ! hen egg food product intersection_of: FOODON:00001180 ! prepared food product intersection_of: FOODON:00001275 ! hen egg food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso https://www.eggnutritioncenter.org/articles/nutritional-benefits-cooked-vs-raw-eggs/ [Term] id: FOODON:00002189 name: raspberry preserve or jam is_a: FOODON:00001226 ! fruit preserve or jam food product is_a: FOODON:00002190 ! raspberry food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00002190 ! raspberry food product [Term] id: FOODON:00002190 name: raspberry food product is_a: FOODON:00003028 ! bramble berry food product intersection_of: FOODON:00001640 ! berry food product intersection_of: RO:0001000 FOODON:03411494 ! derives from raspberry plant relationship: RO:0001000 FOODON:03411494 ! derives from raspberry plant [Term] id: FOODON:00002191 name: red bell pepper food product is_a: FOODON:00003013 ! bell pepper food product intersection_of: FOODON:00003013 ! bell pepper food product intersection_of: RO:0001000 FOODON:03412630 ! derives from red bell pepper plant relationship: RO:0001000 FOODON:03412630 ! derives from red bell pepper plant [Term] id: FOODON:00002196 name: refined or partially-refined food product is_a: FOODON:03311737 ! processed food product [Term] id: FOODON:00002203 name: rice based alcoholic beverage is_a: FOODON:00001916 ! grain based alcoholic beverage intersection_of: FOODON:00001916 ! grain based alcoholic beverage intersection_of: RO:0001000 FOODON:03411322 ! derives from rice plant relationship: RO:0001000 FOODON:03411322 ! derives from rice plant [Term] id: FOODON:00002220 name: salmon food product is_a: FOODON:00001248 ! fish food product [Term] id: FOODON:00002222 name: sandwich food product def: "A sandwich food product is a food product used to create a sandwich. This includes bread as a container, and sandwich ingredients and spreads." [] is_a: FOODON:00001180 ! prepared food product relationship: FOODON:00001563 FOODON:00001183 ! has defining ingredient bread food product relationship: RO:0002350 FOODON:03400218 ! member of sandwich (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002227 name: scallop food product is_a: FOODON:00002044 ! mollusc food product intersection_of: FOODON:00002044 ! mollusc food product intersection_of: RO:0001000 FOODON:03411489 ! derives from scallop relationship: RO:0001000 FOODON:03411489 ! derives from scallop [Term] id: FOODON:00002236 name: sheep meat food product is_a: FOODON:00001006 ! mammalian meat food product intersection_of: FOODON:00001006 ! mammalian meat food product intersection_of: RO:0001000 FOODON:03411183 ! derives from sheep relationship: RO:0001000 FOODON:03411183 ! derives from sheep [Term] id: FOODON:00002239 name: shrimp food product is_a: FOODON:00001792 ! crustacean food product intersection_of: FOODON:00001792 ! crustacean food product intersection_of: RO:0001000 FOODON:03411237 ! derives from shrimp relationship: RO:0001000 FOODON:03411237 ! derives from shrimp [Term] id: FOODON:00002253 name: soft drink food product is_a: FOODON:03301977 ! beverage food product relationship: RO:0002350 FOODON:03400241 ! member of soft drink (us cfr) [Term] id: FOODON:00002260 name: soybean based meat product analog is_a: FOODON:00002129 ! plant based meat product analog intersection_of: FOODON:00002129 ! plant based meat product analog intersection_of: RO:0001000 NCBITaxon:3847 ! derives from Glycine max relationship: RO:0001000 NCBITaxon:3847 ! derives from Glycine max [Term] id: FOODON:00002265 name: soybean seed (field) food product is_a: FOODON:03304497 ! edible seed food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: RO:0001000 NCBITaxon:3847 ! derives from Glycine max relationship: RO:0001000 NCBITaxon:3847 ! derives from Glycine max property_value: seeAlso http://purl.obolibrary.org/obo/FOODON_00002266 xsd:anyURI [Term] id: FOODON:00002266 name: soybean food product def: "A soybean food product is a product derived from the soybean plant." [] synonym: "soy product" EXACT [] is_a: FOODON:00001635 ! bean food product is_a: FOODON:00002265 ! soybean seed (field) food product intersection_of: FOODON:00001635 ! bean food product intersection_of: RO:0001000 NCBITaxon:3847 ! derives from Glycine max property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso http://purl.obolibrary.org/obo/FOODON_00002265 xsd:anyURI [Term] id: FOODON:00002269 name: spinach food product def: "A food product made from spinach." [] is_a: FOODON:00002143 ! plant leaf vegetable food product property_value: IAO:0000119 https://en.wikipedia.org/wiki/Spinach property_value: seeAlso NCBITaxon:161934 property_value: seeAlso NCBITaxon:34272 property_value: seeAlso NCBITaxon:3562 property_value: seeAlso NCBITaxon:3589 property_value: seeAlso NCBITaxon:45318 property_value: seeAlso Spinach:(disambiguation) [Term] id: FOODON:00002271 name: squash food product def: "A food product deriving from one or more squashes." [] is_a: FOODON:00002141 ! plant fruit as vegetable food product relationship: RO:0001000 FOODON:00003539 ! derives from squash (whole) [Term] id: FOODON:00002275 name: steeped beverage product is_a: FOODON:00001253 ! plant derived beverage [Term] id: FOODON:00002277 name: stone fruit food product is_a: FOODON:00001057 ! plant fruit food product [Term] id: FOODON:00002282 name: strawberry food product is_a: FOODON:00001640 ! berry food product intersection_of: FOODON:00001640 ! berry food product intersection_of: RO:0001000 FOODON:03411393 ! derives from strawberry plant relationship: RO:0001000 FOODON:03411393 ! derives from strawberry plant [Term] id: FOODON:00002283 name: strawberry preserve or jam is_a: FOODON:00001226 ! fruit preserve or jam food product is_a: FOODON:00002282 ! strawberry food product intersection_of: FOODON:00001226 ! fruit preserve or jam food product intersection_of: FOODON:00002282 ! strawberry food product [Term] id: FOODON:00002286 name: sugar based cacao food product is_a: FOODON:00001015 ! plant food product [Term] id: FOODON:00002288 name: sugar beet sweetener food product is_a: FOODON:00001083 ! sugar condiment is_a: FOODON:03316271 ! sugar product intersection_of: FOODON:03316271 ! sugar product intersection_of: RO:0001000 NCBITaxon:161934 ! derives from Beta vulgaris relationship: RO:0001000 NCBITaxon:161934 ! derives from Beta vulgaris [Term] id: FOODON:00002289 name: sugar beet food product is_a: FOODON:00001638 ! beet food product intersection_of: FOODON:00002150 ! plant root vegetable food product intersection_of: RO:0001000 NCBITaxon:161934 ! derives from Beta vulgaris relationship: RO:0001000 NCBITaxon:161934 ! derives from Beta vulgaris [Term] id: FOODON:00002297 name: sweet potato food product is_a: FOODON:00001146 ! solanaceous root food product intersection_of: FOODON:00001146 ! solanaceous root food product intersection_of: RO:0001000 FOODON:03301717 ! derives from sweet potato (whole, raw) relationship: RO:0001000 FOODON:03301717 ! derives from sweet potato (whole, raw) [Term] id: FOODON:00002300 name: sweetener food product is_a: FOODON:00001133 ! condiment food product is_a: FOODON:00001857 ! food flavoring or seasoning product replaced_by: http://www.langual.org/langual_thesaurus.asp?termid=H0202 [Term] id: FOODON:00002301 name: pork cured meat food product is_a: FOODON:00001039 ! cured meat food product is_a: FOODON:00001241 ! processed pork meat food product intersection_of: FOODON:00001038 ! pork meat food product intersection_of: FOODON:00001039 ! cured meat food product [Term] id: FOODON:00002306 name: swine sausage is_a: FOODON:00001132 ! swine food product is_a: FOODON:03310675 ! luncheon meat intersection_of: FOODON:00001605 ! animal product sausage intersection_of: RO:0001000 FOODON:03411136 ! derives from swine [Term] id: FOODON:00002307 name: swordfish food product is_a: FOODON:00001248 ! fish food product [Term] id: FOODON:00002314 name: tomato based gravy or sauce food product is_a: FOODON:00002329 ! vegetable based gravy or sauce food product relationship: FOODON:00001563 FOODON:00002318 ! has defining ingredient tomato substance [Term] id: FOODON:00002316 name: tomato juice food product is_a: FOODON:00001164 ! tomato food product is_a: FOODON:03301444 ! vegetable juice food product intersection_of: FOODON:00001164 ! tomato food product intersection_of: FOODON:03301444 ! vegetable juice food product [Term] id: FOODON:00002318 name: tomato substance is_a: FOODON:00001164 ! tomato food product relationship: RO:0001000 FOODON:03309927 ! derives from tomato (whole, raw) [Term] id: FOODON:00002320 name: tuna food product is_a: FOODON:00001248 ! fish food product relationship: RO:0001000 FOODON:03411269 ! derives from tuna [Term] id: FOODON:00002327 name: uncured cow milk cheese food product is_a: FOODON:00001127 ! cow milk cheese [Term] id: FOODON:00002329 name: vegetable based gravy or sauce food product is_a: FOODON:00002128 ! plant based gravy or sauce food product [Term] id: FOODON:00002336 name: vitamin and mineral food supplement food product is_a: FOODON:00001874 ! food supplement food product [Term] id: FOODON:00002337 name: vitamin as food supplement food product is_a: FOODON:00002336 ! vitamin and mineral food supplement food product [Term] id: FOODON:00002338 name: walnut food product comment: A food product derived from one or more walnuts. is_a: FOODON:00001172 ! nut food product relationship: RO:0001000 FOODON:03301364 ! derives from walnut (whole) [Term] id: FOODON:00002339 name: water based soft drink food product is_a: FOODON:00002253 ! soft drink food product relationship: RO:0001000 ENVO:00003064 ! derives from drinking water [Term] id: FOODON:00002340 name: water food product def: "A water food product is a food product derived from H20 (water) in its liquid form." [] comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003) subset: subset_siren synonym: "water" NARROW [] xref: SUBSET_SIREN:F10414 is_a: FOODON:03301977 ! beverage food product relationship: RO:0001000 ENVO:00002011 ! derives from fresh water relationship: RO:0002350 FOODON:03400112 ! member of nonalcoholic beverage (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Water xsd:anyURI [Term] id: FOODON:00002343 name: watermelon food product is_a: FOODON:00001154 ! citrullus lanatus fruit food product [Term] id: FOODON:00002347 name: wheat based bakery food product is_a: FOODON:00001917 ! grain based bakery food product intersection_of: FOODON:00001917 ! grain based bakery food product intersection_of: RO:0001000 FOODON:03411312 ! derives from wheat plant relationship: RO:0001000 FOODON:03411312 ! derives from wheat plant [Term] id: FOODON:00002350 name: wheat based pastry food product is_a: FOODON:00002347 ! wheat based bakery food product relationship: FOODON:00002420 FOODON:00001210 ! has ingredient wheat flour food product [Term] id: FOODON:00002351 name: wheat bread food product is_a: FOODON:00001183 ! bread food product [Term] id: FOODON:00002352 name: wheat cereal food product is_a: FOODON:00001709 ! cereal food product intersection_of: FOODON:00001709 ! cereal food product intersection_of: RO:0001000 FOODON:03411312 ! derives from wheat plant relationship: RO:0001000 FOODON:03411312 ! derives from wheat plant [Term] id: FOODON:00002353 name: wheat cracker food product is_a: FOODON:00002347 ! wheat based bakery food product [Term] id: FOODON:00002356 name: wheat based snack food product is_a: FOODON:00003395 ! multi-component wheat food product is_a: FOODON:03315013 ! snack food [Term] id: FOODON:00002368 name: yam food product is_a: FOODON:00002150 ! plant root vegetable food product intersection_of: FOODON:00002150 ! plant root vegetable food product intersection_of: RO:0001000 NCBITaxon:4672 ! derives from Dioscorea relationship: RO:0001000 NCBITaxon:4672 ! derives from Dioscorea [Term] id: FOODON:00002373 name: food product by meal type def: "A meal type is the name of an eating occasion that may have location, food type, or other customary contextual features. (Damion's 1st draft definition)" [] is_a: FOODON:00001002 ! food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002381 name: food product by organism def: "A food product consisting of food material derived primarily from a single organism." [] is_a: FOODON:00001002 ! food product relationship: RO:0001000 FOODON:03411564 ! derives from food product organismal source property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002386 name: breakfast food def: "A food product traditionally consumed in the morning as the first meal of the day." [] is_a: FOODON:00002373 ! food product by meal type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002403 name: food material def: "Any substance that can be consumed by an organism to satisfy nutritional or other health needs, or to provide a social or organoleptic food experience" [] comment: This class is the top of FOODON's main food product hierarchy which is described in the https://www.foodon.org website, and can be searched in lookup services like https://www.ebi.ac.uk/ols/ synonym: "food" EXACT [] synonym: "foodstuff" EXACT [] synonym: "nourishment" EXACT [] synonym: "sustenance" EXACT [] is_a: ENVO:00010483 ! environmental material intersection_of: BFO:0000040 ! material entity intersection_of: has_role CHEBI:33290 ! food relationship: has_role CHEBI:33290 ! food property_value: IAO:0000119 https://en.wikipedia.org/wiki/Food property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl [Term] id: FOODON:00002405 name: thickness of 0.3 cm to less than 1.5 cm def: "A material entity having a thickness of 0.3 to less than 1.5 cm" [] is_a: PATO:0000915 ! thickness property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "This is a component of a LanguaL physical state, shape or form term." xsd:string [Term] id: FOODON:00002407 name: thickness of 1.5 cm to less than 7.0 cm def: "A material entity having a thickness of 1.5 to less than 7.0 cm" [] is_a: PATO:0000915 ! thickness property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "This is a component of a LanguaL physical state, shape or form term." xsd:string [Term] id: FOODON:00002417 name: apple (raw, sliced) comment: Note that this class doesn't commit to whether or not apple has been peeled. is_a: FOODON:00002453 ! apple (raw) is_a: FOODON:00002482 ! apple (sliced) intersection_of: FOODON:00002453 ! apple (raw) intersection_of: FOODON:00002481 ! fruit (sliced) property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002448 name: zucchini food product def: "A zucchini food product is a food product deriving from either golden or green zucchini plant cultivars." [] is_a: FOODON:00002271 ! squash food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002450 name: multi-component honey product is_a: FOODON:00001178 ! honey food product is_a: FOODON:00002501 ! multi-component food product intersection_of: FOODON:00001178 ! honey food product intersection_of: FOODON:00002501 ! multi-component food product [Term] id: FOODON:00002451 name: food transformation process def: "A process involving the physical transformation of a food source or food product into some derived organic material or food product" [] is_a: BFO:0000015 ! process relationship: OBI:0000299 FOODON:00002403 ! has_specified_output food material property_value: IAO:0000114 "requires discussion" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002452 name: invertebrate animal def: "Invertebrates are animals that neither possess nor develop a vertebral column (commonly known as a backbone or spine), derived from the notochord. This includes all animals apart from the subphylum Vertebrata." [] synonym: "animal" BROAD [] is_a: FOODON:00003004 ! animal property_value: IAO:0000112 "Familiar examples of invertebrates include arthropods (insects, arachnids, crustaceans, and myriapods), mollusks (chitons, snails, bivalves, squids, and octopuses), annelids (earthworms and leeches), and cnidarians (hydras, jellyfishes, sea anemones, and corals).[wikipedia]" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Invertebrate xsd:anyURI [Term] id: FOODON:00002453 name: apple (raw) is_a: FOODON:03302007 ! fruit (raw) is_a: FOODON:03310788 ! apple (whole or parts) intersection_of: FOODON:03302007 ! fruit (raw) intersection_of: FOODON:03310788 ! apple (whole or parts) property_value: IAO:0000117 "Raw apple is apple that has not been subject to cooking or other preservation processes other than by cold storage." xsd:string [Term] id: FOODON:00002454 name: food product by quality def: "A class which contains food product categories qualified by a quality such as granularity or temperature, which is useful for tasks like food inspection where little prior knowledge of how the food came to be is available. Some terms like \"food (frozen)\" are both a quality descriptor and the output of a process." [] is_a: FOODON:00001002 ! food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002455 name: food (sliced) def: "Solid food that is divided into uniformly thin pieces." [] synonym: "sliced food" EXACT [] is_a: FOODON:00002645 ! food product by process is_a: FOODON:00003460 ! food (pieces) intersection_of: has_quality FOODON:03430137 ! sliced intersection_of: output_of FOODON:00000071 ! food cutting process relationship: has_quality FOODON:03430137 ! sliced relationship: output_of FOODON:00000071 ! food cutting process property_value: IAO:0000112 "Sliced bread is an example of sliced food." xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 http://langual.org/langual_thesaurus.asp?termid=E0137 xsd:anyURI [Term] id: FOODON:00002456 name: food (baked) synonym: "baked" EXACT [] synonym: "baked food product" EXACT [] is_a: FOODON:00001181 ! food (cooked) relationship: output_of FOODON:03450005 ! food baking [Term] id: FOODON:00002468 name: lobster (whole) is_a: FOODON:00002469 ! lobster (whole or parts) [Term] id: FOODON:00002469 name: lobster (whole or parts) is_a: FOODON:00002007 ! lobster food product [Term] id: FOODON:00002470 name: food object quality def: "A physical object quality which can describe an attribute of a food item or related to a food product." [] is_a: PATO:0001241 ! physical object quality property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0001-8008-8249 xsd:string [Term] id: FOODON:00002473 name: apple (whole) def: "A pome fruit of an apple tree (Malus domestica)." [] comment: A whole apple may include a stem. synonym: "apple" EXACT [] is_a: FOODON:03310788 ! apple (whole or parts) is_a: PO:0030110 ! pome fruit intersection_of: PO:0030110 ! pome fruit intersection_of: in_taxon NCBITaxon:3750 {all_some="true", all_only="true"} ! Malus domestica relationship: in_taxon NCBITaxon:3750 ! Malus domestica property_value: IAO:0000114 IAO:0000122 property_value: seeAlso https://www-atlasobscura-com.cdn.ampproject.org/c/s/www.atlasobscura.com/articles/heritage-appalachian-apples.amp xsd:string [Term] id: FOODON:00002481 name: fruit (sliced) is_a: FOODON:00002455 ! food (sliced) is_a: FOODON:03315615 ! fruit food product [Term] id: FOODON:00002482 name: apple (sliced) is_a: FOODON:00002481 ! fruit (sliced) is_a: FOODON:03310788 ! apple (whole or parts) intersection_of: FOODON:00002481 ! fruit (sliced) intersection_of: FOODON:03310788 ! apple (whole or parts) [Term] id: FOODON:00002485 name: peach (whole or parts) is_a: FOODON:00002095 ! peach food product [Term] id: FOODON:00002486 name: apricot (whole or parts) is_a: FOODON:00001615 ! apricot food product [Term] id: FOODON:00002488 name: pear (whole or parts) is_a: FOODON:00002101 ! pear food product [Term] id: FOODON:00002490 name: carrot root (whole or parts) is_a: FOODON:00001687 ! carrot food product [Term] id: FOODON:00002498 name: chard food product def: "A food product made from a chard plant cultivar." [] is_a: FOODON:00002143 ! plant leaf vegetable food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "Cultivars" property_value: seeAlso https://www.thespruceeats.com/rainbow-red-and-swiss-chard-995607 [Term] id: FOODON:00002501 name: multi-component food product def: "A food product consisting of food material derived from ingredients sourced from multiple organisms." [] comment: The definition of this is being discussed in issue: https://github.com/FoodOntology/foodon/issues/57\n\nNamely, how to characterize the threshold of ingredients that make for multi-component classification? Salt, pepper, spices wouldn't normally make a food multi-component? is_a: FOODON:00001002 ! food product relationship: RO:0001000 FOODON:00002381 ! derives from food product by organism relationship: RO:0002350 FOODON:03400139 ! member of multicomponent meal (us cfr) property_value: hasSynonym "multi-ingredient" xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-01-23T22:40:32Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002502 name: ham food product def: "Ham is pork from a leg cut that has been preserved by wet or dry curing, with or without smoking. As a processed meat, the term \"ham\" includes both whole cuts of meat and ones that have been mechanically formed." [] synonym: "ham" EXACT [] is_a: FOODON:00001038 ! pork meat food product property_value: http://purl.org/dc/elements/1.1/date 2019-01-24T05:39:09Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ham xsd:string [Term] id: FOODON:00002505 name: dairy cattle def: "Dairy cattle are a type of cattle bred for the ability to produce large quantities of milk, from which dairy products are made. This class covers both male and female members of a dairy breed." [] is_a: FOODON:00002507 ! taurine cattle property_value: http://purl.org/dc/elements/1.1/date 2019-01-26T22:49:27Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Dairy_cattle xsd:anyURI property_value: seeAlso https://en.wikipedia.org/wiki/List_of_dairy_cattle_breeds xsd:anyURI [Term] id: FOODON:00002507 name: taurine cattle def: "Taurine cattle (Bos taurus taurus), also called European cattle, are a subspecies of domesticated cattle originating in the Near East. Both taurine cattle and indicine cattle (zebus) are descended from the aurochs. Taurine cattle were originally considered a distinct species, but are now typically grouped with zebus and aurochs into one species, Bos taurus. Most modern breeds of cattle are taurine cattle." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B5186 is_a: NCBITaxon:9913 ! Bos taurus property_value: http://purl.org/dc/elements/1.1/date 2019-01-28T02:41:04Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Taurine_cattle xsd:anyURI [Term] id: FOODON:00002511 name: navel orange (whole, raw) synonym: "navel orange" EXACT [] is_a: FOODON:00002511 ! navel orange (whole, raw) intersection_of: FOODON:00002511 ! navel orange (whole, raw) intersection_of: FOODON:03302007 ! fruit (raw) property_value: http://purl.org/dc/elements/1.1/date 2019-01-28T05:15:37Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002515 name: carrot cake def: "Carrot cake is a cake that contains carrots mixed into the batter." [] is_a: FOODON:00001278 ! cake food product is_a: FOODON:00001687 ! carrot food product intersection_of: FOODON:00001278 ! cake food product intersection_of: FOODON:00001687 ! carrot food product property_value: http://purl.org/dc/elements/1.1/date 2019-02-05T23:44:00Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Carrot_cake xsd:anyURI [Term] id: FOODON:00002562 name: chocolate brownie def: "A chocolate brownie (commonly referred to as simply brownie) is a square, baked, chocolate dessert." [] is_a: FOODON:00001278 ! cake food product property_value: hasSynonym "brownie" xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-04-13T17:38:55Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Chocolate_brownie xsd:string [Term] id: FOODON:00002581 name: aquatic invertebrate def: "An aquatic invertebrate may live entirely beneath the water, or may live upon its surface or on the plants surrounding it. Some breathe air, others breathe water. To move, they may walk, swim, float, skate, fly or glide on their bellies—or they may not move much at all." [] is_a: FOODON:00002452 ! invertebrate animal property_value: http://purl.org/dc/elements/1.1/date 2019-04-29T19:23:38Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "Because snails are members of gastropod, a subclass of molluscs, ... leading to aquatic invertebrates, we can't make aquatic invertebrates disjoint with terrestrial invertebrates." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://nature.mdc.mo.gov/discover-nature/general-species-information/aquatic-invertebrate-facts xsd:anyURI [Term] id: FOODON:00002616 name: avian animal synonym: "Aves" EXACT [] synonym: "avian" EXACT [] synonym: "bird" EXACT [] is_a: FOODON:03411297 ! vertebrate animal relationship: in_taxon NCBITaxon:8782 ! Aves property_value: http://purl.org/dc/elements/1.1/date 2019-05-21T22:37:06Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002644 name: food (filled) synonym: "filled" BROAD [] synonym: "stuffed" BROAD [] is_a: FOODON:00002645 ! food product by process relationship: output_of FOODON:03460207 ! food filling process property_value: http://purl.org/dc/elements/1.1/date 2019-05-23T22:48:30Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002645 name: food product by process def: "A food product organized by the process which it results from." [] is_a: FOODON:00001002 ! food product property_value: http://purl.org/dc/elements/1.1/date 2019-05-23T23:02:07Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002654 name: food (pasteurized) synonym: "pasteurized" BROAD [] is_a: FOODON:00002645 ! food product by process property_value: http://purl.org/dc/elements/1.1/date 2019-05-25T06:38:12Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002663 name: pork food product is_a: FOODON:00001132 ! swine food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-14T04:23:35Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002664 name: lipid food product def: "A lipid food product is a food product made primarily of plant or animal fat or oil" [] synonym: "fats and oils" EXACT [] synonym: "oils and fats" EXACT [] is_a: FOODON:03420228 ! extract, concentrate or isolate of plant or animal relationship: RO:0001000 CHEBI:18059 ! derives from lipid property_value: http://purl.org/dc/elements/1.1/date 2019-06-11T09:18:41Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002665 name: quick bread def: "Quick bread is any bread leavened with leavening agents other than yeast or eggs." [] is_a: FOODON:00001183 ! bread food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-14T15:10:59Z xsd:dateTime property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/f/f3/Banana_bread_078.jpg/319px-Banana_bread_078.jpg xsd:anyURI property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Quick_bread xsd:string [Term] id: FOODON:00002684 name: mustard greens def: "Mustard greens are leaves from a mustard plant" [] is_a: FOODON:00002053 ! mustard food product is_a: FOODON:00002143 ! plant leaf vegetable food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-27T08:09:44Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002689 name: tropical fruit food product def: "A tropical fruit food product is any fruit product derived from a tropical or subtropical fruit producing plant." [] synonym: "tropical fruit" EXACT [] is_a: FOODON:00001057 ! plant fruit food product intersection_of: FOODON:00001057 ! plant fruit food product intersection_of: RO:0001000 FOODON:03411024 ! derives from tropical or subtropical fruit producing plant relationship: RO:0001000 FOODON:03411024 ! derives from tropical or subtropical fruit producing plant property_value: http://purl.org/dc/elements/1.1/date 2019-06-27T14:32:20Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso https://en.wikipedia.org/wiki/List_of_culinary_fruits#Tropical_and_tropical-like_fruit xsd:anyURI [Term] id: FOODON:00002711 name: cracker def: "A cracker is a flat, dry baked food typically made with flour. In UK English, crackers are sometimes called water biscuits, savoury biscuits or biscuits." [] synonym: "savoury biscuit" EXACT [] synonym: "water biscuit" EXACT [] is_a: FOODON:00001917 ! grain based bakery food product relationship: RO:0002350 FOODON:03400242 ! member of cracker (us cfr) property_value: http://purl.org/dc/elements/1.1/date 2019-06-27T23:36:40Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cracker_(food) xsd:anyURI [Term] id: FOODON:00002718 name: ginger root synonym: "ginger" EXACT [] is_a: FOODON:00001901 ! ginger food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-28T00:25:22Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002728 name: Kielbasa def: "Kielbasa (from Polish kiełbasa)[a] is any type of meat sausage from Poland, and a staple of Polish cuisine." [] synonym: "polish sausage" EXACT [] is_a: FOODON:00001605 ! animal product sausage property_value: http://purl.org/dc/elements/1.1/date 2019-06-28T06:46:05Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Kielbasa xsd:anyURI [Term] id: FOODON:00002729 name: pork sausage def: "Pork sausage is sausage made with pork meat." [] is_a: FOODON:00002306 ! swine sausage intersection_of: FOODON:00002306 ! swine sausage intersection_of: RO:0001000 FOODON:03309969 ! derives from pork (ground or minced) relationship: RO:0001000 FOODON:03309969 ! derives from pork (ground or minced) property_value: http://purl.org/dc/elements/1.1/date 2019-06-28T06:49:12Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002737 name: beef hamburger (dish) def: "A hamburger (short: burger) is a sandwich consisting of one or more cooked patties of ground meat, usually beef, placed inside a sliced bread roll or bun. The patty may be pan fried, grilled, or flame broiled." [] synonym: "burger" EXACT [] synonym: "hamburger" EXACT [] is_a: FOODON:00001699 ! cattle sandwich is_a: FOODON:00003288 ! multi-component meat product relationship: FOODON:00001563 FOODON:03317337 ! has defining ingredient ground beef patty property_value: http://purl.org/dc/elements/1.1/date 2019-06-28T07:39:11Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Hamburger xsd:anyURI property_value: seeAlso https://en.wikipedia.org/wiki/List_of_hamburgers [Term] id: FOODON:00002743 name: roll or bun def: "A roll is a small, often round loaf of bread served as a meal accompaniment (eaten plain or with butter). A bun is a small, sometimes sweet, bread, or bread roll." [] synonym: "bread roll" EXACT [] synonym: "bun" EXACT [] synonym: "roll" EXACT [] is_a: FOODON:00001183 ! bread food product property_value: http://purl.org/dc/elements/1.1/date 2019-06-28T18:47:36Z xsd:dateTime property_value: IAO:0000116 "Damion Dooley's note: Is bread roll semantically different from bread bun?" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Bread_roll xsd:anyURI property_value: seeAlso https://en.wikipedia.org/wiki/List_of_buns xsd:string [Term] id: FOODON:00002753 name: bean (whole) def: "A seed of a bean plant from one of several genera of the flowering plant family (Fabaceae)." [] synonym: "bean" EXACT [] is_a: FOODON:00001635 ! bean food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon FOODON:03411567 {all_some="true", all_only="true"} ! bean plant intersection_of: RO:0001000 FOODON:03411567 ! derives from bean plant relationship: in_taxon FOODON:03411567 ! bean plant relationship: in_taxon NCBITaxon:3803 ! Fabaceae relationship: RO:0001000 FOODON:03411567 ! derives from bean plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T07:28:59 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000116 "Damion Dooley's note. This could be enhanced to explicitly state the anatomical parts of a seed - seed coat, cotyledons, embryo etc. Currently the Plant Ontology is not explicit about this yet." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002762 name: bean (cooked) def: "Cooked bean material is the bean material output of a cooking process applied to dry, rehydrated, or raw (fresh) beans." [] is_a: FOODON:00001181 ! food (cooked) is_a: FOODON:03301467 ! bean substance intersection_of: FOODON:00001181 ! food (cooked) intersection_of: FOODON:03301467 ! bean substance property_value: http://purl.org/dc/elements/1.1/date 2019-07-08T21:47:07Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002765 name: bean pod def: "A bean pod is a fruit pod from a bean plant" [] is_a: FOODON:00001635 ! bean food product is_a: PO:0030100 ! legume fruit intersection_of: PO:0030100 ! legume fruit intersection_of: in_taxon NCBITaxon:3885 {all_some="true", all_only="true"} ! Phaseolus vulgaris relationship: in_taxon NCBITaxon:3885 ! Phaseolus vulgaris relationship: RO:0001000 FOODON:03411567 ! derives from bean plant property_value: http://purl.org/dc/elements/1.1/date 2019-07-08T23:32:17Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002766 name: green bean substance def: "A green bean substance is one or more raw whole green beans that have been subjected to further processing." [] is_a: FOODON:00001934 ! green bean food product intersection_of: FOODON:00001934 ! green bean food product intersection_of: RO:0001000 FOODON:03305806 ! derives from green bean pod (whole) relationship: RO:0001000 FOODON:03305806 ! derives from green bean pod (whole) property_value: http://purl.org/dc/elements/1.1/date 2019-07-09T00:06:20Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002776 name: lima bean substance is_a: FOODON:00002000 ! lima bean food product is_a: FOODON:03301467 ! bean substance intersection_of: FOODON:00002000 ! lima bean food product intersection_of: RO:0001000 FOODON:03302053 ! derives from lima bean (whole) relationship: RO:0001000 FOODON:03302053 ! derives from lima bean (whole) property_value: http://purl.org/dc/elements/1.1/date 2019-07-09T18:36:16Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002796 name: potato substance def: "A potato substance is a whole potato transformed into some derivative food material. It doesn't include potato food products that are ready to consume or simply require thawing or reheating." [] is_a: FOODON:00001148 ! potato food product property_value: http://purl.org/dc/elements/1.1/date 2019-07-10T15:56:14Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002797 name: potato prepared food is_a: FOODON:00001148 ! potato food product property_value: http://purl.org/dc/elements/1.1/date 2019-07-10T15:59:49Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002802 name: turkey egg (whole, shell on, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'egg' (http://purl.obolibrary.org/obo/FOODON_03420194) subset: subset_siren synonym: "turkey egg" EXACT [] xref: SUBSET_SIREN:F4839 is_a: FOODON:03304839 ! turkey egg food product is_a: UBERON:0007379 ! shelled egg property_value: http://purl.org/dc/elements/1.1/date 2019-07-10T17:35:07Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002808 name: olive oil (extra-virgin) def: "Extra virgin olive oil is a virgin olive oil which has a free acidity, expressed as oleic acid, of not more than 0.8 grams per 100 grams." [] synonym: "extra virgin olive oil" EXACT [] synonym: "IAO:0000122" EXACT [] is_a: FOODON:03306633 ! olive oil (virgin) property_value: http://purl.org/dc/elements/1.1/date 2019-07-10T22:48:47Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf xsd:anyURI [Term] id: FOODON:00002812 name: edible bean pod def: "A bean pod which is still tender rather than one that has reached full maturity." [] is_a: FOODON:00002765 ! bean pod property_value: http://purl.org/dc/elements/1.1/date 2019-07-11T19:31:58Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: seeAlso https://www.berkeleywellness.com/healthy-eating/food/article/types-fresh-beans [Term] id: FOODON:00002813 name: pea food product is_a: FOODON:00001264 ! legume food product intersection_of: FOODON:00001264 ! legume food product intersection_of: RO:0001000 FOODON:03411338 ! derives from pea plant relationship: RO:0001000 FOODON:03411338 ! derives from pea plant property_value: http://purl.org/dc/elements/1.1/date 2019-07-12T17:18:31Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002815 name: lowfat cow milk (1% fat) synonym: "1% milk" EXACT [] is_a: FOODON:03301483 ! lowfat cow milk property_value: http://purl.org/dc/elements/1.1/date 2019-07-16T03:20:44Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002816 name: lima bean (whole, raw) is_a: FOODON:03301403 ! bean (whole, raw) is_a: FOODON:03302053 ! lima bean (whole) intersection_of: FOODON:03301403 ! bean (whole, raw) intersection_of: FOODON:03302053 ! lima bean (whole) property_value: http://purl.org/dc/elements/1.1/date 2019-07-16T15:09:09Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:00002842 name: Williams bon chrétien pear plant def: "The Williams' bon chrétien pear, commonly called the Williams pear or the Bartlett pear in the United States and Canada, is the most commonly grown variety of pear in most countries outside Asia." [] synonym: "Bartlett pear plant" NARROW [] synonym: "Williams pear plant" NARROW [] is_a: FOODON:03411344 ! pear plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-06T22:13:35Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00002843 name: Williams pear (whole, raw) def: "The most commonly grown variety of pear fruit in most countries outside Asia." [] synonym: "Bartlett pear" EXACT [] synonym: "Williams bon chrétien pear" EXACT [] is_a: FOODON:03301724 ! pear (whole, raw) intersection_of: FOODON:03301724 ! pear (whole, raw) intersection_of: RO:0001000 FOODON:00002842 ! derives from Williams bon chrétien pear plant relationship: RO:0001000 FOODON:00002842 ! derives from Williams bon chrétien pear plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-06T22:21:46Z xsd:dateTime property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/a/ad/Hedrick_%281921%29_-_Bartlett.jpg/363px-Hedrick_%281921%29_-_Bartlett.jpg {http://purl.org/dc/terms/license="Public domain", http://purl.org/dc/terms/rightsHolder="Ulysses Prentiss Hedrick"} property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00002958 name: beef sausage def: "Beef sausage is sausage primarily made of beef." [] is_a: FOODON:00001700 ! cattle sausage food product property_value: http://purl.org/dc/elements/1.1/date 2019-08-13T04:30:42Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Sausage [Term] id: FOODON:00002987 name: tuna steak def: "A tuna steak is a cut of fish from a tuna." [] synonym: "tuna cutlet" EXACT [] is_a: FOODON:00002320 ! tuna food product property_value: http://purl.org/dc/elements/1.1/date 2019-08-12T23:49:13Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Fish:steak [Term] id: FOODON:00002994 name: ancho pepper def: "The poblano (Capsicum annuum) is a mild chili pepper originating in the state of Puebla, Mexico. Dried, it is called ancho or chile ancho, from the Spanish word ancho (\"wide\")." [] synonym: "ancho" EXACT [] synonym: "ancho pepper" EXACT [] synonym: "chile ancho" EXACT [] synonym: "poblano" EXACT [] is_a: FOODON:00001956 ! hot pepper food product intersection_of: FOODON:00001956 ! hot pepper food product intersection_of: RO:0001000 NCBITaxon:4072 ! derives from Capsicum annuum relationship: RO:0001000 NCBITaxon:4072 ! derives from Capsicum annuum property_value: http://purl.org/dc/elements/1.1/date 2019-08-13T04:55:19Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Emma Griffiths" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003004 name: animal def: "A multicellular eukaryotic heterotrophic organism within the kingdom Animalia." [] xref: langual:thesaurus.asp?termid=B1297 is_a: FOODON:03411564 ! food product organismal source property_value: http://purl.org/dc/elements/1.1/date 2019-08-14T18:02:36Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Animal [Term] id: FOODON:00003013 name: bell pepper food product def: "A bell pepper is a fruits in different colours - including red, yellow, orange, green, white, and purple - from a bell pepper plant cultivar. Bell peppers are sometimes grouped with less pungent pepper varieties as \"sweet peppers\"." [] synonym: "pepper" NARROW [] is_a: FOODON:00002111 ! pepper vegetable food product intersection_of: FOODON:00002111 ! pepper vegetable food product intersection_of: RO:0001000 FOODON:03412628 ! derives from bell pepper plant relationship: RO:0001000 FOODON:03412628 ! derives from bell pepper plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-22T18:01:49Z xsd:dateTime property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/8/85/Green-Yellow-Red-Pepper-2009.jpg/640px-Green-Yellow-Red-Pepper-2009.jpg {http://purl.org/dc/terms/license="https://creativecommons.org/licenses/by-sa/3.0", http://purl.org/dc/terms/rightsHolder="Kham Tran - www.khamtran.com"} property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 "Varieties" [Term] id: FOODON:00003014 name: golden zucchini plant def: "Golden zucchini is a modern hybrid summer squash (Cucurbita pepo)." [] synonym: "gold gush zucchini" EXACT [] synonym: "golden delight zucchini" EXACT [] synonym: "goldfinger zucchini" EXACT [] synonym: "yellow zucchini" EXACT [] is_a: FOODON:03411190 ! summer squash plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-22T19:52:25Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Zucchini [Term] id: FOODON:00003015 name: golden zucchini squash (whole) def: "A golden or yellow zucchini is a summer squash harvested from the golden zucchini cultivar." [] synonym: "golden zucchini" EXACT [] synonym: "yellow zucchini" EXACT [] is_a: FOODON:00002448 ! zucchini food product intersection_of: FOODON:00002448 ! zucchini food product intersection_of: RO:0001000 FOODON:00003014 ! derives from golden zucchini plant relationship: RO:0001000 FOODON:00003014 ! derives from golden zucchini plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-22T20:36:52Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003026 name: drupelet berry food product def: "A drupelet berry food product is a product made from aggregated drupelet \"berries\" such as Raspberries and Blackberries." [] synonym: "druplet berry" EXACT [] is_a: FOODON:00001640 ! berry food product property_value: http://purl.org/dc/elements/1.1/date 2019-08-23T02:35:59Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 "Aggregated_drupelet_%22berries%22" [Term] id: FOODON:00003028 name: bramble berry food product is_a: FOODON:00001640 ! berry food product intersection_of: FOODON:00001640 ! berry food product intersection_of: RO:0001000 FOODON:03411121 ! derives from bramble berry plant relationship: RO:0001000 FOODON:03411121 ! derives from bramble berry plant property_value: http://purl.org/dc/elements/1.1/date 2019-08-23T02:53:47Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003041 name: pear (whole) def: "A pome fruit of a pear tree." [] synonym: "pear" EXACT [] is_a: FOODON:00002488 ! pear (whole or parts) is_a: PO:0030110 ! pome fruit intersection_of: PO:0030110 ! pome fruit intersection_of: in_taxon NCBITaxon:3766 {all_some="true", all_only="true"} ! Pyrus relationship: in_taxon NCBITaxon:3766 ! Pyrus property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T02:25:28 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003060 name: pita bread def: "Pita is a family of yeast-leavened round flatbreads baked from wheat flour, common in the Mediterranean, Middle East, and neighboring areas." [] synonym: "pita" EXACT [] synonym: "pitta" EXACT [] is_a: FOODON:00001183 ! bread food product property_value: http://purl.org/dc/elements/1.1/date 2019-08-24T18:01:31Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Pita [Term] id: FOODON:00003130 name: gai lan def: "Gai lan is the leaf and stem component of the gai lan plant" [] synonym: "chinese broccoli" EXACT [] synonym: "chinese kale" EXACT [] synonym: "jie lan" EXACT [] synonym: "kai-lan" EXACT [] is_a: FOODON:00001981 ! kale food product intersection_of: FOODON:00002143 ! plant leaf vegetable food product intersection_of: RO:0001000 NCBITaxon:3712 ! derives from Brassica oleracea relationship: RO:0001000 NCBITaxon:3712 ! derives from Brassica oleracea property_value: http://purl.org/dc/elements/1.1/date 2019-08-25T16:12:36Z xsd:dateTime property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Gai:lan property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:00003131 name: common wheat kernel def: "A caryopsis fruit of a common wheat plant (Triticum aestivum)." [] comment: About 95% of wheat produced worldwide is common wheat. synonym: "bread wheat" EXACT [] synonym: "bread wheat kernel" EXACT [] is_a: FOODON:03315184 ! whole wheat kernel intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:4565 {all_some="true", all_only="true"} ! Triticum aestivum relationship: in_taxon NCBITaxon:4565 ! Triticum aestivum property_value: http://purl.org/dc/elements/1.1/date 2019-08-25T16:34:00 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Common_wheat xsd:string [Term] id: FOODON:00003157 name: almond milk def: "Almond milk is a plant milk manufactured from almonds with a creamy texture and nutty flavor," [] is_a: FOODON:00001587 ! almond food product property_value: http://purl.org/dc/elements/1.1/date 2019-09-09T22:10:31Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Almond:milk [Term] id: FOODON:00003158 name: poultry sandwich def: "A poultry sandwich contains chicken, turkey or other poultry meat." [] is_a: FOODON:00001604 ! animal product sandwich property_value: http://purl.org/dc/elements/1.1/date 2019-08-26T18:45:16Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003177 name: vegetarian burger def: "A burger patty that does not contain meat or any such kind of meat. These burgers may be made from ingredients like beans, especially soybeans and tofu, nuts, grains, seeds or fungi such as mushrooms or mycoprotein." [] synonym: "veggie burger" EXACT [] is_a: FOODON:00002129 ! plant based meat product analog relationship: RO:0001000 FOODON:03411049 ! derives from protein-producing plant property_value: http://purl.org/dc/elements/1.1/date 2019-09-11T05:57:14Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Veggie:burger property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:00003194 name: vegetarian food product def: "A food product not including meat and animal tissue products (such as gelatin or animal-derived rennet)." [] synonym: "vegetarian food" EXACT [] is_a: FOODON:00002381 ! food product by organism property_value: http://purl.org/dc/elements/1.1/date 2019-09-11T21:12:43Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Vegetarian_cuisine xsd:string [Term] id: FOODON:00003205 name: peanut (whole or parts) is_a: FOODON:00002099 ! peanut food product property_value: http://purl.org/dc/elements/1.1/date 2019-10-12T09:36:28Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003206 name: peanut (whole) def: "A seed of a peanut plant (Arachis hypogaea)." [] synonym: "peanut" EXACT [] is_a: FOODON:00002099 ! peanut food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3818 {all_some="true", all_only="true"} ! Arachis hypogaea intersection_of: RO:0001000 FOODON:03301353 ! derives from peanut pod relationship: in_taxon NCBITaxon:3818 ! Arachis hypogaea relationship: RO:0001000 FOODON:03301353 ! derives from peanut pod property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003208 name: miso def: "A traditional Japanese seasoning produced by fermenting soybeans with salt and kōji (the fungus Aspergillus oryzae) and sometimes rice, barley, seaweed or other ingredients." [] is_a: FOODON:00001070 ! miso food product relationship: FOODON:00001563 FOODON:03301415 ! has defining ingredient soybean (whole) property_value: http://purl.org/dc/elements/1.1/date 2019-10-12T20:08:26Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003237 name: skim milk (liquid) is_a: FOODON:03301484 ! skim milk food product is_a: FOODON:03302116 ! cow milk (liquid) property_value: http://purl.org/dc/elements/1.1/date 2019-11-04T15:30:52Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003281 name: whitefish (fisheries term) def: "A fisheries term for several species of demersal fish with fins, particularly Atlantic cod (Gadus morhua), whiting (Merluccius bilinearis), haddock (Melanogrammus aeglefinus), hake (Urophycis), pollock (Pollachius), and others." [] synonym: "white fish" EXACT [] xref: https://fdc.nal.usda.gov/fdc-app.html#/food-details/173711/nutrients is_a: FOODON:03411222 ! fish property_value: http://purl.org/dc/elements/1.1/date 2019-11-10T06:26:43Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Whitefish_(fisheries_term) [Term] id: FOODON:00003282 name: hen def: "An adult female chicken." [] is_a: FOODON:00004298 ! poultry is_a: UBERON:0003100 ! female organism is_a: UBERON:0007023 ! adult organism intersection_of: FOODON:00004298 ! poultry intersection_of: UBERON:0003100 ! female organism intersection_of: UBERON:0007023 ! adult organism property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-8844-9165 property_value: http://purl.org/dc/elements/1.1/date 2019-11-15T20:12:48Z xsd:dateTime property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-9578-0788 [Term] id: FOODON:00003288 name: multi-component meat product is_a: FOODON:00002501 ! multi-component food product property_value: http://purl.org/dc/elements/1.1/date 2019-11-15T23:19:38Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003297 name: turkey sausage def: "A sausage made from turkey meat" [] is_a: FOODON:00001286 ! turkey meat food product is_a: FOODON:00001605 ! animal product sausage property_value: http://purl.org/dc/elements/1.1/date 2019-11-16T06:20:41Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003318 name: echinoderm food product is_a: FOODON:00001293 ! shellfish food product intersection_of: FOODON:00001293 ! shellfish food product intersection_of: RO:0001000 FOODON:03412115 ! derives from echinoderm relationship: RO:0001000 FOODON:03412115 ! derives from echinoderm property_value: http://purl.org/dc/elements/1.1/date 2020-01-08T00:20:27Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003324 name: citrus fruit (whole) def: "A hesperidium fruit of a citrus plant (Citrus)." [] synonym: "citrus fruit" EXACT [] is_a: FOODON:00001151 ! citrus fruit food product is_a: PO:0030109 ! hesperidium fruit intersection_of: PO:0030109 ! hesperidium fruit intersection_of: PO:0030109 ! hesperidium fruit intersection_of: in_taxon NCBITaxon:2706 {all_some="true", all_only="true"} ! Citrus intersection_of: RO:0001000 NCBITaxon:2706 ! derives from Citrus relationship: in_taxon NCBITaxon:2706 ! Citrus relationship: RO:0001000 NCBITaxon:2706 ! derives from Citrus property_value: http://purl.org/dc/elements/1.1/date 2020-10-20T06:54:39 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003341 name: brassica food product def: "A genus of plants in the mustard family (Brassicaceae). The members of the genus are informally known as cruciferous vegetables, cabbages, or mustard plants." [] synonym: "bok choy vegetable food product" NARROW [] synonym: "bomdong vegetable food product" NARROW [] synonym: "broccolini vegetable food product" NARROW [] synonym: "chinese cabbage vegetable food product" NARROW [] synonym: "choy sum vegetable food product" NARROW [] synonym: "cole crop vegetable food product" RELATED [] synonym: "collard greens vegetable food product" NARROW [] synonym: "cruciferous vegetable food product" RELATED [] synonym: "gai lan vegetable food product" NARROW [] synonym: "komatsuna vegetable food product" NARROW [] synonym: "mizuna vegetable food product" NARROW [] synonym: "rutabaga vegetable food product" NARROW [] synonym: "savoy cabbage vegetable food product" NARROW [] synonym: "tatsoi vegetable food product" NARROW [] is_a: FOODON:00001169 ! cruciferous food product is_a: FOODON:00001261 ! vegetable food product relationship: in_taxon NCBITaxon:3705 ! Brassica relationship: RO:0001000 NCBITaxon:3705 ! derives from Brassica property_value: IAO:0000119 https://en.wikipedia.org/wiki/Brassica [Term] id: FOODON:00003349 name: white onion (whole, raw) def: "A cultivar of dry onion, that has a pure white papery skin and a sweet, mild white flesh." [] is_a: FOODON:00003518 ! white onion (whole) is_a: FOODON:03301704 ! onion (whole, raw) intersection_of: FOODON:00003518 ! white onion (whole) intersection_of: FOODON:03301704 ! onion (whole, raw) property_value: http://purl.org/dc/elements/1.1/date 2020-06-06T01:05:02Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 White:onion [Term] id: FOODON:00003368 name: food contact material def: "Food contact materials are materials that are intended to be in contact with food. These can be things that are quite obvious like a glass or a can for soft drinks as well as machinery in a food factory or a coffee machine." [] is_a: BFO:0000040 ! material entity property_value: http://purl.org/dc/elements/1.1/date 2020-07-31T17:07:09Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Food_contact_materials [Term] id: FOODON:00003395 name: multi-component wheat food product is_a: FOODON:03316579 ! multi-component plant food product relationship: RO:0001000 FOODON:03411312 ! derives from wheat plant property_value: http://purl.org/dc/elements/1.1/date 2020-09-06T15:59:54Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003397 name: ginkgo nut (whole) def: "A seed of a ginkgo plant (Ginkgo biloba)" [] synonym: "gingko nut" EXACT [] synonym: "ginkgo nut" EXACT [] is_a: FOODON:00001172 ! nut food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3311 {all_some="true", all_only="true"} ! Ginkgo biloba relationship: in_taxon NCBITaxon:3311 ! Ginkgo biloba property_value: http://purl.org/dc/elements/1.1/date 2020-09-06T20:07:44 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginkgo_biloba xsd:string [Term] id: FOODON:00003403 name: common bean (whole) def: "A seed of a common bean plant (Phaseolus vulgaris)." [] synonym: "common bean" EXACT [] is_a: FOODON:00001757 ! common bean food product is_a: FOODON:00002753 ! bean (whole) intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3885 {all_some="true", all_only="true"} ! Phaseolus vulgaris relationship: in_taxon NCBITaxon:3885 ! Phaseolus vulgaris property_value: http://purl.org/dc/elements/1.1/date 2020-09-08T18:42:03 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003405 name: broccoli floret (whole) def: "A raceme inflorescence of a broccoli plant(Brassica oleracea var. italica)." [] synonym: "broccoli" EXACT [] is_a: FOODON:00001666 ! broccoli food product is_a: PO:0030115 ! raceme inflorescence intersection_of: PO:0030115 ! raceme inflorescence intersection_of: in_taxon NCBITaxon:36774 ! Brassica oleracea var. italica relationship: in_taxon NCBITaxon:36774 ! Brassica oleracea var. italica property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T07:15:35 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003406 name: cabbage head def: "A rosette of a cabbage plant (Brassica oleracea var. capitata)." [] synonym: "cabbage" EXACT [] is_a: FOODON:00001677 ! cabbage head food product is_a: PO:0025615 ! rosette intersection_of: PO:0025615 ! rosette intersection_of: in_taxon NCBITaxon:3716 ! Brassica oleracea var. capitata relationship: in_taxon NCBITaxon:3716 ! Brassica oleracea var. capitata property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T07:20:47 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003408 name: carrot root (whole) def: "A primary root of a carrot plant (Daucus carota)." [] synonym: "carrot" EXACT [] is_a: FOODON:00002490 ! carrot root (whole or parts) is_a: PO:0020127 ! primary root intersection_of: PO:0020127 ! primary root intersection_of: in_taxon NCBITaxon:4039 {all_some="true", all_only="true"} ! Daucus carota relationship: in_taxon NCBITaxon:4039 ! Daucus carota property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T07:27:10 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003410 name: cauliflower floret (whole) def: "A raceme inflorescence of a cauliflower plant (Brassica oleracea var. botrytis)." [] synonym: "cauliflower" EXACT [] is_a: FOODON:00001703 ! cauliflower food product is_a: PO:0030115 ! raceme inflorescence intersection_of: PO:0030115 ! raceme inflorescence intersection_of: in_taxon NCBITaxon:3715 ! Brassica oleracea var. botrytis relationship: in_taxon NCBITaxon:3715 ! Brassica oleracea var. botrytis property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T07:39:07 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003412 name: sugar beet (whole) def: "A primary root of a sugar beet plant (Beta vulgaris subsp. vulgaris)." [] synonym: "sugar beet" EXACT [] is_a: FOODON:00002289 ! sugar beet food product is_a: PO:0020127 ! primary root intersection_of: PO:0020127 ! primary root intersection_of: in_taxon NCBITaxon:3555 ! Beta vulgaris subsp. vulgaris relationship: in_taxon NCBITaxon:3555 ! Beta vulgaris subsp. vulgaris property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T07:45:46 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003416 name: durum wheat kernel def: "A caryopsis fruit of a durum wheat plant (Triticum turgidum subsp. durum)." [] synonym: "durum wheat" EXACT [] synonym: "durum wheat seed" EXACT [] is_a: FOODON:00001825 ! durum wheat product catgeory is_a: FOODON:03315184 ! whole wheat kernel intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:4567 ! Triticum turgidum subsp. durum relationship: in_taxon NCBITaxon:4567 ! Triticum turgidum subsp. durum property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T14:22:09 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003417 name: grape (whole) def: "A berry fruit of a grape plant." [] synonym: "de-stemmed grape" EXACT [] synonym: "grape" EXACT [] is_a: FOODON:00001170 ! grape berry food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03411329 {all_some="true", all_only="true"} ! grape plant relationship: in_taxon FOODON:03411329 ! grape plant property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T14:38:33 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003427 name: maize kernel def: "A caryopsis fruit of a maize plant (Zea mays subsp. mays)." [] synonym: "corn kernel" EXACT [] is_a: FOODON:00001142 ! maize (corn) food product is_a: PO:0030104 ! caryopsis fruit intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:381124 ! Zea mays subsp. mays relationship: in_taxon NCBITaxon:381124 ! Zea mays subsp. mays property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T22:30:15 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003429 name: whole oats def: "A caryopsis fruit of an oat plant (Avena sativa)." [] synonym: "oats" EXACT [] is_a: FOODON:00001189 ! oat food product is_a: PO:0030104 ! caryopsis fruit intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:4498 {all_some="true", all_only="true"} ! Avena sativa relationship: in_taxon NCBITaxon:4498 ! Avena sativa property_value: http://purl.org/dc/elements/1.1/date 2020-09-09T22:33:32 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003433 name: raspberry (whole) def: "An aggregate fruit of a raspberry plant." [] synonym: "raspberry" EXACT [] is_a: FOODON:00002190 ! raspberry food product is_a: FOODON:00003477 ! drupelet berry intersection_of: FOODON:00003592 ! aggregate fruit intersection_of: in_taxon FOODON:03411494 {all_some="true", all_only="true"} ! raspberry plant relationship: in_taxon FOODON:03411494 ! raspberry plant property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T03:24:33 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003434 name: whole grain rice def: "A caryopsis fruit of a rice plant (Oryza sativa)." [] is_a: FOODON:03301641 ! rice kernel food product is_a: PO:0030104 ! caryopsis fruit intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:4530 {all_some="true", all_only="true"} ! Oryza sativa relationship: in_taxon NCBITaxon:4530 ! Oryza sativa property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T03:37:39 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003436 name: brown rice is_a: FOODON:00003434 ! whole grain rice property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T04:03:30Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003443 name: strawberry (whole) def: "An aggregate fruit of strawberry plant (Fragaria x ananassa)." [] synonym: "strawberry" EXACT [] is_a: FOODON:00002282 ! strawberry food product is_a: FOODON:00003592 ! aggregate fruit intersection_of: FOODON:00003592 ! aggregate fruit intersection_of: in_taxon NCBITaxon:3747 {all_some="true", all_only="true"} ! Fragaria x ananassa relationship: in_taxon NCBITaxon:3747 ! Fragaria x ananassa property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T04:57:07 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003445 name: sweet potato (whole) def: "A tuberous root tuber of a sweet potato plant (Ipomoea batatas)." [] synonym: "sweet potato" EXACT [] is_a: FOODON:00002297 ! sweet potato food product is_a: PO:0025476 ! tuberous root tuber is_a: PO:0025523 ! tuberous root intersection_of: PO:0025523 ! tuberous root intersection_of: in_taxon NCBITaxon:4120 {all_some="true", all_only="true"} ! Ipomoea batatas relationship: in_taxon NCBITaxon:4120 ! Ipomoea batatas property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T05:12:34 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T05:12:34Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003448 name: yam (whole) def: "A shoot axis tuber of a yam plant (Dioscorea)." [] synonym: "yam" EXACT [] is_a: FOODON:00002368 ! yam food product is_a: PO:0004543 ! shoot axis tuber intersection_of: PO:0004543 ! shoot axis tuber intersection_of: in_taxon NCBITaxon:4672 ! Dioscorea relationship: in_taxon NCBITaxon:4672 ! Dioscorea property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T05:45:46 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T05:45:46Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003449 name: coconut (whole) def: "A drupe fruit of a coconut palm tree (Cocos nucifera)." [] synonym: "coconut" EXACT [] is_a: FOODON:03309861 ! coconut (whole or parts) is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon NCBITaxon:13894 {all_some="true", all_only="true"} ! Cocos nucifera relationship: in_taxon NCBITaxon:13894 ! Cocos nucifera property_value: http://purl.org/dc/elements/1.1/date 2020-09-10T05:53:54 xsd:dateTime property_value: IAO:0000114 IAO:0000122 [Term] id: FOODON:00003460 name: food (pieces) def: "A food product which has been separated into pieces." [] is_a: FOODON:00002454 ! food product by quality property_value: http://purl.org/dc/elements/1.1/date 2020-10-12T07:07:16Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003473 name: salmon is_a: FOODON:00002220 ! salmon food product relationship: RO:0001000 NCBITaxon:8015 ! derives from Salmonidae property_value: http://purl.org/dc/elements/1.1/date 2020-10-26T19:03:11Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003476 name: apricot (whole) def: "A drupe fruit of an apricot tree (Prunus armeniaca)." [] synonym: "apricot" EXACT [] is_a: FOODON:00001615 ! apricot food product is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon NCBITaxon:36596 {all_some="true", all_only="true"} ! Prunus armeniaca relationship: in_taxon NCBITaxon:36596 ! Prunus armeniaca property_value: http://purl.org/dc/elements/1.1/date 2020-10-13T05:48:32 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003477 name: drupelet berry synonym: "berry" EXACT [] is_a: FOODON:00003026 ! drupelet berry food product is_a: FOODON:00003592 ! aggregate fruit property_value: http://purl.org/dc/elements/1.1/date 2020-10-27T04:10:23Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003483 name: plum (whole) def: "A drupe fruit of a plum plant." [] synonym: "plum" EXACT [] is_a: FOODON:00002161 ! plum fruit food product is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon FOODON:03411206 {all_some="true", all_only="true"} ! plum plant relationship: in_taxon FOODON:03411206 ! plum plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-13T05:48:32 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003485 name: sweet red bell pepper (whole) def: "A ripened red colored berry fruit of a bell pepper plant cultivar." [] synonym: "bell pepper" EXACT [] synonym: "capsicum" EXACT [] synonym: "pepper" EXACT [] synonym: "sweet pepper" EXACT [] synonym: "sweet red bell pepper" EXACT [] is_a: FOODON:00002191 ! red bell pepper food product is_a: FOODON:00003546 ! bell pepper (whole) intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03412630 {all_some="true", all_only="true"} ! red bell pepper plant relationship: in_taxon FOODON:03412630 ! red bell pepper plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T12:37:01 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003495 name: spinach leaf (whole) def: "A rosette leaf of a spinach plant (Spinacia oleracea)" [] synonym: "spinach leaf" EXACT [] is_a: FOODON:00002269 ! spinach food product is_a: FOODON:00003650 ! vegetable leaf (whole) is_a: PO:0000014 ! rosette leaf intersection_of: PO:0000014 ! rosette leaf intersection_of: in_taxon NCBITaxon:3562 {all_some="true", all_only="true"} ! Spinacia oleracea relationship: in_taxon NCBITaxon:3562 ! Spinacia oleracea property_value: http://purl.org/dc/elements/1.1/date 2020-10-29T16:54:15Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003496 name: spinach head def: "A rosette of a spinach plant (Spinacia oleracea)" [] synonym: "spinach" EXACT [] is_a: FOODON:00002269 ! spinach food product is_a: PO:0025615 ! rosette intersection_of: PO:0025615 ! rosette intersection_of: in_taxon NCBITaxon:3562 {all_some="true", all_only="true"} ! Spinacia oleracea relationship: in_taxon NCBITaxon:3562 ! Spinacia oleracea property_value: http://purl.org/dc/elements/1.1/date 2020-10-13T06:21:32 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2020-10-29T16:55:09Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003500 name: collard leaf (whole) def: "A rosette leaf of a collard plant (Brassica oleracea var. viridis)" [] synonym: "collard leaf" EXACT [] is_a: FOODON:00001755 ! collard food product is_a: FOODON:00003650 ! vegetable leaf (whole) is_a: PO:0000014 ! rosette leaf intersection_of: PO:0000014 ! rosette leaf intersection_of: in_taxon NCBITaxon:3713 ! Brassica oleracea var. viridis relationship: in_taxon NCBITaxon:3713 ! Brassica oleracea var. viridis property_value: http://purl.org/dc/elements/1.1/date 2020-10-30T00:54:20Z xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2020-11-11T11:02:45 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003501 name: kale leaf (whole) def: "A rosette leaf of a kale plant" [] synonym: "kale leaf" EXACT [] is_a: FOODON:00001981 ! kale food product is_a: FOODON:00003650 ! vegetable leaf (whole) is_a: PO:0000014 ! rosette leaf intersection_of: PO:0000014 ! rosette leaf intersection_of: in_taxon FOODON:03411281 {all_some="true", all_only="true"} ! kale plant intersection_of: in_taxon FOODON:03411281 {all_only="true"} ! kale plant relationship: in_taxon FOODON:03411281 ! kale plant property_value: http://purl.org/dc/elements/1.1/date 2020-11-11T11:02:45 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003504 name: collard head def: "A rosette of a collard plant (Brassica oleracea var. viridis)" [] synonym: "collard" EXACT [] is_a: FOODON:00001755 ! collard food product is_a: PO:0025615 ! rosette intersection_of: PO:0025615 ! rosette intersection_of: in_taxon NCBITaxon:3713 ! Brassica oleracea var. viridis relationship: in_taxon NCBITaxon:3713 ! Brassica oleracea var. viridis property_value: http://purl.org/dc/elements/1.1/date 2020-11-11T11:02:45 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003514 name: cabbage leaf (whole) def: "A rosette leaf of a cabbage plant (Brassica oleracea var. capitata)" [] synonym: "cabbage leaf" EXACT [] is_a: FOODON:00001677 ! cabbage head food product is_a: FOODON:00003650 ! vegetable leaf (whole) is_a: PO:0000014 ! rosette leaf intersection_of: PO:0000014 ! rosette leaf intersection_of: in_taxon NCBITaxon:3716 ! Brassica oleracea var. capitata relationship: in_taxon NCBITaxon:3716 ! Brassica oleracea var. capitata property_value: http://purl.org/dc/elements/1.1/date 2020-11-11T11:02:45 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003515 name: red onion (whole, raw) is_a: FOODON:00003516 ! red onion (whole) is_a: FOODON:03301704 ! onion (whole, raw) intersection_of: FOODON:00003516 ! red onion (whole) intersection_of: FOODON:03301704 ! onion (whole, raw) property_value: http://purl.org/dc/elements/1.1/date 2020-11-10T05:35:16Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003516 name: red onion (whole) def: "A bulb of a red onion plant cultivar" [] is_a: FOODON:03316347 ! onion (whole) property_value: http://purl.org/dc/elements/1.1/date 2020-11-10T05:35:57Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003517 name: yellow onion (whole) def: "A bulb of a yellow onion plant cultivar" [] is_a: FOODON:03316347 ! onion (whole) property_value: http://purl.org/dc/elements/1.1/date 2020-11-10T05:45:44Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003518 name: white onion (whole) def: "A bulb of a white onion plant cultivar" [] is_a: FOODON:03316347 ! onion (whole) property_value: http://purl.org/dc/elements/1.1/date 2020-11-10T05:49:20Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003520 name: pepper (whole) def: "A berry fruit of a pepper plant (Capsicum)" [] synonym: "pepper" EXACT [] synonym: "peppers" EXACT [] is_a: FOODON:00002111 ! pepper vegetable food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon NCBITaxon:4071 {all_some="true", all_only="true"} ! Capsicum relationship: in_taxon NCBITaxon:4071 ! Capsicum property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T02:39:11 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://www.britannica.com/plant/pepper-plant-Capsicum-genus xsd:string [Term] id: FOODON:00003521 name: berry (whole) def: "A juicy, rounded, brightly colored fruit without a stone or pit, though pips or seeds may be present." [] synonym: "berry" EXACT [] synonym: "common berry" EXACT [] is_a: FOODON:03315614 ! berry product is_a: PO:0009001 ! fruit intersection_of: PO:0009001 ! fruit intersection_of: in_taxon FOODON:03411231 {all_some="true", all_only="true"} ! berry plant relationship: in_taxon FOODON:03411231 ! berry plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-23T09:28:05 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Berry xsd:string [Term] id: FOODON:00003523 name: almond (whole) def: "A drupe fruit of an almond plant (Prunus dulcis)." [] is_a: FOODON:00001587 ! almond food product is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon NCBITaxon:3755 {all_some="true", all_only="true"} ! Prunus dulcis relationship: in_taxon NCBITaxon:3755 ! Prunus dulcis property_value: http://purl.org/dc/elements/1.1/date 2020-11-28T11:27:21 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Almond xsd:string [Term] id: FOODON:00003530 name: chard leaf (whole) def: "A rosette leaf of a chard plant (Beta vulgaris subsp. vulgaris)." [] synonym: "chard leaf" EXACT [] is_a: FOODON:00002498 ! chard food product is_a: FOODON:00003650 ! vegetable leaf (whole) property_value: http://purl.org/dc/elements/1.1/date 2020-11-11T11:02:45 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003539 name: squash (whole) def: "A pepo fruit varietal of a squash plant (Cucurbita)." [] synonym: "squash" EXACT [] is_a: FOODON:00002271 ! squash food product is_a: PO:0030111 ! pepo fruit intersection_of: PO:0030111 ! pepo fruit intersection_of: in_taxon NCBITaxon:3660 {all_some="true", all_only="true"} ! Cucurbita relationship: in_taxon NCBITaxon:3660 ! Cucurbita property_value: http://purl.org/dc/elements/1.1/date 2020-10-20T12:01:59 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cucurbita xsd:string [Term] id: FOODON:00003541 name: blueberry (whole) def: "A berry fruit of a blueberry plant." [] synonym: "blueberry" EXACT [] is_a: FOODON:00001656 ! blueberry food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03411491 {all_some="true", all_only="true"} ! blueberry plant relationship: in_taxon FOODON:03411491 ! blueberry plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-19T03:43:49 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Blueberry xsd:string [Term] id: FOODON:00003546 name: bell pepper (whole) def: "A berry fruit in the Grossum cultivar group of a bell pepper plant." [] synonym: "bell pepper" EXACT [] synonym: "capsicum" EXACT [] synonym: "pepper" EXACT [] synonym: "sweet pepper" EXACT [] is_a: FOODON:00003013 ! bell pepper food product is_a: FOODON:00003520 ! pepper (whole) intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03412628 {all_some="true", all_only="true"} ! bell pepper plant relationship: in_taxon FOODON:03412628 ! bell pepper plant property_value: http://purl.org/dc/elements/1.1/date 2020-11-19T01:08:58Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003547 name: sweet green bell pepper (whole) def: "An immature green colored berry fruit of a bell pepper plant cultivar." [] synonym: "bell pepper" EXACT [] synonym: "capsicum" EXACT [] synonym: "pepper" EXACT [] synonym: "sweet green pepper" EXACT [] synonym: "sweet pepper" EXACT [] is_a: FOODON:00001935 ! green bell pepper food product is_a: FOODON:00003546 ! bell pepper (whole) intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03412629 {all_some="true", all_only="true"} ! green bell pepper plant relationship: in_taxon FOODON:03412629 ! green bell pepper plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T07:08:14 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003548 name: sweet yellow bell pepper (whole) def: "A mature yellow colored berry fruit of a bell pepper plant cultivar." [] synonym: "bell pepper" EXACT [] synonym: "capsicum" EXACT [] synonym: "pepper" EXACT [] synonym: "sweet pepper" EXACT [] synonym: "sweet yellow pepper" EXACT [] is_a: FOODON:00003546 ! bell pepper (whole) intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon FOODON:03412631 {all_some="true", all_only="true"} ! yellow bell pepper plant relationship: in_taxon FOODON:03412631 ! yellow bell pepper plant property_value: http://purl.org/dc/elements/1.1/date 2020-11-19T01:24:18Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003554 name: grapefruit (whole) def: "A hesperidium fruit of a grapefruit tree (Citrus x paradisi)." [] synonym: "grapefruit" EXACT [] is_a: FOODON:00001929 ! grapefruit food product is_a: FOODON:00003324 ! citrus fruit (whole) intersection_of: PO:0030109 ! hesperidium fruit intersection_of: in_taxon NCBITaxon:37656 {all_some="true", all_only="true"} ! Citrus x paradisi relationship: in_taxon NCBITaxon:37656 ! Citrus x paradisi property_value: http://purl.org/dc/elements/1.1/date 2020-10-19T12:18:26 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Hesperidium xsd:string [Term] id: FOODON:00003567 name: tropical fruit (whole) def: "A fruit of a tropical or subtropical fruit producing plant." [] synonym: "tropical fruit" EXACT [] is_a: FOODON:00002689 ! tropical fruit food product is_a: PO:0009001 ! fruit intersection_of: PO:0009001 ! fruit intersection_of: in_taxon FOODON:03411024 {all_some="true", all_only="true"} ! tropical or subtropical fruit producing plant relationship: in_taxon FOODON:03411024 ! tropical or subtropical fruit producing plant property_value: http://purl.org/dc/elements/1.1/date 2020-10-19T12:01:19 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/List_of_culinary_fruits#Tropical_fruits xsd:string [Term] id: FOODON:00003575 name: Williams pear (whole) def: "A pome fruit of a williams bon chrétien pear plant, cultivar of a common pear." [] synonym: "Bartlett pear" EXACT [] synonym: "Williams pear" EXACT [] synonym: "Williams' Bon Chrétien pear" EXACT [] is_a: FOODON:00003576 ! common pear (whole) intersection_of: PO:0030110 ! pome fruit intersection_of: in_taxon FOODON:00002842 ! Williams bon chrétien pear plant relationship: in_taxon FOODON:00002842 ! Williams bon chrétien pear plant property_value: http://purl.org/dc/elements/1.1/date 2020-11-30T13:17:20 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Williams_pear xsd:string [Term] id: FOODON:00003576 name: common pear (whole) def: "A pome fruit of a common pear plant (Pyrus communis)" [] synonym: "european pear" EXACT [] is_a: FOODON:00003041 ! pear (whole) intersection_of: PO:0030110 ! pome fruit intersection_of: in_taxon NCBITaxon:23211 {all_some="true", all_only="true"} ! Pyrus communis relationship: in_taxon NCBITaxon:23211 ! Pyrus communis property_value: http://purl.org/dc/elements/1.1/date 2020-12-16T21:03:04Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Pyrus_communis xsd:string [Term] id: FOODON:00003577 name: cantaloupe (whole) def: "A pepo fruit of a cantaloupe plant (Cucumis melo var. cantalupo)." [] is_a: FOODON:00001288 ! cantaloupe fruit food product is_a: FOODON:00003596 ! muskmelon (whole) intersection_of: PO:0030111 ! pepo fruit intersection_of: in_taxon NCBITaxon:3658 ! Cucumis melo var. cantalupo relationship: in_taxon NCBITaxon:3658 ! Cucumis melo var. cantalupo property_value: http://purl.org/dc/elements/1.1/date 2020-11-27T07:15:01 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003592 name: aggregate fruit def: "A fruit that develops from the merger of several ovaries that were separated in a single flower." [] synonym: "etaerio" EXACT [] is_a: PO:0009001 ! fruit property_value: http://purl.org/dc/elements/1.1/date 2020-12-17T03:02:14Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Aggregate:fruit [Term] id: FOODON:00003596 name: muskmelon (whole) def: "A pepo fruit of a muskmelon plant (Cucumis melo )" [] is_a: FOODON:00001153 ! muskmelon (Cucumis melo) fruit food product is_a: FOODON:00003597 ! melon (whole) intersection_of: PO:0030111 ! pepo fruit intersection_of: in_taxon NCBITaxon:3656 {all_some="true", all_only="true"} ! Cucumis melo relationship: in_taxon NCBITaxon:3656 ! Cucumis melo property_value: http://purl.org/dc/elements/1.1/date 2021-02-10T22:30:53Z xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2021-02-10T22:37:02 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Muskmelon xsd:string [Term] id: FOODON:00003597 name: melon (whole) def: "A pepo fruit of a melon plant." [] synonym: "melon" EXACT [] is_a: FOODON:00001152 ! melon fruit food product is_a: PO:0030111 ! pepo fruit relationship: in_taxon NCBITaxon:3650 ! Cucurbitaceae property_value: http://purl.org/dc/elements/1.1/date 2021-02-10T22:34:05 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Melon xsd:string [Term] id: FOODON:00003600 name: avocado (whole) def: "A berry fruit of an avocado plant (Persea americana)" [] synonym: "avocado" EXACT [] is_a: FOODON:00001625 ! avocado food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon NCBITaxon:3435 {all_some="true", all_only="true"} ! Persea americana relationship: in_taxon NCBITaxon:3435 ! Persea americana property_value: http://purl.org/dc/elements/1.1/date 2021-02-10T22:52:57 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Avocado xsd:string [Term] id: FOODON:00003615 name: cashew nut (whole) def: "A nut fruit from a cashew tree (Anacardium occidentale)" [] synonym: "cashew nut" EXACT [] is_a: FOODON:00001688 ! cashew nut food product is_a: PO:0030102 ! nut fruit intersection_of: PO:0030102 ! nut fruit intersection_of: in_taxon NCBITaxon:171929 {all_some="true", all_only="true"} ! Anacardium occidentale relationship: in_taxon NCBITaxon:171929 ! Anacardium occidentale property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T00:56:37Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cashew xsd:string [Term] id: FOODON:00003618 name: eggplant (whole) def: "A berry fruit of an eggplant (Solanum melongena)" [] synonym: "aubergine" EXACT [] synonym: "brinjal" EXACT [] synonym: "egg plant" EXACT [] synonym: "eggplant" EXACT [] is_a: FOODON:00001830 ! eggplant food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon NCBITaxon:4111 {all_some="true", all_only="true"} ! Solanum melongena relationship: in_taxon NCBITaxon:4111 ! Solanum melongena property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T01:05:15 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Eggplant xsd:string [Term] id: FOODON:00003630 name: bean leaf (whole) def: "A leaf of a bean plant." [] synonym: "bean leaf" EXACT [] is_a: FOODON:00002143 ! plant leaf vegetable food product is_a: FOODON:00003650 ! vegetable leaf (whole) intersection_of: PO:0025034 ! leaf intersection_of: in_taxon FOODON:03411567 {all_some="true", all_only="true"} ! bean plant relationship: in_taxon FOODON:03411567 ! bean plant property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T01:48:48 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003631 name: swiss chard leaf (whole) def: "A rosette leaf of a swiss chard plant (Beta vulgaris subsp. vulgaris)." [] synonym: "swiss chard leaf" EXACT [] is_a: FOODON:00003530 ! chard leaf (whole) property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T01:50:09 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003633 name: beet leaf (whole) def: "A leaf of a beet plant." [] synonym: "beet leaf" EXACT [] synonym: "beetroot leaf" EXACT [] is_a: FOODON:00001638 ! beet food product is_a: FOODON:00003650 ! vegetable leaf (whole) intersection_of: PO:0025034 ! leaf intersection_of: in_taxon NCBITaxon:161934 {all_some="true", all_only="true"} ! Beta vulgaris relationship: in_taxon NCBITaxon:161934 ! Beta vulgaris property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T01:59:10 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Beetroot xsd:string [Term] id: FOODON:00003634 name: cauliflower leaf (whole) def: "A rosette leaf of a cauliflower plant (Brassica oleracea var. botrytis)" [] synonym: "cauliflower leaf" EXACT [] is_a: FOODON:00001703 ! cauliflower food product is_a: FOODON:00003650 ! vegetable leaf (whole) is_a: PO:0000014 ! rosette leaf intersection_of: PO:0000014 ! rosette leaf intersection_of: in_taxon NCBITaxon:3715 ! Brassica oleracea var. botrytis relationship: in_taxon NCBITaxon:3715 ! Brassica oleracea var. botrytis property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T02:00:16 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003637 name: grape leaf (whole) def: "A leaf of a grape plant." [] synonym: "grape leaf" EXACT [] is_a: FOODON:00001170 ! grape berry food product is_a: PO:0025034 ! leaf intersection_of: PO:0025034 ! leaf intersection_of: in_taxon FOODON:03411329 {all_some="true", all_only="true"} ! grape plant relationship: in_taxon FOODON:03411329 ! grape plant property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T02:02:32 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003650 name: vegetable leaf (whole) def: "A leaf of a vegetable-producing plant." [] is_a: FOODON:03315308 ! vegetable (whole or parts) is_a: PO:0025034 ! leaf intersection_of: PO:0025034 ! leaf intersection_of: in_taxon FOODON:03411579 ! vegetable-producing plant relationship: in_taxon FOODON:03411579 ! vegetable-producing plant property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T02:40:22 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003673 name: watermelon (whole) def: "A pepo fruit of a watermelon plant (Citrullus lanatus subsp. vulgaris)." [] synonym: "watermelon" EXACT [] is_a: FOODON:00002343 ! watermelon food product is_a: PO:0030111 ! pepo fruit intersection_of: PO:0030111 ! pepo fruit intersection_of: in_taxon NCBITaxon:260674 ! Citrullus lanatus subsp. vulgaris relationship: in_taxon NCBITaxon:260674 ! Citrullus lanatus subsp. vulgaris property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T03:27:17 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Watermelon xsd:string [Term] id: FOODON:00003683 name: flaxseed (whole) def: "A seed of a flax plant (Linum usitatissimum)." [] synonym: "flaxseed" EXACT [] synonym: "linseed" EXACT [] is_a: FOODON:00001859 ! flaxseed food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:4006 {all_some="true", all_only="true"} ! Linum usitatissimum relationship: in_taxon NCBITaxon:4006 ! Linum usitatissimum property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T03:35:50 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Flax xsd:string [Term] id: FOODON:00003717 name: ginger root (whole) def: "A root of a ginger plant (Zingiber officinale)" [] synonym: "elephant ginger" EXACT [] synonym: "elephant ginger root" EXACT [] synonym: "ginger" EXACT [] synonym: "ginger root" EXACT [] is_a: FOODON:00002718 ! ginger root is_a: PO:0009005 ! root intersection_of: PO:0009005 ! root intersection_of: in_taxon NCBITaxon:94328 {all_some="true", all_only="true"} ! Zingiber officinale relationship: in_taxon NCBITaxon:94328 ! Zingiber officinale property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T17:33:19 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginger xsd:string [Term] id: FOODON:00003718 name: ginseng root (whole) def: "A root of a ginseng plant" [] synonym: "ginseng" BROAD [] synonym: "ginseng root" EXACT [] is_a: FOODON:00001905 ! ginseng plant food product is_a: PO:0009005 ! root intersection_of: PO:0009005 ! root intersection_of: in_taxon NCBITaxon:4053 {all_some="true", all_only="true"} ! Panax relationship: in_taxon NCBITaxon:4053 ! Panax property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T17:39:12 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginseng xsd:string [Term] id: FOODON:00003774 name: oat bran def: "Seed bran of an oat plant (Avena sativa)" [] is_a: FOODON:00001189 ! oat food product is_a: FOODON:03420288 ! seed bran intersection_of: FOODON:03420288 ! seed bran intersection_of: in_taxon NCBITaxon:4498 ! Avena sativa relationship: in_taxon NCBITaxon:4498 ! Avena sativa property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T23:24:13 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003787 name: white rice (whole) synonym: "milled white rice" EXACT [] synonym: "white rice" EXACT [] is_a: FOODON:03307147 ! rice (milled) is_a: FOODON:03420208 ! seed, skin removed, germ removed (endosperm) property_value: http://purl.org/dc/elements/1.1/date 2021-02-11T23:53:40Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003794 name: dill seed (whole) def: "A seed of a dill plant (Anethum graveolens)." [] synonym: "dill seed" EXACT [] is_a: FOODON:00001811 ! dill food product is_a: FOODON:00003774 ! oat bran is_a: PO:0009010 ! seed intersection_of: FOODON:03420288 ! seed bran intersection_of: in_taxon NCBITaxon:4498 {all_some="true", all_only="true"} ! Avena sativa property_value: http://purl.org/dc/elements/1.1/date 2021-02-12T17:29:33 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Dill xsd:string [Term] id: FOODON:00003816 name: vegetable (whole) def: "An anatomical part of a plant that is consumed by humans or other animals as food." [] is_a: FOODON:03315308 ! vegetable (whole or parts) is_a: PO:0025496 ! multi-tissue plant structure property_value: http://purl.org/dc/elements/1.1/date 2021-02-12T18:49:32 xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Vegetable xsd:string [Term] id: FOODON:00003866 name: cashew milk def: "Cashew milk is a manufactured, nondairy beverage made from water-based cashew extract for flavouring and aroma." [] synonym: "cashew mylk" EXACT [] is_a: FOODON:00001688 ! cashew nut food product property_value: http://purl.org/dc/elements/1.1/date 2021-05-21T10:30:10Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-9578-0788 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Plant_milk#Nut_milk xsd:anyURI [Term] id: FOODON:00003903 name: Actaea racemosa root (whole) def: "A root of a black cohosh plant" [] synonym: "Actaea racemosa root" EXACT [] synonym: "black cohost root" EXACT [] is_a: PO:0009005 ! root intersection_of: PO:0009005 ! root intersection_of: in_taxon NCBITaxon:64040 {all_some="true", all_only="true"} ! Actaea racemosa relationship: in_taxon NCBITaxon:64040 ! Actaea racemosa property_value: http://purl.org/dc/elements/1.1/date 2021-07-22T17:39:12 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2021-08-18T20:11:32Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Actaea_racemosa xsd:string [Term] id: FOODON:00003904 name: Ginkgo biloba leaf (whole) def: "A leaf of a ginkgo plant (Ginkgo biloba)" [] synonym: "ginkgo biloba leaf" EXACT [] synonym: "ginkgo leaf" EXACT [] is_a: PO:0025034 ! leaf intersection_of: PO:0025034 ! leaf intersection_of: in_taxon NCBITaxon:3311 {all_some="true", all_only="true"} ! Ginkgo biloba relationship: in_taxon NCBITaxon:3311 ! Ginkgo biloba property_value: http://purl.org/dc/elements/1.1/date 2021-07-22T17:39:12 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2021-08-18T20:12:43Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginkgo_biloba xsd:string [Term] id: FOODON:00003905 name: Silybum marianum seed (whole) def: "A seed of a milk thistle plant (Silybum marianum)." [] synonym: "milk thistle seed" EXACT [] is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:92921 {all_some="true", all_only="true"} ! Silybum marianum relationship: in_taxon NCBITaxon:92921 ! Silybum marianum property_value: http://purl.org/dc/elements/1.1/date 2021-07-22T17:39:12 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2021-08-18T20:13:58Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Silybum_marianum xsd:string [Term] id: FOODON:00003906 name: Hypericum perforatum flower (whole) def: "A flower bud of a St. John's wort plant (Hypericum perforatum)." [] synonym: "St. John's wort flower" EXACT [] is_a: PO:0000056 ! flower bud intersection_of: PO:0000056 ! flower bud intersection_of: in_taxon NCBITaxon:65561 {all_some="true", all_only="true"} ! Hypericum perforatum relationship: in_taxon NCBITaxon:65561 ! Hypericum perforatum property_value: http://purl.org/dc/elements/1.1/date 2021-07-22T17:39:12 xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2021-08-18T20:15:19Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Hypericum_perforatum xsd:string [Term] id: FOODON:00003908 name: spinach (cooked) def: "The spinach material output of a cooking process." [] is_a: FOODON:00001181 ! food (cooked) is_a: FOODON:00002269 ! spinach food product intersection_of: FOODON:00001181 ! food (cooked) intersection_of: FOODON:00002269 ! spinach food product property_value: http://purl.org/dc/elements/1.1/date 2021-08-31T02:10:31Z xsd:dateTime property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 property_value: IAO:0000117 IAO:0000122 [Term] id: FOODON:00003923 name: whole grain bread def: "A bread food product made substantially from whole grains." [] is_a: FOODON:00001183 ! bread food product intersection_of: FOODON:00001183 ! bread food product intersection_of: FOODON:00001563 FOODON:00003950 ! has defining ingredient whole grain relationship: FOODON:00001563 FOODON:00003950 ! has defining ingredient whole grain property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T05:30:11Z xsd:dateTime property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 property_value: IAO:0000119 https://wholegrainscouncil.org/definition-whole-grain [Term] id: FOODON:00003938 name: whole oat bread def: "A whole grain bread that contains whole oats (Avena sativa)." [] is_a: FOODON:00003923 ! whole grain bread intersection_of: FOODON:00003923 ! whole grain bread intersection_of: FOODON:00001563 FOODON:03315188 ! has defining ingredient oat kernel relationship: FOODON:00001563 FOODON:03315188 ! has defining ingredient oat kernel property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T05:37:09Z xsd:dateTime property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 property_value: IAO:0000117 IAO:0000122 [Term] id: FOODON:00003939 name: diet soft drink (caffeinated) def: "A soft drink that is sweetened by a nonnutritive sweetener and contains caffeine." [] synonym: "caffeinated diet pop" EXACT [] synonym: "caffeinated diet soda" EXACT [] is_a: FOODON:00003940 ! soft drink (caffeinated) is_a: FOODON:03310547 ! soft drink (dietetic) intersection_of: FOODON:03310547 ! soft drink (dietetic) intersection_of: FOODON:00002420 CHEBI:27732 ! has ingredient caffeine intersection_of: has_part CHEBI:27732 ! caffeine property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T05:52:08Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 xsd:string [Term] id: FOODON:00003940 name: soft drink (caffeinated) def: "A soft drink that contains caffeine." [] synonym: "caffeinated pop" EXACT [] synonym: "caffeinated soda" EXACT [] is_a: FOODON:03310815 ! soft drink intersection_of: FOODON:03310815 ! soft drink intersection_of: FOODON:00002420 CHEBI:27732 ! has ingredient caffeine intersection_of: has_part CHEBI:27732 ! caffeine relationship: FOODON:00002420 CHEBI:27732 ! has ingredient caffeine relationship: has_part CHEBI:27732 ! caffeine property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T05:57:27Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003941 name: tea (liquid, decafeinated) is_a: FOODON:00001245 ! tea beverage (liquid) intersection_of: FOODON:00001245 ! tea beverage (liquid) intersection_of: FOODON:00001563 FOODON:03312068 ! has defining ingredient tea (decaffeinated) relationship: FOODON:00001563 FOODON:03312068 ! has defining ingredient tea (decaffeinated) property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T06:05:45Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "A liquid tea beverage that does not contain caffeine." xsd:string property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003942 name: tea (liquid, caffeinated) is_a: FOODON:00001245 ! tea beverage (liquid) intersection_of: FOODON:00001245 ! tea beverage (liquid) intersection_of: FOODON:00002420 CHEBI:27732 ! has ingredient caffeine intersection_of: has_part CHEBI:27732 ! caffeine relationship: FOODON:00002420 CHEBI:27732 ! has ingredient caffeine relationship: has_part CHEBI:27732 ! caffeine property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T06:10:18Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00003943 name: coffee (liquid, decafeinated) def: "A liquid coffee beverage that is brewed from roasted, decaffeinated coffee beans." [] is_a: FOODON:03301036 ! coffee (liquid drink) intersection_of: FOODON:03301036 ! coffee (liquid drink) intersection_of: FOODON:00001563 FOODON:03316937 ! has defining ingredient coffee bean (decaffeinated, roasted) relationship: FOODON:00001563 FOODON:03316937 ! has defining ingredient coffee bean (decaffeinated, roasted) property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T07:54:36Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003944 name: dairy-based coffee drink def: "A prepared coffee beverage in which the majority of the beverage volume is composed of mammalian milk or a milk component." [] is_a: FOODON:00001244 ! coffee beverage intersection_of: FOODON:00001244 ! coffee beverage intersection_of: FOODON:00001563 FOODON:03420113 ! has defining ingredient mammalian milk or milk component relationship: FOODON:00001563 FOODON:03420113 ! has defining ingredient mammalian milk or milk component property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T07:57:54Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003945 name: cow milk cheese (nonfat) def: "Cow milk cheese which is a result of fat removal." [] is_a: FOODON:00001127 ! cow milk cheese intersection_of: FOODON:00001127 ! cow milk cheese intersection_of: output_of FOODON:03460248 ! full fat removal process relationship: output_of FOODON:03460248 ! full fat removal process property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T08:07:42Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003946 name: winter squash (whole) def: "A pepo fruit of a winter squash plant harvested in the fall." [] synonym: "winter squash" EXACT [] is_a: FOODON:00003539 ! squash (whole) intersection_of: FOODON:00003539 ! squash (whole) intersection_of: in_taxon FOODON:03411189 {all_some="true", all_only="true"} ! winter squash plant relationship: in_taxon FOODON:03411189 ! winter squash plant property_value: http://purl.org/dc/elements/1.1/date 2021-07-22T17:39:12 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Winter_squash xsd:string [Term] id: FOODON:00003947 name: sucralose-based sweetener def: "A sweetener (table-top)' which contains sucralose." [] synonym: "Splenda" NARROW [] is_a: FOODON:03315702 ! sweetener (table-top) intersection_of: FOODON:03315702 ! sweetener (table-top) intersection_of: has_part CHEBI:32159 ! sucralose relationship: has_part CHEBI:32159 ! sucralose property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T08:24:35Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003948 name: aspartame-based sweetener def: "A sweetener that includes the nonnutritive sweetener aspartame." [] synonym: "Equal" NARROW [] synonym: "NutraSweet" NARROW [] is_a: FOODON:03315702 ! sweetener (table-top) intersection_of: FOODON:03315702 ! sweetener (table-top) intersection_of: has_part CHEBI:2877 ! aspartame relationship: has_part CHEBI:2877 ! aspartame property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T08:25:51Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003949 name: saccharin-based sweetener def: "A sweetener that includes the nonnutritive sweetener saccharin." [] synonym: "Sweet'N Low" NARROW [] is_a: FOODON:03315702 ! sweetener (table-top) intersection_of: FOODON:03315702 ! sweetener (table-top) intersection_of: has_part CHEBI:32111 ! saccharin relationship: has_part CHEBI:32111 ! saccharin property_value: http://purl.org/dc/elements/1.1/date 2021-09-01T08:26:52Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 https://orcid.org/0000-0002-7463-6306 [Term] id: FOODON:00003950 name: whole grain def: "A seed from a cereal or pseudocereal plant which has a germ (embryo), endosperm, and bran (pericarp, seed coat, and aleurone) part." [] comment: From https://wholegrainscouncil.org/definition-whole-grain: "Whole grains or foods made from them contain all the essential parts and naturally-occurring nutrients of the entire grain seed in their original proportions. If the grain has been processed (e.g., cracked, crushed, rolled, extruded, and/or cooked), the food product should deliver the same rich balance of nutrients that are found in the original grain seed. [...] This definition means that 100% of the original kernel – all of the bran, germ, and endosperm - must be present to qualify as a whole grain. synonym: "whole grain" BROAD [] is_a: PO:0009010 ! seed property_value: http://purl.org/dc/elements/1.1/date 2021-09-02T21:11:54Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Whole_grain xsd:string property_value: seeAlso https://wholegrainscouncil.org/definition-whole-grain xsd:string [Term] id: FOODON:00004100 name: food material by component concentration def: "A food material class referenced by the concentration of some component" [] is_a: FOODON:00002403 ! food material intersection_of: FOODON:00002403 ! food material intersection_of: has_quality PATO:0000033 ! concentration of relationship: has_quality PATO:0000033 ! concentration of property_value: http://purl.org/dc/elements/1.1/date 2021-12-22T03:49:07Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004101 name: high mercury food material def: "A food material with an above average methylmercury concentration." [] is_a: FOODON:00004100 ! food material by component concentration property_value: http://purl.org/dc/elements/1.1/date 2021-12-22T03:55:01Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004102 name: high fructose food material def: "A food material with an above average fructose concentration." [] is_a: FOODON:00004100 ! food material by component concentration property_value: http://purl.org/dc/elements/1.1/date 2021-12-22T03:55:24Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004103 name: high fibre food material def: "A food material with an above average fibre concentration." [] is_a: FOODON:00004100 ! food material by component concentration property_value: http://purl.org/dc/elements/1.1/date 2021-12-22T03:55:39Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004178 name: salmon (whole, raw) is_a: FOODON:00003473 ! salmon is_a: FOODON:03306429 ! meat (raw) intersection_of: FOODON:00003473 ! salmon intersection_of: FOODON:03311126 ! food (raw) property_value: http://purl.org/dc/elements/1.1/date 2022-02-01T05:16:37Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004183 name: banana (whole) def: "A berry fruit from a banana tree (genus Musa)." [] is_a: FOODON:00001628 ! banana food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon NCBITaxon:4640 ! Musa relationship: in_taxon NCBITaxon:4640 ! Musa property_value: http://purl.org/dc/elements/1.1/date 2022-02-01T07:59:35Z xsd:dateTime property_value: http://purl.org/dc/elements/1.1/date 2022-02-10T21:11:54Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Banana xsd:string [Term] id: FOODON:00004242 name: animal food product def: "A food product deriving from one or more animals." [] is_a: FOODON:00002381 ! food product by organism property_value: http://purl.org/dc/elements/1.1/date 2022-09-01T16:31:09Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 [Term] id: FOODON:00004298 name: poultry def: "A domesticated bird that is kept by humans for its eggs, meat or feathers." [] is_a: FOODON:03411563 ! poultry or game bird property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: http://purl.org/dc/elements/1.1/date 2022-08-25T10:01:00Z xsd:dateTime property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-9578-0788 property_value: IAO:0000112 "Chickens, turkeys, quail, ducks, and geese are only called poultry if they aren't reared in the wild." xsd:string [Term] id: FOODON:03000045 name: broccoli leaf (whole) def: "A leaf of a broccoli plant (Brassica oleracea var. italica)." [] synonym: "broccoli leaf" EXACT [] is_a: FOODON:00001666 ! broccoli food product is_a: FOODON:00003650 ! vegetable leaf (whole) intersection_of: PO:0025034 ! leaf intersection_of: in_taxon NCBITaxon:36774 ! Brassica oleracea var. italica relationship: in_taxon NCBITaxon:36774 ! Brassica oleracea var. italica property_value: http://purl.org/dc/elements/1.1/date 2022-03-14T14:30:23Z xsd:dateTime property_value: IAO:0000119 https://en.wikipedia.org/wiki/Broccoli xsd:string [Term] id: FOODON:03000132 name: sweet potato leaf (whole) def: "A leaf of a sweet potato plant (Ipomoea batatas)." [] is_a: FOODON:00003650 ! vegetable leaf (whole) intersection_of: PO:0025034 ! leaf intersection_of: in_taxon NCBITaxon:4120 {all_some="true", all_only="true"} ! Ipomoea batatas relationship: in_taxon NCBITaxon:4120 ! Ipomoea batatas property_value: http://purl.org/dc/elements/1.1/date 2022-04-06T20:50:09Z xsd:dateTime property_value: IAO:0000119 https://en.wikipedia.org/wiki/Sweet_potato xsd:string [Term] id: FOODON:03000173 name: ginger leaf (whole) def: "A leaf of a ginger plant (Zingiber officinale)." [] is_a: FOODON:00001901 ! ginger food product is_a: PO:0025034 ! leaf intersection_of: PO:0025034 ! leaf intersection_of: in_taxon NCBITaxon:94328 {all_some="true", all_only="true"} ! Zingiber officinale relationship: in_taxon NCBITaxon:94328 ! Zingiber officinale [Term] id: FOODON:03000218 name: almond (whole or parts) def: "A whole almond or some substance made from a processed almond." [] synonym: "almond" EXACT [] is_a: FOODON:00001587 ! almond food product [Term] id: FOODON:03000219 name: ginger leaf (whole or parts) def: "A whole ginger leaf or some substance made from a processed ginger leaf." [] synonym: "ginger leaf" EXACT [] is_a: FOODON:00001901 ! ginger food product property_value: http://purl.org/dc/elements/1.1/date 2022-04-13T09:40:25Z xsd:dateTime property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginger xsd:string [Term] id: FOODON:03000220 name: ginger root (whole or parts) def: "A whole ginger root or some substance made from a processed ginger root." [] synonym: "ginger" EXACT [] synonym: "ginger root" EXACT [] is_a: FOODON:00001901 ! ginger food product property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginger xsd:string [Term] id: FOODON:03000227 name: tomato (whole or parts) def: "A whole tomato or some substance made from a processed tomato." [] synonym: "tomato" EXACT [] is_a: FOODON:00001164 ! tomato food product property_value: http://purl.org/dc/elements/1.1/date 2022-04-13T12:27:40Z xsd:dateTime property_value: IAO:0000119 https://en.wikipedia.org/wiki/Tomato xsd:string [Term] id: FOODON:03000243 name: cantaloupe (whole or parts) def: "A whole cantaloupe or some substance made from a processed cantaloupe." [] synonym: "cantaloupe" EXACT [] synonym: "rockmelon" EXACT [] synonym: "spanspek" EXACT [] synonym: "sweet melon" EXACT [] is_a: FOODON:00001288 ! cantaloupe fruit food product [Term] id: FOODON:03000245 name: soybean (whole or parts) def: "A whole soybean or some substance made from a processed soybean." [] synonym: "soybean" EXACT [] is_a: FOODON:00002266 ! soybean food product [Term] id: FOODON:03000433 name: squash (whole or parts) def: "A whole squash or some substance made from a processed squash." [] is_a: FOODON:00002271 ! squash food product [Term] id: FOODON:03301005 name: spaghetti macaroni comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren synonym: "spaghetti" EXACT [] xref: SUBSET_SIREN:F1005 is_a: FOODON:00001211 ! pasta food product relationship: RO:0002350 FOODON:03400275 ! member of macaroni or noodle product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301034 name: citrus honey comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'honey' (http://purl.obolibrary.org/obo/UBERON_0036016)\n subset: subset_siren xref: SUBSET_SIREN:F1034 is_a: FOODON:00001015 ! plant food product is_a: FOODON:00001178 ! honey food product intersection_of: FOODON:00001178 ! honey food product intersection_of: RO:0001000 FOODON:03411139 ! derives from citrus family relationship: RO:0001000 FOODON:03411139 ! derives from citrus family property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301036 name: coffee (liquid drink) comment: SIREN DB annotation:\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n* formed as a result of 'roasting seed process' (http://purl.obolibrary.org/obo/FOODON_03460391)\n subset: subset_siren synonym: "coffee" EXACT [] xref: SUBSET_SIREN:F1036 is_a: FOODON:00001244 ! coffee beverage relationship: RO:0002350 FOODON:03400268 ! member of steeped beverage (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301040 name: watermelon (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "watermelon" EXACT [] xref: SUBSET_SIREN:F1040 is_a: FOODON:00003673 ! watermelon (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301051 name: candy comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108)\n subset: subset_siren xref: SUBSET_SIREN:F1051 is_a: FOODON:00001214 ! candy food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301054 name: bread loaf containing wheat comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness bigger than 7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430146)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F1054 is_a: FOODON:00002351 ! wheat bread food product relationship: output_of FOODON:03460256 ! carbohydrate fermentation property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301055 name: white bread comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren xref: SUBSET_SIREN:F1055 is_a: FOODON:03301054 ! bread loaf containing wheat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301073 name: sugar (granulated) comment: SIREN DB annotation:\n* has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F1073 is_a: FOODON:03307345 ! sugar (refined) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301119 name: whole wheat bread def: "Whole wheat bread or wholemeal bread is a type of bread made using flour that is partly or entirely milled from whole or almost-whole wheat grains." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n subset: subset_siren synonym: "wholemeal bread" EXACT [] xref: SUBSET_SIREN:F1119 is_a: FOODON:03302200 ! wheat bread property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Whole_wheat_bread xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301123 name: grape (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "grape" EXACT [] xref: SUBSET_SIREN:F1123 is_a: FOODON:00003417 ! grape (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301159 name: lobster (raw) comment: SIREN DB annotation:\nDEPRECATED DUE TO DUPLICATION: * has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173) subset: subset_siren xref: SUBSET_SIREN:F1159 is_a: FOODON:00002007 ! lobster food product is_a: FOODON:03306429 ! meat (raw) intersection_of: FOODON:00002007 ! lobster food product intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301217 name: tomato sauce comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren xref: SUBSET_SIREN:F1217 is_a: FOODON:00002314 ! tomato based gravy or sauce food product is_a: FOODON:03316522 ! tomato multi-component product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301297 name: red meat (raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F1297 is_a: FOODON:03306429 ! meat (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301300 name: pea (whole) def: "A seed of a pea plant (Pisum sativum)." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren synonym: "pea" EXACT [] xref: SUBSET_SIREN:F1300 is_a: FOODON:00002813 ! pea food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3888 {all_some="true", all_only="true"} ! Pisum sativum relationship: in_taxon NCBITaxon:3888 ! Pisum sativum relationship: RO:0002350 FOODON:03400152 ! member of vegetable or vegetable product (us cfr) property_value: http://purl.org/dc/elements/1.1/date 2020-10-20T01:29:50 xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Pea xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301326 name: cabbage head (raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'head (plant)' (http://purl.obolibrary.org/obo/FOODON_03420151)\n subset: subset_siren synonym: "cabbage" EXACT [] xref: SUBSET_SIREN:F1326 is_a: FOODON:00003406 ! cabbage head is_a: FOODON:03302008 ! vegetable (raw) intersection_of: FOODON:00003406 ! cabbage head intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301337 name: citrus fruit (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "citrus fruit" EXACT [] xref: SUBSET_SIREN:F1337 is_a: FOODON:00003324 ! citrus fruit (whole) is_a: FOODON:03304644 ! fruit (whole, raw) intersection_of: FOODON:00003324 ! citrus fruit (whole) intersection_of: FOODON:03302007 ! fruit (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301353 name: peanut pod def: "A pod of a peanut plant." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed in shell or hull' (http://purl.obolibrary.org/obo/FOODON_03420227)\n subset: subset_siren xref: SUBSET_SIREN:F1353 is_a: FOODON:00002099 ! peanut food product is_a: FOODON:03420227 ! seed(s) in shell or hull intersection_of: FOODON:03420227 ! seed(s) in shell or hull intersection_of: RO:0001000 NCBITaxon:3818 ! derives from Arachis hypogaea property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301357 name: cashew nut (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren synonym: "cashew" EXACT [] synonym: "cashew nut" EXACT [] xref: SUBSET_SIREN:F1357 is_a: FOODON:00003615 ! cashew nut (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301364 name: walnut (whole) def: "A drupe fruit from a walnut tree (Juglans)." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren synonym: "walnut" EXACT [] xref: SUBSET_SIREN:F1364 is_a: FOODON:00002338 ! walnut food product is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon NCBITaxon:16718 {all_some="true", all_only="true"} ! Juglans relationship: in_taxon NCBITaxon:16718 ! Juglans property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Walnut xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301403 name: bean (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren synonym: "fresh bean" EXACT [] xref: SUBSET_SIREN:F1403 is_a: FOODON:00002753 ! bean (whole) is_a: FOODON:03302008 ! vegetable (raw) intersection_of: FOODON:00002753 ! bean (whole) intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301415 name: soybean (whole) def: "A seed of a soyabean plant (Glycine max)." [] subset: subset_siren synonym: "soy bean" EXACT [] synonym: "soya bean" EXACT [] synonym: "soybean" EXACT [] xref: SUBSET_SIREN:F1415 is_a: FOODON:00002266 ! soybean food product is_a: FOODON:00002753 ! bean (whole) intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3847 {all_some="true", all_only="true"} ! Glycine max relationship: in_taxon NCBITaxon:3847 ! Glycine max property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301440 name: mayonnaise comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n* formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200)\n* has substance added 'spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460151)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460185\n subset: subset_siren xref: SUBSET_SIREN:F1440 is_a: FOODON:00001234 ! mayonnaise food product relationship: RO:0001000 FOODON:03411017 ! derives from oil-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301444 name: vegetable juice food product comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n subset: subset_siren xref: SUBSET_SIREN:F1444 is_a: FOODON:00001253 ! plant derived beverage intersection_of: FOODON:00001253 ! plant derived beverage intersection_of: RO:0001000 FOODON:03411579 ! derives from vegetable-producing plant relationship: RO:0001000 FOODON:03411579 ! derives from vegetable-producing plant relationship: RO:0002350 FOODON:03400264 ! member of vegetable juice (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301449 name: potato (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren synonym: "potato" EXACT [] xref: SUBSET_SIREN:F1449 is_a: FOODON:03311126 ! food (raw) is_a: FOODON:03315354 ! potato (whole) intersection_of: FOODON:03311126 ! food (raw) intersection_of: FOODON:03315354 ! potato (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301453 name: tomato (whole) def: "A berry fruit of a tomato plant (Solanum lycopersicum)." [] subset: subset_siren synonym: "tomato" EXACT [] xref: SUBSET_SIREN:F1453 is_a: FOODON:00001164 ! tomato food product is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: in_taxon NCBITaxon:4081 {all_some="true", all_only="true"} ! Solanum lycopersicum relationship: in_taxon NCBITaxon:4081 ! Solanum lycopersicum property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301454 name: tomato juice comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with small particles' (http://purl.obolibrary.org/obo/FOODON_03430114)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren xref: SUBSET_SIREN:F1454 is_a: FOODON:00002316 ! tomato juice food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301467 name: bean substance def: "A bean substance is a substance made by processing seed from a bean plant." [] comment: SIREN DB annotation:\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F1467 is_a: FOODON:00001635 ! bean food product intersection_of: FOODON:00001635 ! bean food product intersection_of: RO:0001000 FOODON:00002753 ! derives from bean (whole) relationship: RO:0001000 FOODON:00002753 ! derives from bean (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "Damion Dooley's note: This class is intended to provide the most generic reference to bean, as it does not imply any more information about the state of a bean - whether it is whole or in fragments, or fragments of several beans, whether it is dry, raw, or cooked etc." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Bean xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301477 name: coffee bean (whole or ground) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n subset: subset_siren xref: SUBSET_SIREN:F1477 is_a: FOODON:00001139 ! coffee based beverage product relationship: RO:0002350 FOODON:03400268 ! member of steeped beverage (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301483 name: lowfat cow milk comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F1483 is_a: FOODON:03302116 ! cow milk (liquid) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301484 name: skim milk food product def: "Skimmed milk (British English), or skim milk (American English), is made when all the milkfat is removed from whole milk. It tends to contain around 0.1% fat." [] comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren synonym: "nonfat milk" EXACT [] synonym: "skim milk" EXACT [] synonym: "skimmed milk" EXACT [] xref: SUBSET_SIREN:F1484 is_a: FOODON:00001771 ! cow milk based food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://simple.wikipedia.org/wiki/Skimmed_milk xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301502 name: yogurt (plain) comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F1502 is_a: FOODON:00001014 ! yogurt food product relationship: RO:0002350 FOODON:03400101 ! member of cultured milk product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301570 name: carrot root (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238)\n subset: subset_siren synonym: "carrot" EXACT [] synonym: "carrot root" EXACT [] xref: SUBSET_SIREN:F1570 is_a: FOODON:00003408 ! carrot root (whole) is_a: FOODON:03309389 ! carrot root (raw, whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301577 name: squash (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "squash" EXACT [] xref: SUBSET_SIREN:F1577 is_a: FOODON:00003539 ! squash (whole) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301579 name: mustard greens (raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren xref: SUBSET_SIREN:F1579 is_a: FOODON:00002684 ! mustard greens is_a: FOODON:03302008 ! vegetable (raw) intersection_of: FOODON:00002684 ! mustard greens intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301580 name: plum (whole, raw) def: "A plum is the fruit of a plum plant." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "plum" EXACT [] xref: SUBSET_SIREN:F1580 is_a: FOODON:00003483 ! plum (whole) is_a: FOODON:03304644 ! fruit (whole, raw) intersection_of: FOODON:00003483 ! plum (whole) intersection_of: FOODON:03302007 ! fruit (raw) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Plum property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301585 name: cookie def: "A cookie is a baked or cooked food that is small, flat and sweet. It usually contains flour, sugar and some type of oil or fat. It may include other ingredients such as raisins, oats, chocolate chips, nuts, etc." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460186\n subset: subset_siren xref: SUBSET_SIREN:F1585 is_a: FOODON:00001762 ! cookie food product relationship: RO:0002350 FOODON:03400203 ! member of cookie (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301605 name: cottage cheese comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n subset: subset_siren xref: SUBSET_SIREN:F1605 is_a: FOODON:00002327 ! uncured cow milk cheese food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301641 name: rice kernel food product def: "A rice food product consisting of hulled rice kernels." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren synonym: "rice" EXACT [] xref: SUBSET_SIREN:F1641 is_a: FOODON:00001185 ! rice food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301672 name: margarine def: "A spread used for flavoring, baking, and cooking that was first made in France in 1869." [] comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n* has substance added 'vitamin a or carotenes added' (http://purl.obolibrary.org/obo/FOODON_03460213)\n subset: subset_siren xref: SUBSET_SIREN:F1672 is_a: FOODON:00002022 ! margarine food product relationship: RO:0002350 FOODON:03400231 ! member of margarine (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Margarine property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://opentextbc.ca/ingredients/chapter/major-fats-used-in-bakeries/ [Term] id: FOODON:03301701 name: apricot (whole, raw) def: "A whole raw apricot." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "apricot" EXACT [] xref: SUBSET_SIREN:F1701 is_a: FOODON:00002486 ! apricot (whole or parts) intersection_of: FOODON:00003476 ! apricot (whole) intersection_of: FOODON:03304644 ! fruit (whole, raw) property_value: http://purl.org/dc/elements/1.1/date 2022-02-18T00:10:43 xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301702 name: grapefruit (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "grapefruit" EXACT [] xref: SUBSET_SIREN:F1702 is_a: FOODON:00003554 ! grapefruit (whole) is_a: FOODON:03301337 ! citrus fruit (whole, raw) intersection_of: FOODON:00003554 ! grapefruit (whole) intersection_of: FOODON:03302007 ! fruit (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301704 name: onion (whole, raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren synonym: "onion" EXACT [] xref: SUBSET_SIREN:F1704 is_a: FOODON:03316347 ! onion (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301710 name: apple (whole, raw) def: "A whole raw apple is an apple harvested from an apple tree. It may include a stem. It has not been subject to cooking or preservation processes other than cold storage or waxing." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren xref: SUBSET_SIREN:F1710 is_a: FOODON:00002453 ! apple (raw) is_a: FOODON:00002473 ! apple (whole) is_a: FOODON:03304644 ! fruit (whole, raw) intersection_of: FOODON:00002453 ! apple (raw) intersection_of: FOODON:00002473 ! apple (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301713 name: broccoli floret (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'plant above surface, excluding fruit and seed' (http://purl.obolibrary.org/obo/FOODON_03420144)\n subset: subset_siren synonym: "broccoli" EXACT [] xref: SUBSET_SIREN:F1713 is_a: FOODON:00003405 ! broccoli floret (whole) is_a: FOODON:03302008 ! vegetable (raw) intersection_of: FOODON:00003405 ! broccoli floret (whole) intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301716 name: spinach leaf (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren synonym: "spinach" EXACT [] xref: SUBSET_SIREN:F1716 is_a: FOODON:00003495 ! spinach leaf (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301717 name: sweet potato (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren xref: SUBSET_SIREN:F1717 is_a: FOODON:00003445 ! sweet potato (whole) relationship: RO:0002350 FOODON:03400152 ! member of vegetable or vegetable product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301719 name: peach (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "peach" EXACT [] xref: SUBSET_SIREN:F1719 is_a: FOODON:00002094 ! peach butter food product is_a: FOODON:03304644 ! fruit (whole, raw) is_a: FOODON:03315502 ! peach (whole) intersection_of: FOODON:03304644 ! fruit (whole, raw) intersection_of: PO:0030103 ! drupe fruit intersection_of: RO:0001000 NCBITaxon:3760 ! derives from Prunus persica property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301722 name: strawberry (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "strawberry" EXACT [] xref: SUBSET_SIREN:F1722 is_a: FOODON:00003443 ! strawberry (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301724 name: pear (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "pear" EXACT [] xref: SUBSET_SIREN:F1724 is_a: FOODON:00003041 ! pear (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301777 name: butter (unsalted) comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has consumer 'no salt added claim or use' (http://purl.obolibrary.org/obo/FOODON_03510078)\n subset: subset_siren xref: SUBSET_SIREN:F1777 is_a: FOODON:00001772 ! cow milk butter food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301826 name: olive oil comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren xref: SUBSET_SIREN:F1826 is_a: FOODON:00002065 ! olive fat or oil refined food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf xsd:anyURI [Term] id: FOODON:03301833 name: potato chip comment: SIREN DB annotation:\n* has quality 'sliced, thin, below 0.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430145)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238)\n* formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F1833 is_a: FOODON:03316034 ! snack (potato-based) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301884 name: biscuit (quick bread) def: "A biscuit in the United States and parts of Canada, is a variety of small baked goods with a firm browned crust and a soft interior. They are made with baking powder or baking soda as a chemical leavening agent rather than yeast." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n subset: subset_siren synonym: "biscuit" EXACT [] synonym: "bisquit" EXACT [] xref: SUBSET_SIREN:F1884 is_a: FOODON:00002665 ! quick bread relationship: RO:0002350 FOODON:03400283 ! member of quick bread, unsweetened (us cfr) property_value: hasSynonym "soft biscuit" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso FOODON:03316649 [Term] id: FOODON:03301886 name: ground beef (raw) comment: SIREN DB annotation:\n* has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n subset: subset_siren synonym: "raw beef hamburger" EXACT [] xref: SUBSET_SIREN:F1886 xref: SUBSET_SIREN:F5599 is_a: FOODON:00001282 ! ground beef food product is_a: FOODON:03306429 ! meat (raw) intersection_of: FOODON:00001282 ! ground beef food product intersection_of: FOODON:03306429 ! meat (raw) property_value: http://purl.org/dc/elements/1.1/date 2019-08-26T14:29:56Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301889 name: cream cheese comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n subset: subset_siren synonym: "philadelphia cream cheese" NARROW [] xref: SUBSET_SIREN:F1889 is_a: FOODON:00002327 ! uncured cow milk cheese food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301906 name: sandwich def: "A sandwich is a food typically consisting of vegetables, sliced cheese or meat, placed on or between slices of bread, or more generally any dish wherein two or more pieces of bread serve as a container or wrapper for another food type." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n subset: subset_siren xref: SUBSET_SIREN:F1906 is_a: FOODON:00002222 ! sandwich food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Sandwich property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://en.wikipedia.org/wiki/List_of_sandwiches [Term] id: FOODON:03301924 name: apple (baked) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'fruit, peel present, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420139)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* has substance added 'spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460151)\n* has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158)\n subset: subset_siren xref: SUBSET_SIREN:F1924 is_a: FOODON:00002456 ! food (baked) is_a: FOODON:03310788 ! apple (whole or parts) intersection_of: FOODON:00002456 ! food (baked) intersection_of: FOODON:03310788 ! apple (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301931 name: wheat roll or bun comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460186\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n subset: subset_siren xref: SUBSET_SIREN:F1931 is_a: FOODON:00002351 ! wheat bread food product is_a: FOODON:00002743 ! roll or bun property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301938 name: doughnut comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'vegetable fat or oil coated' (http://purl.obolibrary.org/obo/FOODON_03460334)\n* has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460186\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n* has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263)\n subset: subset_siren xref: SUBSET_SIREN:F1938 is_a: FOODON:00001821 ! doughnut food product relationship: RO:0002350 FOODON:03400248 ! member of doughnut (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301959 name: potato (french-fried) comment: SIREN DB annotation:\n* has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238)\n* formed as a result of 'deep-frying' (http://purl.obolibrary.org/obo/FOODON_03450029)\n* formed as a result of 'fat or oil coated' (http://purl.obolibrary.org/obo/FOODON_03460233)\n subset: subset_siren xref: SUBSET_SIREN:F1959 is_a: FOODON:00002797 ! potato prepared food property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03301977 name: beverage food product def: "A liquid prepared for consumption, or a product that can be combined with water or milk to make one." [] is_a: FOODON:00002373 ! food product by meal type relationship: RO:0002350 FOODON:03400229 ! member of beverage (us cfr) property_value: http://purl.org/dc/elements/1.1/date 2019-09-12T00:00:00 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302007 name: fruit (raw) def: "Fruit which has not been subjected to heat treatment, but which may have other mechanical processes such as slicing applied to it." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n subset: subset_siren xref: SUBSET_SIREN:F2007 is_a: FOODON:03302008 ! vegetable (raw) is_a: FOODON:03315615 ! fruit food product intersection_of: FOODON:03311126 ! food (raw) intersection_of: RO:0001000 FOODON:03411140 ! derives from fruit-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302008 name: vegetable (raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n subset: subset_siren xref: SUBSET_SIREN:F2008 is_a: FOODON:03311126 ! food (raw) is_a: FOODON:03315308 ! vegetable (whole or parts) intersection_of: FOODON:03311126 ! food (raw) intersection_of: RO:0001000 FOODON:03411579 ! derives from vegetable-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302012 name: frankfurter def: "A frankfurter is a thin parboiled sausage traditionally made of pork and beef in a casing of sheep's intestine, then given a low temperature smoking." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103)\n* formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172)\n* formed as a result of 'curing or aging < 2 weeks' (http://purl.obolibrary.org/obo/FOODON_03460288)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren synonym: "frank" EXACT [] synonym: "frankfurter wurstl" EXACT [] synonym: "Frankfurter Würstel" EXACT [] synonym: "German wiener" EXACT [] synonym: "hot dog" EXACT [] synonym: "Saitenwurst" EXACT [] synonym: "Vienna sausage" EXACT [] synonym: "Wiener" EXACT [] synonym: "wiener" EXACT [] synonym: "Wiener Würstchen" EXACT [] synonym: "Wienerle" EXACT [] synonym: "Wienerli" EXACT [] synonym: "Würstl" EXACT [] xref: SUBSET_SIREN:F2012 is_a: FOODON:00001009 ! hot dog is_a: FOODON:00001605 ! animal product sausage property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 Vienna:sausage property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302045 name: blueberry (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "blueberry" EXACT [] xref: SUBSET_SIREN:F2045 is_a: FOODON:00003541 ! blueberry (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302053 name: lima bean (whole) def: "A seed of a lima bean plant (Phaseolus lunatus)." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren synonym: "butter bean" EXACT [] synonym: "butterbean" EXACT [] synonym: "double bean" EXACT [] synonym: "lima bean" EXACT [] synonym: "Madagascar bean" EXACT [] synonym: "sieva bean" EXACT [] xref: SUBSET_SIREN:F2053 is_a: FOODON:00002000 ! lima bean food product is_a: FOODON:00002753 ! bean (whole) intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3884 {all_some="true", all_only="true"} ! Phaseolus lunatus relationship: in_taxon NCBITaxon:3884 ! Phaseolus lunatus property_value: http://purl.org/dc/elements/1.1/date 2020-10-14T12:24:27 xsd:dateTime property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/9/9b/Phaseoulus_lunatus.jpg xsd:anyURI property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Lima_bean xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302061 name: baby lima bean (whole) def: "A small green seed of a baby lima bean plant." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren synonym: "baby lima" EXACT [] synonym: "baby lima bean" EXACT [] xref: SUBSET_SIREN:F2061 is_a: FOODON:03302053 ! lima bean (whole) intersection_of: PO:0009010 ! seed intersection_of: in_taxon FOODON:03411185 {all_some="true", all_only="true"} ! baby lima bean plant relationship: in_taxon FOODON:03411185 ! baby lima bean plant property_value: http://purl.org/dc/elements/1.1/date 2022-04-11T12:03:42Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Lima_bean xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302065 name: green bean (cut, raw) comment: SIREN DB annotation:\n* has quality 'cut into short pieces' (http://purl.obolibrary.org/obo/FOODON_03430111)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169)\n subset: subset_siren xref: SUBSET_SIREN:F2065 is_a: FOODON:00002766 ! green bean substance property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302116 name: cow milk (liquid) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n subset: subset_siren synonym: "cow milk" EXACT [] synonym: "milk" BROAD [] xref: SUBSET_SIREN:F2116 is_a: FOODON:00001771 ! cow milk based food product is_a: FOODON:03430130 ! food (liquid) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302196 name: potato (whole, baked) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n subset: subset_siren synonym: "baked potato" EXACT [] xref: SUBSET_SIREN:F2196 is_a: FOODON:00002456 ! food (baked) is_a: FOODON:03306100 ! potato (whole, cooked) is_a: FOODON:03315354 ! potato (whole) intersection_of: FOODON:00002456 ! food (baked) intersection_of: FOODON:03315354 ! potato (whole) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302200 name: wheat bread comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n subset: subset_siren xref: SUBSET_SIREN:F2200 is_a: FOODON:03301054 ! bread loaf containing wheat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302269 name: soda water comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109)\n subset: subset_siren xref: SUBSET_SIREN:F2269 is_a: FOODON:00002339 ! water based soft drink food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302330 name: cream (pasteurized) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'cream food product' (http://purl.obolibrary.org/obo/FOODON_00001216)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F2330 is_a: FOODON:00001775 ! cow milk cream food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302357 name: pumpernickel bread comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'rye plant as food source' (http://purl.obolibrary.org/obo/FOODON_03411313)\n subset: subset_siren xref: SUBSET_SIREN:F2357 is_a: FOODON:03301054 ! bread loaf containing wheat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302389 name: soybean beverage comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren synonym: "soy beverage" EXACT [] xref: SUBSET_SIREN:F2389 is_a: FOODON:03301444 ! vegetable juice food product intersection_of: FOODON:03301977 ! beverage food product intersection_of: RO:0001000 NCBITaxon:3847 ! derives from Glycine max relationship: RO:0001000 NCBITaxon:3847 ! derives from Glycine max relationship: RO:0002350 FOODON:03400112 ! member of nonalcoholic beverage (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302478 name: multigrain bread comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n subset: subset_siren xref: SUBSET_SIREN:F2478 is_a: FOODON:03301054 ! bread loaf containing wheat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302643 name: butter (salted) comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F2643 is_a: FOODON:00001772 ! cow milk butter food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302651 name: whole wheat cracker comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* has substance added 'maltose' (http://purl.obolibrary.org/obo/CHEBI_17306)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F2651 is_a: FOODON:00002353 ! wheat cracker food product relationship: RO:0002350 FOODON:03400242 ! member of cracker (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302726 name: chili seed oil comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity' (http://purl.obolibrary.org/obo/FOODON_03430102)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren xref: SUBSET_SIREN:F2726 is_a: FOODON:00001955 ! hot pepper spice food product is_a: FOODON:03420307 ! seed oil intersection_of: FOODON:03420307 ! seed oil intersection_of: RO:0001000 FOODON:03411643 ! derives from hot pepper plant relationship: RO:0002350 FOODON:03400215 ! member of flavoring (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302732 name: cauliflower floret (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'floret or flower' (http://purl.obolibrary.org/obo/FOODON_03420237)\n subset: subset_siren synonym: "cauliflower" EXACT [] xref: SUBSET_SIREN:F2732 is_a: FOODON:00003410 ! cauliflower floret (whole) is_a: FOODON:03302008 ! vegetable (raw) intersection_of: FOODON:00003410 ! cauliflower floret (whole) intersection_of: FOODON:03311126 ! food (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302735 name: pork (raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F2735 is_a: FOODON:00001038 ! pork meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302805 name: cantaloupe (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229)\n subset: subset_siren xref: SUBSET_SIREN:F2805 is_a: FOODON:00003577 ! cantaloupe (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03302806 name: milk chocolate comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'flavoring added, artificial' (http://purl.obolibrary.org/obo/FOODON_03460228)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460184\n* has substance added 'chocolate or cocoa added' (http://purl.obolibrary.org/obo/FOODON_03460231)\n* has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263)\n subset: subset_siren xref: SUBSET_SIREN:F2806 is_a: FOODON:00001733 ! chocolate candy food product relationship: RO:0001000 FOODON:03411012 ! derives from sugar-producing plant relationship: RO:0002350 FOODON:03400288 ! member of chocolate candy property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303084 name: coconut milk comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity' (http://purl.obolibrary.org/obo/FOODON_03430109)\n* derives from 'nut milk' (http://purl.obolibrary.org/obo/FOODON_03420214)\n subset: subset_siren xref: SUBSET_SIREN:F3084 is_a: FOODON:03309861 ! coconut (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303207 name: couscous (whole, dried) comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F3207 is_a: FOODON:00001825 ! durum wheat product catgeory relationship: RO:0002350 FOODON:03400149 ! member of milled grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303220 name: dessert food comment: SIREN DB annotation:\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren synonym: "desert preparation" EXACT [] synonym: "dessert" EXACT [] xref: SUBSET_SIREN:F3220 is_a: FOODON:00002373 ! food product by meal type relationship: RO:0002350 FOODON:03400222 ! member of dessert (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303225 name: syrup comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* derives from 'sugar syrup or syrup solids' (http://purl.obolibrary.org/obo/FOODON_03420271)\n subset: subset_siren xref: SUBSET_SIREN:F3225 is_a: FOODON:00002157 ! plant sweetener relationship: RO:0002350 FOODON:03400118 ! member of nutritive sweetener (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303504 name: cheese (natural) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n subset: subset_siren xref: SUBSET_SIREN:F3504 is_a: FOODON:00001013 ! cheese food product relationship: RO:0002350 FOODON:03400187 ! member of natural cheese (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303588 name: dark chocolate comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added 'flavoring or spice extract or concentrate added' (http://purl.obolibrary.org/obo/FOODON_03460100)\n* has substance added 'chocolate or cocoa added' (http://purl.obolibrary.org/obo/FOODON_03460231)\n* has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263)\n subset: subset_siren xref: SUBSET_SIREN:F3588 is_a: FOODON:00002286 ! sugar based cacao food product relationship: RO:0001000 FOODON:03411012 ! derives from sugar-producing plant relationship: RO:0002350 FOODON:03400272 ! member of cacao or chocolate product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303711 name: butter blend spread comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F3711 is_a: FOODON:00001673 ! butter product analog relationship: RO:0002350 FOODON:03400294 ! member of butter product analog (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303720 name: cottage cheese (lowfat) comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n* formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F3720 is_a: FOODON:03301605 ! cottage cheese property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303902 name: cheese (lowfat) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'curd' (http://purl.obolibrary.org/obo/FOODON_03420245)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F3902 is_a: FOODON:00001127 ! cow milk cheese property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303903 name: imitation cottage cheese comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* has substance added 'dairy product added' (http://purl.obolibrary.org/obo/FOODON_03460242)\n subset: subset_siren xref: SUBSET_SIREN:F3903 is_a: FOODON:00001712 ! cheese product analog relationship: FOODON:00001301 FOODON:03301605 ! has food substance analog cottage cheese relationship: RO:0002350 FOODON:03400128 ! member of cheese product analog (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303918 name: human milk (raw) def: "Breast milk is the milk produced by the breasts (or mammary glands) of a human female to feed a child." [] comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n subset: subset_siren xref: SUBSET_SIREN:F3918 is_a: FOODON:00001958 ! human milk based food product is_a: UBERON:0001913 ! milk intersection_of: UBERON:0001913 ! milk intersection_of: RO:0003001 NCBITaxon:9606 ! produced by Homo sapiens relationship: RO:0003001 NCBITaxon:9606 ! produced by Homo sapiens property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Breast_milk xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03303929 name: pretzel comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n subset: subset_siren xref: SUBSET_SIREN:F3929 is_a: FOODON:00002356 ! wheat based snack food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304262 name: spaghetti macaroni (enriched) comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n* has substance added 'nicotinic acid' (http://purl.obolibrary.org/obo/CHEBI_15940)\n* has substance added 'riboflavin' (http://purl.obolibrary.org/obo/CHEBI_17015)\n* has substance added 'iron added' (http://purl.obolibrary.org/obo/FOODON_03460181)\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460309\n subset: subset_siren xref: SUBSET_SIREN:F4262 is_a: FOODON:03301005 ! spaghetti macaroni property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304395 name: skim milk (pasteurized, fortified) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n* has substance added 'vitamin a or carotenes added' (http://purl.obolibrary.org/obo/FOODON_03460213)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F4395 is_a: FOODON:03317575 ! skim milk (pasteurized) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304468 name: imitation half and half comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'protein added' (http://purl.obolibrary.org/obo/FOODON_03460164)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F4468 is_a: FOODON:00002032 ! milk based product analog relationship: RO:0002350 FOODON:03400147 ! member of milk or milk product analog (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304497 name: edible seed food product comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F4497 is_a: FOODON:00001173 ! plant seed food product intersection_of: FOODON:00001173 ! plant seed food product intersection_of: RO:0001000 FOODON:03411174 ! derives from edible seed producing plant relationship: RO:0001000 FOODON:03411174 ! derives from edible seed producing plant relationship: RO:0002350 FOODON:03400260 ! member of nut or nut product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304616 name: hen egg (whole, shell on, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'shelled egg' (http://purl.obolibrary.org/obo/UBERON_0007379)\n subset: subset_siren xref: SUBSET_SIREN:F4616 is_a: FOODON:03316061 ! hen egg (whole) is_a: UBERON:0007379 ! shelled egg intersection_of: UBERON:0007379 ! shelled egg intersection_of: RO:0001000 FOODON:03411713 ! derives from chicken hen relationship: RO:0001000 FOODON:03411713 ! derives from chicken hen property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304644 name: fruit (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n subset: subset_siren synonym: "fruit" EXACT [] synonym: "fruits" EXACT [] xref: SUBSET_SIREN:F4644 is_a: FOODON:03302007 ! fruit (raw) is_a: PO:0009001 ! fruit intersection_of: FOODON:03302007 ! fruit (raw) intersection_of: PO:0009001 ! fruit property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "Note that this allows for several kinds of fruit in one sample, e.g. \"some fruit (whole,raw)\" allows \"apple (whole, raw)\" and \"orange (whole, raw)\"." xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304839 name: turkey egg food product def: "A food product derived from one or more turkey eggs." [] is_a: FOODON:00001105 ! avian egg food product intersection_of: FOODON:00001105 ! avian egg food product intersection_of: RO:0001000 FOODON:00002802 ! derives from turkey egg (whole, shell on, raw) relationship: RO:0001000 FOODON:00002802 ! derives from turkey egg (whole, shell on, raw) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304859 name: kale leaf (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren synonym: "kale" EXACT [] xref: SUBSET_SIREN:F4859 is_a: FOODON:00003501 ! kale leaf (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304860 name: collard leaf (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren xref: SUBSET_SIREN:F4860 is_a: FOODON:00003500 ! collard leaf (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03304996 name: soybean substance comment: SIREN DB annotation:\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F4996 is_a: FOODON:00002266 ! soybean food product is_a: FOODON:03301467 ! bean substance intersection_of: FOODON:03301467 ! bean substance intersection_of: RO:0001000 FOODON:03301415 ! derives from soybean (whole) relationship: RO:0001000 FOODON:03301415 ! derives from soybean (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305085 name: yogurt (nonfat) comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n* formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F5085 is_a: FOODON:00001014 ! yogurt food product relationship: RO:0002350 FOODON:03400101 ! member of cultured milk product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305210 name: rye bread (enriched) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'nicotinic acid' (http://purl.obolibrary.org/obo/CHEBI_15940)\n* has substance added 'riboflavin' (http://purl.obolibrary.org/obo/CHEBI_17015)\n* has substance added 'rye plant as food source' (http://purl.obolibrary.org/obo/FOODON_03411313)\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460309\n subset: subset_siren xref: SUBSET_SIREN:F5210 is_a: FOODON:03301054 ! bread loaf containing wheat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305236 name: avocado (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "avocado" EXACT [] xref: SUBSET_SIREN:F5236 is_a: FOODON:00003600 ! avocado (whole) is_a: FOODON:03304644 ! fruit (whole, raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305237 name: tropical fruit (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "tropical fruit" EXACT [] xref: SUBSET_SIREN:F5237 is_a: FOODON:00003567 ! tropical fruit (whole) is_a: FOODON:03304644 ! fruit (whole, raw) intersection_of: FOODON:00003567 ! tropical fruit (whole) intersection_of: FOODON:03302007 ! fruit (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305289 name: soybean milk comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* has substance added 'water addition process' (http://purl.obolibrary.org/obo/FOODON_03460148)\n subset: subset_siren synonym: "soy milk" EXACT [] xref: SUBSET_SIREN:F5289 is_a: FOODON:03302389 ! soybean beverage property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305304 name: fruit preserves comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n* formed as a result of 'sterilization by hot filling, held hot and cooling' (http://purl.obolibrary.org/obo/FOODON_03470129)\n* has substance added 'sugar syrup or sugar syrup solids added' (http://purl.obolibrary.org/obo/FOODON_03460280)\n subset: subset_siren xref: SUBSET_SIREN:F5304 is_a: FOODON:00001226 ! fruit preserve or jam food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305364 name: food (irradiated) comment: SIREN DB annotation:\n* formed as a result of 'sterilization by irradiation' (http://purl.obolibrary.org/obo/FOODON_03470113)\n subset: subset_siren xref: SUBSET_SIREN:F5364 is_a: FOODON:00002158 ! food (preserved) relationship: output_of FOODON:03470138 ! preservation by irradiation property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305536 name: honey blend table syrup comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sugar syrup or syrup solids' (http://purl.obolibrary.org/obo/FOODON_03420271)\n* has substance added 'honey added' (http://purl.obolibrary.org/obo/FOODON_03460149)\n subset: subset_siren xref: SUBSET_SIREN:F5536 is_a: FOODON:00002157 ! plant sweetener is_a: FOODON:00002450 ! multi-component honey product intersection_of: FOODON:00002157 ! plant sweetener intersection_of: FOODON:00002450 ! multi-component honey product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305609 name: cow milk (pasteurized) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F5609 is_a: FOODON:03302116 ! cow milk (liquid) relationship: output_of FOODON:03470135 ! pasteurization by heating property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305680 name: apple pie filling comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F5680 is_a: FOODON:00001611 ! apple food product is_a: FOODON:03306763 ! fruit pie filling intersection_of: FOODON:00001611 ! apple food product intersection_of: FOODON:03306763 ! fruit pie filling relationship: FOODON:00001563 FOODON:00002482 ! has defining ingredient apple (sliced) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305705 name: lobster (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173)\n subset: subset_siren xref: SUBSET_SIREN:F5705 is_a: FOODON:00002468 ! lobster (whole) is_a: FOODON:03301159 ! lobster (raw) intersection_of: FOODON:00002468 ! lobster (whole) intersection_of: FOODON:03301159 ! lobster (raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305806 name: green bean pod (whole) def: "An unripe, young fruit of various cultivars of a common bean plant (Phaseolus vulgaris)." [] comment: Immature or young pods of the runner bean (Phaseolus coccineus), yardlong bean (Vigna unguiculata subsp. sesquipedalis), and hyacinth bean (Lablab purpureus) are used in a similar way.\n\nSIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169) subset: subset_siren synonym: "French bean" EXACT [] synonym: "green bean" EXACT [] synonym: "haricot vert" EXACT [] synonym: "snap bean" EXACT [] synonym: "snaps" EXACT [] synonym: "string bean" EXACT [] synonym: "stringless bean" EXACT [] xref: SUBSET_SIREN:F5806 is_a: FOODON:00001934 ! green bean food product is_a: FOODON:00002812 ! edible bean pod is_a: FOODON:03311356 ! pole bean pod intersection_of: FOODON:00002812 ! edible bean pod intersection_of: RO:0001000 FOODON:03411371 ! derives from green bean plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Green_bean xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03305833 name: english muffin comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n subset: subset_siren xref: SUBSET_SIREN:F5833 is_a: FOODON:00002351 ! wheat bread food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306100 name: potato (whole, cooked) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren xref: SUBSET_SIREN:F6100 is_a: FOODON:00002797 ! potato prepared food property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306123 name: fish oil comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren xref: SUBSET_SIREN:F6123 is_a: FOODON:00001248 ! fish food product is_a: FOODON:00001855 ! fish refined food product is_a: FOODON:03310387 ! oil property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306272 name: oat flakes def: "Milled and reconstructed flakes made from oats and usually served as a cold cereal product." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'food flaking process' (http://purl.obolibrary.org/obo/FOODON_03460274)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F6272 is_a: FOODON:00001759 ! common oat cereal food product relationship: RO:0002350 FOODON:03400258 ! member of breakfast cereal (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://www.quora.com/What-are-oat-flakes-Whats-the-difference-between-rolled-oats-and-oat-flakes property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306347 name: pasta comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F6347 is_a: FOODON:00002013 ! macaroni or noodle food product relationship: RO:0002350 FOODON:03400275 ! member of macaroni or noodle product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306409 name: mayonnaise analog comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n* formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200)\n* formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306) subset: subset_siren xref: SUBSET_SIREN:F16329 xref: SUBSET_SIREN:F6409 is_a: FOODON:00001133 ! condiment food product is_a: FOODON:00002146 ! plant product dressing relationship: FOODON:00001301 FOODON:00001234 ! has food substance analog mayonnaise food product relationship: RO:0001000 FOODON:03411017 ! derives from oil-producing plant relationship: RO:0002350 FOODON:03400136 ! member of nonstandardized dressing (us cfr) property_value: http://purl.org/dc/elements/1.1/date 2019-06-15T02:12:40Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306429 name: meat (raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F6429 is_a: FOODON:03311126 ! food (raw) is_a: FOODON:03317170 ! meat (whole or parts) intersection_of: FOODON:03311126 ! food (raw) intersection_of: RO:0001000 FOODON:00003004 ! derives from animal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306441 name: steak and kidney pie filling comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'alcoholated' (http://purl.obolibrary.org/obo/FOODON_03460160)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460191\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n* immersed in 'packed in gravy or sauce, meat' (http://purl.obolibrary.org/obo/FOODON_03480036)\n subset: subset_siren xref: SUBSET_SIREN:F6441 is_a: FOODON:00001041 ! beef food product is_a: FOODON:03306766 ! pie filling intersection_of: FOODON:00001041 ! beef food product intersection_of: FOODON:03306766 ! pie filling property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306503 name: bologna comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'flavoring, spice or herb added, natural' (http://purl.obolibrary.org/obo/FOODON_03460229)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F6503 is_a: FOODON:00001605 ! animal product sausage relationship: RO:0002350 FOODON:03400221 ! member of sausage or luncheon meat (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306581 name: cow whole milk (pasteurized) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F6581 is_a: FOODON:03302116 ! cow milk (liquid) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306632 name: nut (whole or parts) def: "A whole nut or some substance made from a processed nut." [] comment: SIREN DB annotation:\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren synonym: "nut" EXACT [] synonym: "nuts" EXACT [] xref: SUBSET_SIREN:F6632 is_a: FOODON:00001172 ! nut food product property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306633 name: olive oil (virgin) def: "Virgin olive oil is oil obtained from the fruit of the olive tree solely by mechanical or other physical means under conditions, particularly thermal conditions, that do not lead to alterations in the oil, and which have not undergone any treatment other than washing, decantation, centrifugation and filtration." [] comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren synonym: "virgin olive oil" EXACT [] xref: SUBSET_SIREN:F6633 is_a: FOODON:03301826 ! olive oil property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://static.oliveoiltimes.com/library/ioc-olive-oil-standard.pdf xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306644 name: pea vine silage comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'plant above surface, excluding fruit and seed' (http://purl.obolibrary.org/obo/FOODON_03420144)\n* formed as a result of 'lactic acid-other agent fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460107)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104)\n* has consumer 'food animal as consumer' (http://purl.obolibrary.org/obo/FOODON_03510015)\n subset: subset_siren xref: SUBSET_SIREN:F6644 is_a: ENVO:00003030 ! silage is_a: FOODON:00002813 ! pea food product intersection_of: ENVO:00003030 ! silage intersection_of: RO:0001000 FOODON:03411338 ! derives from pea plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306672 name: blueberry pie filling comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren xref: SUBSET_SIREN:F6672 is_a: FOODON:00001656 ! blueberry food product is_a: FOODON:03306763 ! fruit pie filling intersection_of: FOODON:00001656 ! blueberry food product intersection_of: FOODON:03306763 ! fruit pie filling property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306673 name: peach pie filling comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* derives from 'fruit, peel removed, core, pit or seed removed' (http://purl.obolibrary.org/obo/FOODON_03420229)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren xref: SUBSET_SIREN:F6673 is_a: FOODON:00002095 ! peach food product is_a: FOODON:03306763 ! fruit pie filling intersection_of: FOODON:00002095 ! peach food product intersection_of: FOODON:03306763 ! fruit pie filling relationship: FOODON:00001563 FOODON:03301719 ! has defining ingredient peach (whole, raw) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306763 name: fruit pie filling comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F6763 is_a: FOODON:03306766 ! pie filling is_a: FOODON:03315615 ! fruit food product intersection_of: FOODON:03306766 ! pie filling intersection_of: FOODON:03315615 ! fruit food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306766 name: pie filling comment: SIREN DB annotation:\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren xref: SUBSET_SIREN:F6766 is_a: FOODON:00001868 ! food filling product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306773 name: pie crust comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n* has substance added 'fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460221)\n subset: subset_siren xref: SUBSET_SIREN:F6773 is_a: FOODON:00001626 ! bakery food product relationship: RO:0001000 FOODON:03411312 ! derives from wheat plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306867 name: peanut butter def: "A food paste or spread made from ground, dry-roasted peanuts." [] comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n subset: subset_siren xref: SUBSET_SIREN:F6867 is_a: FOODON:00003205 ! peanut (whole or parts) property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Peanut_butter xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03306903 name: peanut butter (creamy) comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n subset: subset_siren xref: SUBSET_SIREN:F6903 is_a: FOODON:03306867 ! peanut butter property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307119 name: raspberry (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "raspberry" EXACT [] xref: SUBSET_SIREN:F7119 is_a: FOODON:00003433 ! raspberry (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307147 name: rice (milled) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n subset: subset_siren xref: SUBSET_SIREN:F7147 is_a: FOODON:03311818 ! white rice food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307204 name: stuffing for turkey comment: SIREN DB annotation:\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F7204 is_a: FOODON:00001868 ! food filling product is_a: FOODON:00002351 ! wheat bread food product intersection_of: FOODON:00001868 ! food filling product intersection_of: FOODON:00002351 ! wheat bread food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307345 name: sugar (refined) comment: SIREN DB annotation:\n* has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'white sugar' (http://purl.obolibrary.org/obo/FOODON_03420157)\n subset: subset_siren xref: SUBSET_SIREN:F7345 is_a: FOODON:03316271 ! sugar product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307444 name: yogurt (lowfat) comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n* formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F7444 is_a: FOODON:00001014 ! yogurt food product relationship: RO:0002350 FOODON:03400101 ! member of cultured milk product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307445 name: frozen yogurt comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity' (http://purl.obolibrary.org/obo/FOODON_03430102)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'lactic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460101)\n* formed as a result of 'food aeration process' (http://purl.obolibrary.org/obo/FOODON_03460178)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* formed as a result of 'preservation by freezing' (http://purl.obolibrary.org/obo/FOODON_03470136)\n* has substance added 'flavoring or taste ingredient added' (http://purl.obolibrary.org/obo/FOODON_03460117)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n subset: subset_siren xref: SUBSET_SIREN:F7445 is_a: FOODON:00001881 ! frozen yogurt food product relationship: RO:0002350 FOODON:03400211 ! member of frozen yogurt (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307448 name: whole wheat food product def: "A food product made from all the parts of a whole wheat kernel." [] comment: SIREN DB annotation:\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren xref: SUBSET_SIREN:F10595 xref: SUBSET_SIREN:F7448 is_a: FOODON:00001141 ! wheat food product relationship: RO:0002350 FOODON:03400125 ! member of grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307455 name: cow milk (raw) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* has consumer 'not pasteurized claim or use' (http://purl.obolibrary.org/obo/FOODON_03510121)\n subset: subset_siren synonym: "milk" EXACT [] synonym: "raw milk" BROAD [] xref: SUBSET_SIREN:F7455 is_a: FOODON:03302116 ! cow milk (liquid) is_a: UBERON:0001913 ! milk intersection_of: UBERON:0001913 ! milk intersection_of: RO:0001000 FOODON:03411201 ! derives from dairy cow property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307668 name: tortilla comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness <0.3 cm.' (http://purl.obolibrary.org/obo/FOODON_03430153)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F7668 is_a: FOODON:00001917 ! grain based bakery food product relationship: RO:0002350 FOODON:03400107 ! member of bakery product, unsweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307813 name: spring water comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n subset: subset_siren xref: SUBSET_SIREN:F7813 is_a: FOODON:00002340 ! water food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307879 name: melon seed (whole) def: "A seed of a melon plant." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F7879 is_a: FOODON:00001152 ! melon fruit food product is_a: FOODON:00003774 ! oat bran is_a: PO:0009010 ! seed intersection_of: FOODON:03420288 ! seed bran intersection_of: in_taxon NCBITaxon:4498 {all_some="true", all_only="true"} ! Avena sativa property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Melon xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03307970 name: imitation milk chocolate (artifically sweetened) comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added 'flavoring or spice extract or concentrate added' (http://purl.obolibrary.org/obo/FOODON_03460100)\n* has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460184\n* has substance added 'vegetable fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460263)\n* has consumer 'energy special claim or use' (http://purl.obolibrary.org/obo/FOODON_03510045)\n subset: subset_siren xref: SUBSET_SIREN:F7970 is_a: FOODON:00001734 ! chocolate product analog relationship: FOODON:00001301 FOODON:03302806 ! has food substance analog milk chocolate relationship: RO:0001000 FOODON:03411318 ! derives from cacao plant relationship: RO:0002350 FOODON:03400272 ! member of cacao or chocolate product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03308024 name: haddock (raw) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F8024 is_a: FOODON:00001941 ! haddock food product relationship: RO:0001000 NCBITaxon:8056 ! derives from Melanogrammus aeglefinus property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309003 name: tuna (white, solid pack, canned in water) comment: SIREN DB annotation:\n* surrounded by 'can' (http://purl.obolibrary.org/obo/FOODON_03490204)\n* has quality 'divided into pieces, thickness more than 1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430125)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* has quality 'white fish flesh' (http://purl.obolibrary.org/obo/FOODON_03530056)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* http://purl.obolibrary.org/obo/RO_0002220 http://purl.obolibrary.org/obo/FOODON_03500023\n* formed as a result of 'sterilization by heating' (http://purl.obolibrary.org/obo/FOODON_03470123)\n* immersed in 'packed in water' (http://purl.obolibrary.org/obo/FOODON_03480017)\n subset: subset_siren xref: SUBSET_SIREN:F9003 is_a: FOODON:00001578 ! albacore food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309389 name: carrot root (raw, whole or parts) comment: Note - curators are implementing "whole or pieces" rather than "whole and pieces".\nSIREN DB annotation:\n* has quality 'whole and pieces' (http://purl.obolibrary.org/obo/FOODON_03430104)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238) subset: subset_siren xref: SUBSET_SIREN:F9389 is_a: FOODON:00002490 ! carrot root (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309475 name: meat trimming def: "A meat part that has been cut from a large piece of meat and is too small to be sold individually." [] comment: SIREN DB annotation:\n* has quality 'finely ground' (http://purl.obolibrary.org/obo/FOODON_03430106)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127)\n* formed as a result of 'cooking with inherent fat or oil' (http://purl.obolibrary.org/obo/FOODON_03450030)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'partial fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460247)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n* has consumer 'animal as consumer' (http://purl.obolibrary.org/obo/FOODON_03510021)\n subset: subset_siren synonym: "meat scrap" EXACT [] synonym: "meat trim" EXACT [] xref: SUBSET_SIREN:F9475 is_a: FOODON:00001568 ! food trimming is_a: FOODON:03317170 ! meat (whole or parts) intersection_of: FOODON:00001568 ! food trimming intersection_of: FOODON:03317170 ! meat (whole or parts) property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://www.merriam-webster.com/dictionary/meat%20scrap xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309530 name: muffin comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460184\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460186\n subset: subset_siren xref: SUBSET_SIREN:F9530 is_a: FOODON:00002665 ! quick bread relationship: RO:0002350 FOODON:03400183 ! member of quick bread, sweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309554 name: bagel comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n subset: subset_siren xref: SUBSET_SIREN:F9554 is_a: FOODON:00002351 ! wheat bread food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309664 name: tofu food product comment: SIREN DB annotation:\n* derives from 'protein extract, concentrate or isolate' (http://purl.obolibrary.org/obo/FOODON_03420236)\n subset: subset_siren xref: SUBSET_SIREN:F9664 is_a: FOODON:03304996 ! soybean substance property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309738 name: beef (cooked) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103)\n subset: subset_siren xref: SUBSET_SIREN:F9738 is_a: FOODON:00001041 ! beef food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309823 name: shrimp paste def: "definition: Shrimp paste or shrimp sauce is a fermented condiment commonly used in Southeast Asian, Northeastern South Asian and Southern Chinese cuisines." [] comment: SIREN DB annotation:\n* has quality 'semisolid' (http://purl.obolibrary.org/obo/FOODON_03430144)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'whole animal or most parts used' (http://purl.obolibrary.org/obo/FOODON_03420173)\n* formed as a result of 'fermentation/modification process, multiple component' (http://purl.obolibrary.org/obo/FOODON_03460128)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'salted' (http://purl.obolibrary.org/obo/FOODON_03460173)\n* formed as a result of 'preservation by fermentation' (http://purl.obolibrary.org/obo/FOODON_03470104)\n subset: subset_siren synonym: "bagoong alamang" NARROW [] synonym: "bagoong aramang" NARROW [] synonym: "belacan" NARROW [] synonym: "belachan" NARROW [] synonym: "blachang" NARROW [] synonym: "hae ko" NARROW [] synonym: "hom ha" NARROW [] synonym: "kapi" NARROW [] synonym: "mắm ruốc" NARROW [] synonym: "mắm tép" NARROW [] synonym: "mắm tôm" NARROW [] synonym: "ngapi" NARROW [] synonym: "shrimp sauce" EXACT [] synonym: "sidol" NARROW [] synonym: "terasi" NARROW [] xref: SUBSET_SIREN:F9823 is_a: FOODON:00001054 ! fermented fish or seafood food product is_a: FOODON:00002239 ! shrimp food product intersection_of: FOODON:00001054 ! fermented fish or seafood food product intersection_of: FOODON:00002239 ! shrimp food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000116 "Need to set languages of synonyms (japanese/thai ?)" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-1816-4260 xsd:anyURI property_value: IAO:0000119 Shrimp:paste property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309840 name: ginger root (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren xref: SUBSET_SIREN:F9840 is_a: FOODON:00003717 ! ginger root (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309861 name: coconut (whole or parts) def: "A whole coconut or some substance made from a processed coconut." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren xref: SUBSET_SIREN:F9861 is_a: FOODON:03316908 ! coconut food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 http://orcid.org/0000-0002-1816-4260 xsd:anyURI property_value: IAO:0000117 http://orcid.org/0000-0002-4366-3088 xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309927 name: tomato (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "garden tomato" EXACT [] synonym: "tomato" EXACT [] xref: SUBSET_SIREN:F9927 is_a: FOODON:03301453 ! tomato (whole) is_a: FOODON:03304644 ! fruit (whole, raw) is_a: FOODON:03420167 ! fruit part relationship: RO:0002350 PO:0030108 ! member of berry fruit property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309969 name: pork (ground or minced) def: "Meat from a pig that has been ground or minced." [] comment: SIREN DB annotation:\n* has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F9969 is_a: FOODON:00001038 ! pork meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03309973 name: jam comment: SIREN DB annotation:\n* has quality 'semisolid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430134)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'sucrose' (http://purl.obolibrary.org/obo/CHEBI_17992)\n* formed as a result of 'sterilization by hot filling, held hot and cooling' (http://purl.obolibrary.org/obo/FOODON_03470129)\n* has substance added 'pectin added' (http://purl.obolibrary.org/obo/FOODON_03460145)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460147\n subset: subset_siren xref: SUBSET_SIREN:F9973 is_a: FOODON:00001227 ! jam food product relationship: RO:0001000 FOODON:03411012 ! derives from sugar-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310006 name: fermented bean product comment: SIREN DB annotation:\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n subset: subset_siren xref: SUBSET_SIREN:F10006 is_a: FOODON:00001258 ! food (fermented) is_a: FOODON:00001635 ! bean food product intersection_of: FOODON:00001258 ! food (fermented) intersection_of: RO:0001000 FOODON:00001635 ! derives from bean food product relationship: RO:0001000 FOODON:00001635 ! derives from bean food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310351 name: butter comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'butter' (http://purl.obolibrary.org/obo/FOODON_00001023)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F10351 is_a: FOODON:00001772 ! cow milk butter food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://www.uoguelph.ca/foodscience/book/export/html/1687 [Term] id: FOODON:03310387 name: oil comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren xref: SUBSET_SIREN:F10387 is_a: FOODON:00002664 ! lipid food product relationship: RO:0002350 FOODON:03400129 ! member of refined or partially-refined food product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310546 name: tea (steeped) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n* formed as a result of 'steeping' (http://purl.obolibrary.org/obo/FOODON_03450036)\n subset: subset_siren xref: SUBSET_SIREN:F10546 is_a: FOODON:00001245 ! tea beverage (liquid) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310547 name: soft drink (dietetic) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109)\n* has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n* has consumer 'low energy food' (http://purl.obolibrary.org/obo/FOODON_03510033)\n subset: subset_siren xref: SUBSET_SIREN:F10547 is_a: FOODON:03310815 ! soft drink property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310564 name: bacon (fried) comment: SIREN DB annotation:\n* has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* has quality 'belly meat' (http://purl.obolibrary.org/obo/FOODON_03530063)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'cooking with inherent fat or oil' (http://purl.obolibrary.org/obo/FOODON_03450030)\n* formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n subset: subset_siren xref: SUBSET_SIREN:F10564 is_a: FOODON:03317331 ! bacon (whole cut or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310573 name: turkey sandwich comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207)\n* formed as a result of 'carbohydrate fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460256)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n subset: subset_siren xref: SUBSET_SIREN:F10573 is_a: FOODON:00003158 ! poultry sandwich intersection_of: FOODON:00001604 ! animal product sandwich intersection_of: RO:0001000 FOODON:03411236 ! derives from turkey (bird) relationship: RO:0001000 FOODON:03411236 ! derives from turkey (bird) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310576 name: chicken frankfurter def: "A frankfurter made entirely of chicken." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003)\n* derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125)\n* formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172)\n* formed as a result of 'curing or aging < 2 weeks' (http://purl.obolibrary.org/obo/FOODON_03460288)\n* formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren synonym: "chicken frank" EXACT [] xref: SUBSET_SIREN:F10576 is_a: FOODON:00001040 ! chicken meat food product is_a: FOODON:03302012 ! frankfurter relationship: RO:0002350 FOODON:03400131 ! member of poultry-based sausage or luncheon meat (us cfr) property_value: http://purl.org/dc/elements/1.1/date 2021-07-19T12:16:20Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310611 name: poultry (whole or parts) comment: SIREN DB annotation:\n* has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F10611 is_a: FOODON:00001131 ! poultry meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310641 name: lentil (whole) def: "A seed of a lentil plant (Lens culinaris)." [] subset: subset_siren synonym: "lentil" EXACT [] xref: SUBSET_SIREN:F10641 is_a: FOODON:00001997 ! lentil vegetable food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3864 {all_some="true", all_only="true"} ! Lens culinaris relationship: in_taxon NCBITaxon:3864 ! Lens culinaris property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310646 name: legume (whole) def: "A seed of a legume plant in the family Fabaceae." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F10646 is_a: FOODON:00001264 ! legume food product is_a: FOODON:00002153 ! plant seed vegetable food product is_a: PO:0009010 ! seed intersection_of: PO:0009010 ! seed intersection_of: in_taxon NCBITaxon:3803 {all_some="true", all_only="true"} ! Fabaceae relationship: in_taxon NCBITaxon:3803 ! Fabaceae property_value: http://purl.org/dc/elements/1.1/date 2020-10-21T09:28:28 xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310675 name: luncheon meat def: "Precooked or cured meat, often sausages or meat loaves, that are sliced and served cold or hot on sandwiches or on party trays." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren synonym: "cold cut" EXACT [] synonym: "deli meat" EXACT [] synonym: "lunch meat" EXACT [] xref: SUBSET_SIREN:F10675 is_a: FOODON:00001605 ! animal product sausage relationship: RO:0002350 FOODON:03400221 ! member of sausage or luncheon meat (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 Lunch:meat property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310753 name: ground beef (cooked) comment: SIREN DB annotation:\n* has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n subset: subset_siren xref: SUBSET_SIREN:F10753 is_a: FOODON:00001282 ! ground beef food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310775 name: pizza food product comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'lactic acid-other agent fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460107)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460143\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460212\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F10775 is_a: FOODON:00002456 ! food (baked) relationship: FOODON:00001563 FOODON:03317327 ! has defining ingredient pizza crust relationship: RO:0002350 FOODON:03400100 ! member of pie, unsweetened, or pizza (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310780 name: cow whole milk 3.5% fat comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren synonym: "cow whole milk" EXACT [] synonym: "whole milk" NARROW [] xref: SUBSET_SIREN:F10780 is_a: FOODON:03306581 ! cow whole milk (pasteurized) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310784 name: fermented vegetable food product comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n* formed as a result of 'microbial/enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460119)\n subset: subset_siren xref: SUBSET_SIREN:F10784 is_a: FOODON:00001258 ! food (fermented) is_a: FOODON:00002143 ! plant leaf vegetable food product intersection_of: FOODON:00001258 ! food (fermented) intersection_of: FOODON:00002143 ! plant leaf vegetable food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310788 name: apple (whole or parts) def: "A whole apple or some substance made from processed apple." [] subset: subset_siren synonym: "apple" EXACT [] xref: SUBSET_SIREN:F10788 is_a: FOODON:00001611 ! apple food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310795 name: heavy cream comment: SIREN DB annotation:\n* has quality 'liquid, high viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430139)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'heavy cream' (http://purl.obolibrary.org/obo/FOODON_03420161)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F10795 is_a: FOODON:03302330 ! cream (pasteurized) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310806 name: oatmeal (cooked) comment: SIREN DB annotation:\n* has quality 'semiliquid with solid pieces' (http://purl.obolibrary.org/obo/FOODON_03430110)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'cooking in water or water-based liquid' (http://purl.obolibrary.org/obo/FOODON_03450013)\n* formed as a result of 'food rolling process' (http://purl.obolibrary.org/obo/FOODON_03460239)\n* formed as a result of 'rehydration process' (http://purl.obolibrary.org/obo/FOODON_03460259)\n subset: subset_siren xref: SUBSET_SIREN:F10806 is_a: FOODON:00001759 ! common oat cereal food product relationship: RO:0002350 FOODON:03400258 ! member of breakfast cereal (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310815 name: soft drink comment: Curation note: This was "soft dring not further specified". We are relaxing siren annotations to allow for subclasses.\n\nSIREN DB annotation:\n* surrounded by 'can, bottle or jar' (http://purl.obolibrary.org/obo/FOODON_03490194)\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* formed as a result of 'artificially carbonated' (http://purl.obolibrary.org/obo/FOODON_03460109)\n* formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200)\n* has substance added 'flavoring or taste ingredient added' (http://purl.obolibrary.org/obo/FOODON_03460117)\n* has substance added 'sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460202) subset: subset_siren xref: SUBSET_SIREN:F10815 is_a: FOODON:00002339 ! water based soft drink food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310826 name: meat (processed) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F10826 is_a: FOODON:03317170 ! meat (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310828 name: poultry (processed) comment: SIREN DB annotation:\n* has quality 'meat color, undesignated or unknown (deprecated)' (http://purl.obolibrary.org/obo/FOODON_03530003)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F10828 is_a: FOODON:03310611 ! poultry (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03310943 name: zucchini squash (whole) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'fruit, peel present, core, pit or seed present' (http://purl.obolibrary.org/obo/FOODON_03420140)\n subset: subset_siren synonym: "green zucchini" EXACT [] synonym: "zucchini" BROAD [] synonym: "zucchini squash" EXACT [] xref: SUBSET_SIREN:F10943 is_a: FOODON:00002448 ! zucchini food product is_a: FOODON:00003539 ! squash (whole) intersection_of: FOODON:00003539 ! squash (whole) intersection_of: RO:0001000 FOODON:03411462 ! derives from zucchini plant relationship: RO:0001000 FOODON:03411462 ! derives from zucchini plant property_value: hasSynonym "courgettes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311075 name: breakfast cereal def: "Breakfast food that is made from processed cereal grains and is often consumed with dairy products such as milk." [] comment: SIREN DB annotation:\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n subset: subset_siren xref: SUBSET_SIREN:F11075 is_a: FOODON:00001709 ! cereal food product is_a: FOODON:00002386 ! breakfast food intersection_of: FOODON:00001709 ! cereal food product intersection_of: FOODON:00002386 ! breakfast food relationship: RO:0002350 FOODON:03400258 ! member of breakfast cereal (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Breakfast_cereal xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311126 name: food (raw) def: "A food product that has not been cooked." [] comment: SIREN DB annotation:\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n subset: subset_siren xref: SUBSET_SIREN:F11126 is_a: FOODON:00002454 ! food product by quality property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311131 name: pork sausage (oven-cooked) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'cooking by dry heat' (http://purl.obolibrary.org/obo/FOODON_03450004)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F11131 is_a: FOODON:00002729 ! pork sausage property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311153 name: breakfast cereal (oat-based) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F11153 is_a: FOODON:00001759 ! common oat cereal food product is_a: FOODON:03311075 ! breakfast cereal intersection_of: FOODON:00001759 ! common oat cereal food product intersection_of: FOODON:03311075 ! breakfast cereal relationship: FOODON:00001563 FOODON:03306272 ! has defining ingredient oat flakes property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311235 name: skim milk (pasteurized, vitamin A and D fortified) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n* has substance added 'vitamin A' (http://purl.obolibrary.org/obo/CHEBI_12777)\n* has substance added 'vitamin D' (http://purl.obolibrary.org/obo/CHEBI_27300)\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n* has consumer 'low fat food' (http://purl.obolibrary.org/obo/FOODON_03510039)\n subset: subset_siren xref: SUBSET_SIREN:F11235 is_a: FOODON:03304395 ! skim milk (pasteurized, fortified) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311276 name: yellow onion (whole, raw) def: "A variety of dry onion with a strong flavour. It has a greenish-white, light yellow, or white inside; its layers of papery skin have a yellow-brown or pale golden colour. It is higher in sulphur content than the white onion, which gives it a stronger, more complex flavour." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238)\n subset: subset_siren synonym: "Allium cepa L." EXACT [] synonym: "brown onion" EXACT [] synonym: "yellow onion" EXACT [] xref: SUBSET_SIREN:F11276 is_a: FOODON:00003517 ! yellow onion (whole) is_a: FOODON:03301704 ! onion (whole, raw) intersection_of: FOODON:00003517 ! yellow onion (whole) intersection_of: FOODON:03301704 ! onion (whole, raw) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311353 name: carrot top (raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren xref: SUBSET_SIREN:F11353 is_a: FOODON:00001687 ! carrot food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311356 name: pole bean pod comment: SIREN DB annotation:\n* has quality 'whole' (http://purl.obolibrary.org/obo/FOODON_03430131)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'pod containing small, immature seed' (http://purl.obolibrary.org/obo/FOODON_03420169)\n subset: subset_siren synonym: "climbing bean" EXACT [] synonym: "pole bean" EXACT [] xref: SUBSET_SIREN:F11356 is_a: FOODON:00002765 ! bean pod intersection_of: FOODON:00002765 ! bean pod intersection_of: RO:0001000 FOODON:03411060 ! derives from phaseolus vulgaris, edible pod cultivar (plant) relationship: RO:0001000 FOODON:03411060 ! derives from phaseolus vulgaris, edible pod cultivar (plant) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311386 name: rice milk beverage comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'enzymatic modification process' (http://purl.obolibrary.org/obo/FOODON_03460252)\n subset: subset_siren xref: SUBSET_SIREN:F11386 is_a: FOODON:00001872 ! food product type (to be processed) relationship: RO:0001000 FOODON:03411322 ! derives from rice plant relationship: RO:0002350 FOODON:03400112 ! member of nonalcoholic beverage (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311507 name: pork trimming comment: SIREN DB annotation:\n* has quality 'divided or disintegrated' (http://purl.obolibrary.org/obo/FOODON_03430122)\n* derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127)\n subset: subset_siren xref: SUBSET_SIREN:F11507 is_a: FOODON:00001038 ! pork meat food product is_a: FOODON:03309475 ! meat trimming intersection_of: FOODON:00001038 ! pork meat food product intersection_of: FOODON:00001568 ! food trimming property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311540 name: breakfast cereal (cooked) comment: SIREN DB annotation:\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'rehydration process' (http://purl.obolibrary.org/obo/FOODON_03460259)\n subset: subset_siren xref: SUBSET_SIREN:F11540 is_a: FOODON:03311075 ! breakfast cereal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311588 name: bacon (baked) comment: SIREN DB annotation:\n* has quality 'divided into pieces' (http://purl.obolibrary.org/obo/FOODON_03430152)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* has quality 'belly meat' (http://purl.obolibrary.org/obo/FOODON_03530063)\n* derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n subset: subset_siren xref: SUBSET_SIREN:F11588 is_a: FOODON:03317331 ! bacon (whole cut or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311610 name: pork (cooked) comment: SIREN DB annotation:\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F11610 is_a: FOODON:00001038 ! pork meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311664 name: lamb (roasted) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n subset: subset_siren xref: SUBSET_SIREN:F11664 is_a: FOODON:00001992 ! lamb meat food product relationship: RO:0001000 FOODON:03411669 ! derives from lamb property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311682 name: mortadella comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'smoked or smoke-flavored' (http://purl.obolibrary.org/obo/FOODON_03460172)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F11682 is_a: FOODON:00001605 ! animal product sausage intersection_of: FOODON:00001605 ! animal product sausage intersection_of: RO:0001000 FOODON:03302735 ! derives from pork (raw) relationship: RO:0001000 FOODON:03302735 ! derives from pork (raw) relationship: RO:0002350 FOODON:03400221 ! member of sausage or luncheon meat (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311694 name: ham (sliced, cooked) comment: SIREN DB annotation:\n* has quality 'sliced' (http://purl.obolibrary.org/obo/FOODON_03430137)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F11694 is_a: FOODON:00002502 ! ham food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311737 name: processed food product subset: subset_siren xref: SUBSET_SIREN:F11737 is_a: FOODON:00001002 ! food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311818 name: white rice food product def: "A food product made primarily of the endosperm of a rice grain." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440022)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n subset: subset_siren xref: SUBSET_SIREN:F11818 is_a: FOODON:03301641 ! rice kernel food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03311885 name: brussels sprout (whole) def: "An axillary bud of the brussels sprout plant (Brassica oleracea var. gemmifera)." [] subset: subset_siren synonym: "brussels sprouts" EXACT [] xref: SUBSET_SIREN:F11885 is_a: FOODON:00001670 ! brussels sprout food product is_a: PO:0004709 ! axillary bud intersection_of: PO:0004709 ! axillary bud intersection_of: in_taxon NCBITaxon:178616 ! Brassica oleracea var. gemmifera relationship: in_taxon NCBITaxon:178616 ! Brassica oleracea var. gemmifera property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03312033 name: pastry (filled) comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'food filling process' (http://purl.obolibrary.org/obo/FOODON_03460207)\n subset: subset_siren xref: SUBSET_SIREN:F12033 is_a: FOODON:00002350 ! wheat based pastry food product is_a: FOODON:00002644 ! food (filled) intersection_of: FOODON:00002350 ! wheat based pastry food product intersection_of: FOODON:00002644 ! food (filled) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03312067 name: salami def: "A cured sausage which consists of fermented and air-dried meat, typically pork." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* has quality 'solid containing very small particles (<1 mm.)' (http://purl.obolibrary.org/obo/FOODON_03530098)\n* derives from 'skeletal meat part, without bone and skin, with separable fat' (http://purl.obolibrary.org/obo/FOODON_03420269)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'flavoring, spice or herb added, natural' (http://purl.obolibrary.org/obo/FOODON_03460229)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n* has substance added 'animal fat or oil added' (http://purl.obolibrary.org/obo/FOODON_03460262)\n subset: subset_siren xref: SUBSET_SIREN:F12067 is_a: FOODON:03310675 ! luncheon meat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Salami xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03312068 name: tea (decaffeinated) comment: SIREN DB annotation:\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n* formed as a result of 'decaffeination process' (http://purl.obolibrary.org/obo/FOODON_03460140)\n subset: subset_siren xref: SUBSET_SIREN:F12068 is_a: FOODON:03315081 ! tea food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315013 name: snack food def: "A snack is a small portion of food and generally eaten between meals." [] subset: subset_siren xref: SUBSET_SIREN:F15013 is_a: FOODON:00002373 ! food product by meal type relationship: RO:0002350 FOODON:03400228 ! member of snack food (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000114 "snack" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Snack property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315027 name: sweetener (nonnutritive) def: "A sweetener which has little or no caloric or nutrient content." [] subset: subset_siren synonym: "artificial sweetener" EXACT [] xref: langual:thesaurus.asp?termid=H0108 xref: SUBSET_SIREN:F15027 is_a: FOODON:00002300 ! sweetener food product relationship: RO:0002350 FOODON:03400142 ! member of nonnutritive sweetener (us cfr) property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://www.nal.usda.gov/human-nutrition-and-food-safety/food-composition/sweeteners property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315081 name: tea food product def: "An aromatic beverage commonly prepared by pouring hot or boiling water over cured leaves of the Camellia sinensis, an evergreen shrub (bush) native to East Asia." [] comment: SIREN DB annotation:\n* derives from 'leaf' (http://purl.obolibrary.org/obo/FOODON_03420200)\n subset: subset_siren synonym: "tea" EXACT [] xref: SUBSET_SIREN:F15081 is_a: FOODON:00001138 ! tea based beverage product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Tea property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315150 name: mammalian milk product comment: SIREN DB annotation:\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n subset: subset_siren xref: SUBSET_SIREN:F15150 is_a: FOODON:00001257 ! milk or milk based food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315171 name: multivitamin preparation comment: SIREN DB annotation:\n* has substance added http://purl.obolibrary.org/obo/FOODON_03460163\n* has substance added 'nutrient or dietary substance added' (http://purl.obolibrary.org/obo/FOODON_03460194)\n subset: subset_siren xref: SUBSET_SIREN:F15171 is_a: FOODON:00002337 ! vitamin as food supplement food product relationship: RO:0002350 FOODON:03400308 ! member of supplemental formulation (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315173 name: fish product (unspecified species) def: "A fish product is a home-made or commercially produced or retail or wholesale product containing substantial amounts of freshwater or saltwater fish and/or shellfish flesh. Note that this category should avoid items that mention a particular species of fish or shellfish." [] comment: SIREN DB annotation:\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F15173 is_a: FOODON:00001248 ! fish food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://en.wikipedia.org/wiki/Fish_products xsd:string [Term] id: FOODON:03315184 name: whole wheat kernel def: "A caryopsis fruit of a whole wheat wheat plant." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n\nThis is a duplicate quality and so is being deprecated:\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155) subset: subset_siren synonym: "wheat" EXACT [] synonym: "whole wheat kernel" EXACT [] synonym: "whole wheat seed" EXACT [] xref: SUBSET_SIREN:F15184 is_a: FOODON:03307448 ! whole wheat food product is_a: PO:0030104 ! caryopsis fruit intersection_of: PO:0030104 ! caryopsis fruit intersection_of: PO:0030104 ! caryopsis fruit intersection_of: in_taxon NCBITaxon:4564 {all_some="true", all_only="true"} ! Triticum intersection_of: RO:0001000 NCBITaxon:4564 ! derives from Triticum relationship: in_taxon NCBITaxon:4564 ! Triticum relationship: RO:0001000 NCBITaxon:4564 ! derives from Triticum property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Wheat xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso http://kswheat.com/news/2014/12/02/which-wheat-for-what [Term] id: FOODON:03315188 name: oat kernel comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F15188 is_a: FOODON:00001189 ! oat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315233 name: walnut (whole, raw) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* has quality 'not heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440003)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren synonym: "walnut" EXACT [] xref: SUBSET_SIREN:F15233 is_a: FOODON:03301364 ! walnut (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315252 name: cod liver oil emulsion comment: SIREN DB annotation:\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n* formed as a result of 'food homogenization or emulsification process' (http://purl.obolibrary.org/obo/FOODON_03460306)\n subset: subset_siren xref: SUBSET_SIREN:F15252 is_a: FOODON:00001750 ! cod food product is_a: FOODON:03306123 ! fish oil intersection_of: FOODON:03306123 ! fish oil intersection_of: RO:0001000 FOODON:03411423 ! derives from cod property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315258 name: pancake comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* formed as a result of 'griddle cooking' (http://purl.obolibrary.org/obo/FOODON_03450008)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n* has substance added 'chemical leavening agent added' (http://purl.obolibrary.org/obo/FOODON_03460351)\n subset: subset_siren xref: SUBSET_SIREN:F15258 is_a: FOODON:00002080 ! pancake or waffle food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315259 name: waffle comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 0.3-1.5 cm.' (http://purl.obolibrary.org/obo/FOODON_03430140)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* formed as a result of 'griddle cooking' (http://purl.obolibrary.org/obo/FOODON_03450008)\n subset: subset_siren xref: SUBSET_SIREN:F15259 is_a: FOODON:00002080 ! pancake or waffle food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315272 name: pastry comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* derives from 'seed, skin removed, germ removed (endosperm)' (http://purl.obolibrary.org/obo/FOODON_03420208)\n* has substance added 'sucrose added' (http://purl.obolibrary.org/obo/FOODON_03460158)\n subset: subset_siren xref: SUBSET_SIREN:F15272 is_a: FOODON:00002350 ! wheat based pastry food product relationship: RO:0002350 FOODON:03400202 ! member of pastry, sweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315295 name: catsup comment: SIREN DB annotation:\n* has quality 'semiliquid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430135)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n* formed as a result of 'alcohol-acetic acid fermentation process' (http://purl.obolibrary.org/obo/FOODON_03460123)\n* formed as a result of 'acidified' (http://purl.obolibrary.org/obo/FOODON_03460200)\n* has substance added 'sugar or sugar syrup added' (http://purl.obolibrary.org/obo/FOODON_03460136)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren xref: SUBSET_SIREN:F15295 is_a: FOODON:00001133 ! condiment food product intersection_of: FOODON:00001133 ! condiment food product intersection_of: RO:0001000 FOODON:00002318 ! derives from tomato substance relationship: RO:0001000 FOODON:00002318 ! derives from tomato substance property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315308 name: vegetable (whole or parts) def: "A whole vegetable or some substance made from a processed vegetable." [] synonym: "vegetable" EXACT [] is_a: FOODON:00001261 ! vegetable food product property_value: http://purl.org/dc/elements/1.1/date 2022-04-13T09:20:12Z xsd:dateTime property_value: IAO:0000119 https://en.wikipedia.org/wiki/Vegetable xsd:string [Term] id: FOODON:03315324 name: cereal product (solid) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F15324 is_a: FOODON:00001709 ! cereal food product relationship: RO:0002350 FOODON:03400125 ! member of grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315354 name: potato (whole) def: "A shoot axis tuber of a potato plant (Solanum tuberosum)." [] subset: subset_siren synonym: "potato" EXACT [] xref: SUBSET_SIREN:F15354 is_a: FOODON:00001148 ! potato food product is_a: PO:0004543 ! shoot axis tuber intersection_of: PO:0004543 ! shoot axis tuber intersection_of: in_taxon NCBITaxon:4113 {all_some="true", all_only="true"} ! Solanum tuberosum relationship: in_taxon NCBITaxon:4113 ! Solanum tuberosum property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315502 name: peach (whole) def: "A drupe fruit of a peach tree (Prunus persica)" [] subset: subset_siren synonym: "peach" EXACT [] xref: SUBSET_SIREN:F15502 is_a: FOODON:00002485 ! peach (whole or parts) is_a: PO:0030103 ! drupe fruit intersection_of: PO:0030103 ! drupe fruit intersection_of: in_taxon NCBITaxon:3760 {all_some="true", all_only="true"} ! Prunus persica relationship: in_taxon NCBITaxon:3760 ! Prunus persica property_value: http://purl.org/dc/elements/1.1/date 2020-10-13T05:48:32 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315614 name: berry product comment: SIREN DB annotation:\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n subset: subset_siren xref: SUBSET_SIREN:F15614 is_a: FOODON:00001640 ! berry food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315615 name: fruit food product comment: SIREN DB annotation:\n* derives from 'fruit part' (http://purl.obolibrary.org/obo/FOODON_03420167)\n subset: subset_siren xref: SUBSET_SIREN:F15615 is_a: FOODON:00001057 ! plant fruit food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315702 name: sweetener (table-top) comment: SIREN DB annotation:\n* has substance added 'nonnutritive sweetener added' (http://purl.obolibrary.org/obo/FOODON_03460108)\n subset: subset_siren xref: SUBSET_SIREN:F15702 is_a: FOODON:00002300 ! sweetener food product relationship: RO:0002350 FOODON:03400237 ! member of sweetener (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03315904 name: sausage (whole) def: "A food product that is highly seasoned minced meat and is encased in a skin in the shape of a cylinder." [] comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* derives from 'meat part of animal' (http://purl.obolibrary.org/obo/FOODON_03420103)\n* has substance added 'flavoring, spice or herb added' (http://purl.obolibrary.org/obo/FOODON_03460227)\n subset: subset_siren synonym: "sausage" EXACT [] xref: SUBSET_SIREN:F15904 is_a: FOODON:00001007 ! sausage food product relationship: RO:0002350 FOODON:03400221 ! member of sausage or luncheon meat (us cfr) property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Sausage xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316034 name: snack (potato-based) comment: SIREN DB annotation:\n* derives from 'root, tuber or bulb' (http://purl.obolibrary.org/obo/FOODON_03420238)\n subset: subset_siren xref: SUBSET_SIREN:F16034 is_a: FOODON:00002797 ! potato prepared food is_a: FOODON:03315013 ! snack food relationship: FOODON:00002420 FOODON:00002796 ! has ingredient potato substance property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316061 name: hen egg (whole) def: "An egg produced by a chicken hen." [] comment: This term is ambiguous about whether shell remains on egg or not, i.e. this encompasses both an uncooked egg in shell, or a boiled peeled egg, or a fried egg.\n\nSIREN DB annotation:\n* derives from 'whole egg' (http://purl.obolibrary.org/obo/FOODON_03420274) subset: subset_siren synonym: "chicken egg" EXACT [] synonym: "egg" BROAD [] synonym: "hen egg" EXACT [] xref: SUBSET_SIREN:F16061 is_a: FOODON:00001275 ! hen egg food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316079 name: herbal infusion comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* has quality 'heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440022)\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n* formed as a result of 'steeping' (http://purl.obolibrary.org/obo/FOODON_03450036)\n subset: subset_siren xref: SUBSET_SIREN:F16079 is_a: FOODON:00002275 ! steeped beverage product intersection_of: FOODON:00002275 ! steeped beverage product intersection_of: RO:0001000 FOODON:03411179 ! derives from spice or flavor-producing plant relationship: RO:0001000 FOODON:03411179 ! derives from spice or flavor-producing plant relationship: RO:0002350 FOODON:03400268 ! member of steeped beverage (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316090 name: sport drink comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity' (http://purl.obolibrary.org/obo/FOODON_03430109)\n subset: subset_siren xref: SUBSET_SIREN:F16090 is_a: FOODON:00002057 ! nonalcoholic beverage is_a: FOODON:00002339 ! water based soft drink food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316213 name: cereal (dry) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F16213 is_a: FOODON:03315324 ! cereal product (solid) relationship: RO:0002350 FOODON:03400258 ! member of breakfast cereal (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316271 name: sugar product comment: SIREN DB annotation:\n* derives from 'sugar' (http://purl.obolibrary.org/obo/FOODON_03420108)\n subset: subset_siren xref: SUBSET_SIREN:F16271 is_a: FOODON:00002157 ! plant sweetener relationship: RO:0002350 FOODON:03400118 ! member of nutritive sweetener (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316347 name: onion (whole) def: "A bulb of an onion plant (Allium cepa)." [] comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'root, tuber or bulb, with peel' (http://purl.obolibrary.org/obo/FOODON_03420239)\n subset: subset_siren synonym: "bulb onion" EXACT [] synonym: "common onion" EXACT [] xref: SUBSET_SIREN:F16347 is_a: FOODON:00002069 ! onion food product is_a: PO:0025356 ! bulb intersection_of: PO:0025356 ! bulb intersection_of: in_taxon NCBITaxon:4679 {all_some="true", all_only="true"} ! Allium cepa relationship: in_taxon NCBITaxon:4679 ! Allium cepa property_value: http://purl.org/dc/elements/1.1/date 2020-10-21T05:43:41 xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316466 name: walnut (whole or parts) def: "A whole or processed walnut." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren synonym: "walnut" EXACT [] xref: SUBSET_SIREN:F16466 is_a: FOODON:00002338 ! walnut food product property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0001-5275-8866 property_value: http://purl.org/dc/elements/1.1/date 2022-04-13T12:47:02Z xsd:dateTime property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Walnut xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316522 name: tomato multi-component product comment: SIREN DB annotation:\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n subset: subset_siren xref: SUBSET_SIREN:F16522 is_a: FOODON:03316579 ! multi-component plant food product relationship: FOODON:00001563 FOODON:03301453 ! has defining ingredient tomato (whole) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316579 name: multi-component plant food product comment: SIREN DB annotation:\n* derives from 'part of plant' (http://purl.obolibrary.org/obo/FOODON_03420174)\n subset: subset_siren xref: SUBSET_SIREN:F16579 is_a: FOODON:00002501 ! multi-component food product relationship: RO:0002350 FOODON:03400152 ! member of vegetable or vegetable product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316694 name: vegetable fat food product comment: SIREN DB annotation:\n* derives from 'fat or oil' (http://purl.obolibrary.org/obo/FOODON_03420190)\n subset: subset_siren xref: SUBSET_SIREN:F16694 is_a: FOODON:00002139 ! plant fat or oil refined food product is_a: FOODON:03460263 ! vegetable fat or oil property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316754 name: crystaline fructose def: "A commercial product which is monosaccharide fructose, dried, ground, and of high purity." [] comment: SIREN DB annotation:\n* has quality 'crystal' (http://purl.obolibrary.org/obo/FOODON_03430143)\n* derives from 'fructose' (http://purl.obolibrary.org/obo/CHEBI_28757)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren synonym: "crystaline fructose" EXACT [] xref: SUBSET_SIREN:F16754 is_a: FOODON:00002157 ! plant sweetener relationship: RO:0001000 CHEBI:28757 ! derives from fructose relationship: RO:0002350 FOODON:03400118 ! member of nutritive sweetener (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Fructose property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316908 name: coconut food product def: "A product that uses coconut as a material." [] comment: SIREN DB annotation:\n* derives from 'seed, skin removed, germ present' (http://purl.obolibrary.org/obo/FOODON_03420132)\n subset: subset_siren xref: SUBSET_SIREN:F16908 is_a: FOODON:00001172 ! nut food product intersection_of: FOODON:00001172 ! nut food product intersection_of: RO:0001000 NCBITaxon:13894 ! derives from Cocos nucifera relationship: RO:0001000 NCBITaxon:13894 ! derives from Cocos nucifera property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03316937 name: coffee bean (decaffeinated, roasted) comment: SIREN DB annotation:\n* has quality 'medium ground' (http://purl.obolibrary.org/obo/FOODON_03430117)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'water removal process' (http://purl.obolibrary.org/obo/FOODON_03460138)\n* formed as a result of 'decaffeination process' (http://purl.obolibrary.org/obo/FOODON_03460140)\n* formed as a result of 'roasting seed process' (http://purl.obolibrary.org/obo/FOODON_03460391)\n* formed as a result of 'preservation by dehydration or drying' (http://purl.obolibrary.org/obo/FOODON_03470116)\n subset: subset_siren xref: SUBSET_SIREN:F16937 is_a: FOODON:03317450 ! coffee bean (roasted) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317170 name: meat (whole or parts) def: "A meat product is a product organized by the form of - or processing done to - its meat component (a skeletal meat part of an animal or crustacean)." [] comment: SIREN DB annotation:\n* derives from 'animal body or body part' (http://purl.obolibrary.org/obo/FOODON_03420127)\n subset: subset_siren xref: SUBSET_SIREN:F17170 is_a: FOODON:00001006 ! mammalian meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317254 name: beetroot (whole) def: "A primary root of a commonbeet plant (Beta vulgaris)." [] subset: subset_siren synonym: "beet" EXACT [] synonym: "beetroot" EXACT [] xref: SUBSET_SIREN:F17254 is_a: FOODON:00001638 ! beet food product is_a: PO:0020127 ! primary root intersection_of: PO:0020127 ! primary root intersection_of: in_taxon NCBITaxon:161934 {all_some="true", all_only="true"} ! Beta vulgaris relationship: in_taxon NCBITaxon:161934 ! Beta vulgaris property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317288 name: pie (baked) comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming, thickness 1.5-7 cm.' (http://purl.obolibrary.org/obo/FOODON_03430105)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n* has substance added 'grain added' (http://purl.obolibrary.org/obo/FOODON_03460152)\n subset: subset_siren xref: SUBSET_SIREN:F17288 is_a: FOODON:00002114 ! pie food product is_a: FOODON:00002456 ! food (baked) intersection_of: FOODON:00002114 ! pie food product intersection_of: FOODON:00002456 ! food (baked) relationship: RO:0002350 FOODON:03400253 ! member of pie, sweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317327 name: pizza crust comment: SIREN DB annotation:\n* has quality 'semisolid with smooth consistency' (http://purl.obolibrary.org/obo/FOODON_03430119)\n* derives from 'seed (anatomical part)' (http://purl.obolibrary.org/obo/FOODON_03420155)\n subset: subset_siren xref: SUBSET_SIREN:F17327 is_a: FOODON:00001626 ! bakery food product is_a: FOODON:03310775 ! pizza food product relationship: RO:0001000 FOODON:03411324 ! derives from grain plant relationship: RO:0002350 FOODON:03400167 ! member of pizza crust (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317331 name: bacon (whole cut or parts) def: "Bacon whole cut or parts – is either a whole slab of bacon or cuts from a slab." [] comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* derives from 'skeletal meat part, without bone or shell' (http://purl.obolibrary.org/obo/FOODON_03420125)\n* formed as a result of 'smoked by smoke infiltration' (http://purl.obolibrary.org/obo/FOODON_03460118)\n* formed as a result of 'curing or aging process' (http://purl.obolibrary.org/obo/FOODON_03460253)\n subset: subset_siren xref: SUBSET_SIREN:F17331 is_a: FOODON:00001061 ! bacon food product is_a: FOODON:00002301 ! pork cured meat food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Bacon xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317337 name: ground beef patty comment: SIREN DB annotation:\n* has quality 'whole, shape achieved by forming' (http://purl.obolibrary.org/obo/FOODON_03430147)\n* derives from 'skeletal meat part, without bone, without skin' (http://purl.obolibrary.org/obo/FOODON_03420268)\n subset: subset_siren synonym: "beef hamburger patty" EXACT [] synonym: "beef patty" EXACT [] synonym: "beefburger" EXACT [] xref: SUBSET_SIREN:F10762 xref: SUBSET_SIREN:F17336 xref: SUBSET_SIREN:F17337 is_a: FOODON:00001282 ! ground beef food product property_value: http://purl.org/dc/elements/1.1/date 2019-08-26T14:16:46Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317344 name: poultry (cooked) comment: SIREN DB annotation:\n* has quality 'solid' (http://purl.obolibrary.org/obo/FOODON_03430151)\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'skeletal meat part' (http://purl.obolibrary.org/obo/FOODON_03420175)\n subset: subset_siren xref: SUBSET_SIREN:F17344 is_a: FOODON:03310611 ! poultry (whole or parts) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317387 name: corn kernel (whole) comment: SIREN DB annotation:\n* has quality 'whole, natural shape' (http://purl.obolibrary.org/obo/FOODON_03430150)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n subset: subset_siren xref: SUBSET_SIREN:F17387 is_a: FOODON:00003427 ! maize kernel property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317450 name: coffee bean (roasted) comment: SIREN DB annotation:\n* has quality 'fully heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440014)\n* derives from 'seed, skin present, germ present' (http://purl.obolibrary.org/obo/FOODON_03420133)\n* formed as a result of 'food baking process' (http://purl.obolibrary.org/obo/FOODON_03450005)\n subset: subset_siren xref: SUBSET_SIREN:F17450 is_a: FOODON:03301477 ! coffee bean (whole or ground) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317492 name: cheese analog, dairy-based subset: subset_siren xref: SUBSET_SIREN:F17492 is_a: FOODON:00001712 ! cheese product analog intersection_of: FOODON:00001301 FOODON:00001013 ! has food substance analog cheese food product intersection_of: RO:0001000 FOODON:03302116 ! derives from cow milk (liquid) relationship: RO:0001000 FOODON:03302116 ! derives from cow milk (liquid) relationship: RO:0002350 FOODON:03400128 ! member of cheese product analog (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317494 name: beverage (almond, non-alcoholic) comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n* derives from 'fruit or seed' (http://purl.obolibrary.org/obo/FOODON_03420165)\n subset: subset_siren xref: SUBSET_SIREN:F17494 is_a: FOODON:00001587 ! almond food product is_a: FOODON:03301977 ! beverage food product intersection_of: FOODON:00001587 ! almond food product intersection_of: FOODON:03301977 ! beverage food product relationship: RO:0002350 FOODON:03400112 ! member of nonalcoholic beverage (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03317575 name: skim milk (pasteurized) comment: SIREN DB annotation:\n* has quality 'liquid, low viscosity, with no visible particles' (http://purl.obolibrary.org/obo/FOODON_03430123)\n* has quality 'partially heat-treated' (http://purl.obolibrary.org/obo/FOODON_03440018)\n* derives from 'milk (mammary secretion)' (http://purl.obolibrary.org/obo/UBERON_0001913)\n* formed as a result of 'full fat removal process' (http://purl.obolibrary.org/obo/FOODON_03460248)\n* formed as a result of 'preservation by heat treatment' (http://purl.obolibrary.org/obo/FOODON_03470120)\n* formed as a result of 'pasteurization by heating' (http://purl.obolibrary.org/obo/FOODON_03470135)\n subset: subset_siren xref: SUBSET_SIREN:F17575 is_a: FOODON:00003237 ! skim milk (liquid) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400100 name: pie, unsweetened, or pizza (us cfr) comment: LanguaL curation note: Used only for unsweetened products; sweetened pies are indexed under *PIE, SWEETENED*. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0100 is_a: FOODON:03400102 ! prepared food product with bakery base or enclosure, unsweetened (us cfr) property_value: hasSynonym "pizza pie" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400101 name: cultured milk product (us cfr) def: "Milk modified by adding acid-producing and/or flavor-producing bacteria under controlled conditions." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0101 is_a: FOODON:03400148 ! milk or milk product (us cfr) property_value: hasSynonym "milk product, cultured" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400102 name: prepared food product with bakery base or enclosure, unsweetened (us cfr) xref: http://www.langual.org/langual_thesaurus.asp?termid=A0102 is_a: FOODON:03400172 ! prepared food product (us cfr) property_value: hasSynonym "crepe, dinner" xsd:string property_value: hasSynonym "taco, prepared" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400105 name: dressing, condiment, gravy or sauce (us cfr) def: "Seasoned product that contains multiple ingredients and that is used in limited amounts to accompany other foods; excludes flavors, spices and herbs." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0105 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: hasSynonym "condiment, dressing, gravy or sauce" xsd:string property_value: hasSynonym "gravy, condiment, dressing or sauce" xsd:string property_value: hasSynonym "sauce, condiment, dressing or gravy" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400106 name: prepared grain or starch product (us cfr) def: "Food product prepared by drying and/or cooking a mixture of milled grain or non-grain starch with a liquid and usually other ingredients such as sweeteners or fats. Includes sweetened and unsweetened bakery products, macaroni or noodle products and breakfast cereals. Excludes *PUDDING, STARCH*, which is under *CUSTARD OR PUDDING*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0106 is_a: FOODON:03400125 ! grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400107 name: bakery product, unsweetened (us cfr) def: "Includes breads, crackers, pie or pizza crusts and pretzels. Excludes glazed, filled or frosted bakery products, which fall under *BAKERY PRODUCT, SWEETENED* and unsweetened filled products that fall under *PREPARED FOOD PRODUCT WITH BAKERY BASE OR ENCLOSURE, UNSWEETENED* or the appropriate narrower term. See 21 CFR for description of some subgroups." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0107 is_a: FOODON:03400191 ! bakery product (us cfr) property_value: hasSynonym "crepe, unfilled" xsd:string property_value: hasSynonym "unfilled crepe" xsd:string property_value: hasSynonym "unsweetened bakery product" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400112 name: nonalcoholic beverage (us cfr) def: "Beverage containing no more than 0.5% alcohol; it may be flavored, sweetened or carbonated; includes soft drinks and steeped beverages; excludes milk in all forms, fruit juices, diluted fruit juices and vegetable juices." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0112 is_a: FOODON:03400229 ! beverage (us cfr) relationship: RO:0002351 FOODON:00002057 ! has member nonalcoholic beverage property_value: hasSynonym "malt beverage, nonalcoholic" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400113 name: spice or herb (us cfr) def: "Aromatic or pungent plant product used whole or ground as a seasoning in food products." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0113 is_a: FOODON:03400133 ! flavoring or seasoning (us cfr) property_value: hasSynonym "herb or spice" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400114 name: frozen dairy dessert (us cfr) def: "A frozen dessert prepared from one or more dairy ingredients or their analogs, plus other ingredients. Includes frozen dairy items offered in a cone, a sandwich or as a cake or pie, such as frozen yogurt in a cone or an ice cream sandwich; these are also indexed under *GRAIN ADDED*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0114 is_a: FOODON:03400164 ! dairy product (us cfr) property_value: hasSynonym "dairy dessert, frozen" xsd:string property_value: hasSynonym "dessert, frozen dairy" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400115 name: cheese or cheese product (us cfr) def: "Natural cheese, cured or uncured, cheese product (which is further processed), or cheese product analog." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0115 is_a: FOODON:03400164 ! dairy product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://www.ecfr.gov/cgi-bin/text-idx?node=pt21.2.133 [Term] id: FOODON:03400118 name: nutritive sweetener (us cfr) def: "A substance having greater than 2% of the caloric value of sucrose per equivalent unit of sweetening capacity. For example, the amount of such subtance having the sweetening capacity of 1 teaspoon of sucrose would have more than 0.4 calories (21 CFR 170.3(o)(21))." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0118 is_a: FOODON:03400237 ! sweetener (us cfr) property_value: hasSynonym "nutritive carbohydrate sweetener" xsd:string property_value: hasSynonym "sweetener, nutritive" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400125 name: grain or starch product (us cfr) def: "Any form of whole or milled grain, prepared grain product or starch containing product derived from non-grain sources. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0125 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400128 name: cheese product analog (us cfr) def: "Food product having functional characteristics similar to those of cheese or cheese product; it may be nutritionally equivalent or inferior to the product it purports to resemble. The ingredients may or may not be milk-based. An example is a cheese-like product made from skim milk and vegetable oil." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0128 is_a: FOODON:03400115 ! cheese or cheese product (us cfr) property_value: hasSynonym "cheese substitute" xsd:string property_value: hasSynonym "cheese, imitation" xsd:string property_value: hasSynonym "imitation cheese" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400129 name: refined or partially-refined food product (us cfr) def: "Extract, concentrate or isolate derived from a food source through one or more refining steps (see *EXTRACT, CONCENTRATE OR ISOLATE OF PLANT OR ANIMAL*) and marketed as such. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0129 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400131 name: poultry-based sausage or luncheon meat (us cfr) def: "Food product consisting of comminuted poultry meat, usually seasoned, pressed and/or encased." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0131 is_a: FOODON:03400273 ! poultry or poultry product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400132 name: meat product analog (us cfr) def: "Food product having functional characteristics similar to a meat product; it may be nutritionally equivalent or inferior to the product it purports to resemble. Typically these products are soybean-based." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0132 is_a: FOODON:03400150 ! meat or meat product (from mammal) (us cfr) property_value: hasSynonym "imitation meat" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400133 name: flavoring or seasoning (us cfr) def: "Product that imparts or helps to impart a taste or aroma in food (21 CFR.170.3(n)(26). [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0133 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: hasSynonym "seasoning or flavoring" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400135 name: bakery product, sweetened (us cfr) def: "Includes cakes, cookies, pies, quick breads, doughnuts and related products, also bakery products that are glazed, frosted or have a sweetened filling. If sugar is not the first ingredient, *SUGAR OR SUGAR SYRUP ADDED* as well as *SWEETENER ADDED* (or the appropriate narrower term under each) should be indexed in *H. TREATMENT APPLIED*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0135 is_a: FOODON:03400191 ! bakery product (us cfr) property_value: hasSynonym "crepe, dessert" xsd:string property_value: hasSynonym "dessert crepe" xsd:string property_value: hasSynonym "sweetened bakery product" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400136 name: nonstandardized dressing (us cfr) def: "Dressing for which no standards of identity are specified in the CFR." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0136 is_a: FOODON:03400276 ! dressing for food (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400139 name: multicomponent meal (us cfr) def: "A multiple-component food product typically containing a protein source, a vegetable, and a potato, rice or cereal-based component packaged to be served after heating, either as separate items or courses or mixed as recipe components; see 21 CFR 102.26, 102.28 and 104.47 for nutritional quality guidelines." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0139 is_a: FOODON:03400172 ! prepared food product (us cfr) property_value: hasSynonym "compartmentalized dinner" xsd:string property_value: hasSynonym "dinner with components separated in serving containers" xsd:string property_value: hasSynonym "dinner, compartmentalized" xsd:string property_value: hasSynonym "food packs with separate components" xsd:string property_value: hasSynonym "heat and serve dinner" xsd:string property_value: hasSynonym "multiple-course dinner" xsd:string property_value: hasSynonym "tv dinner" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400142 name: nonnutritive sweetener (us cfr) def: "Substance having less than 2% of the caloric value of sucrose per equivalent unit of sweetening capacity. For example, the amount of such substance having the sweetening capacity of 1 teaspoon of sucrose would have no more than 0.4 calories (21 CFR 170.3(o)(19))." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0142 is_a: FOODON:03400237 ! sweetener (us cfr) property_value: hasSynonym "sweetener, nonnutritive" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400143 name: fruit or fruit product (us cfr) def: "Fruit in all forms; includes fruit juices and fruit juice drinks, fruit butters, jellies, preserves, and related products." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0143 is_a: FOODON:03400257 ! fruit or vegetable product (us cfr) property_value: hasSynonym "pie filling, fruit" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400147 name: milk or milk product analog (us cfr) def: "Food product having functional characteristics similar to milk or milk products, including cream product analogs, margarine, and milk analogs. Certain alternate ingredients are substituted for those components that are responsible for specific functional properties." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0147 is_a: FOODON:03400148 ! milk or milk product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400148 name: milk or milk product (us cfr) def: "Milk in all forms, milk-based beverage, cultured milk product, or milk or milk product analog. Index infant formula under *MEAL REPLACEMENT*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0148 is_a: FOODON:03400164 ! dairy product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400149 name: milled grain or starch product (us cfr) def: "Food product prepared by milling a grain or by producing flour, meal or grits from a non-grain source such as beans, starchy roots or tubers. Refined starch is indexed under *REFINED OR PARTIALLY REFINED FOOD PRODUCT*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0149 is_a: FOODON:03400125 ! grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400150 name: meat or meat product (from mammal) (us cfr) def: "Meat (flesh and organs including blood and bone marrow) from mammals. Used for meat in all forms including cured meat, sausage or luncheon meat and meat product analogs." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0150 is_a: FOODON:03400217 ! meat, poultry, seafood or related product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400152 name: vegetable or vegetable product (us cfr) def: "Vegetables in all forms except where a use-related product type descriptior (such as *PREPARED FOOD PRODUCT* or *SNACK FOOD*) takes precedence." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0152 is_a: FOODON:03400257 ! fruit or vegetable product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400155 name: fruit butter, jelly, preserve or related product (us cfr) def: "Semisolid or jelled food prepared from fruit or fruit juice and other ingredients prescribed for the individual products (21 CFR 150)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0155 is_a: FOODON:03400143 ! fruit or fruit product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400164 name: dairy product (us cfr) def: "Milk, a product derived from milk, or a dairy product analog; includes cheese and frozen dairy desserts. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0164 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400167 name: pizza crust (us cfr) def: "Yeast-leavened bread that is used as a base for filling, particularly to make pizza." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0167 is_a: FOODON:03400178 ! bread (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400172 name: prepared food product (us cfr) def: "Food product that is 1) ready or nearly ready for consumption; 2) usually a composite of several foods or ingredients that often belong to distinct product types; 3) usually formulated, mixed and partially or fully cooked. Prepared foods often undergo several of the processes listed in *F. EXTENT OF HEAT TREATMENT* and *H. TREATMENT APPLIED*; these factors should be carefully considered in indexing. The classification of prepared food products emphasizes consumption characteristics. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0172 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: hasSynonym "prepared dish" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400178 name: bread (us cfr) def: "Unsweetened bakery product that may be unleavened or yeast-leavened and may be baked in various forms. Excludes pie crust." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0178 is_a: FOODON:03400107 ! bakery product, unsweetened (us cfr) property_value: hasSynonym "bun, roll, or bread" xsd:string property_value: hasSynonym "roll, bun, or bread" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400179 name: condiment or relish (us cfr) def: "Food product that is usually pungent, tart, salty, or spicy and is used to enhance the flavors of other foods; includes catsup, relish, prepared mustard, prepared horseradish, and condiment sauces." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0179 is_a: FOODON:03400105 ! dressing, condiment, gravy or sauce (us cfr) property_value: hasSynonym "relish or condiment" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400182 name: milk analog (us cfr) def: "Food product having functional characteristics similar to milk; it may be nutritionally equivalent or inferior to the product it purports to resemble." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0182 is_a: FOODON:03400147 ! milk or milk product analog (us cfr) property_value: hasSynonym "imitation milk" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400183 name: quick bread, sweetened (us cfr) def: "Chemically leavened sweetened bakery product that may contain other ingredients such as fruits, nuts or that may be filled." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0183 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: hasSynonym "fruit bread" xsd:string property_value: hasSynonym "nut bread" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400185 name: uncured cheese (us cfr) def: "Natural cheese that is not cured or is cured for less than 7 days. It may undergo some further processing, such as creaming. It is consumed fresh and has a mild acid flavor. Moisture max. 80%. Includes such products as cottage cheese, cream cheese and mozzarella cheese." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0185 is_a: FOODON:03400187 ! natural cheese (us cfr) property_value: hasSynonym "soft cheese" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400187 name: natural cheese (us cfr) def: "Cheese made from milk or milk components, such as cream, by the following process: (1) produce curd through coagulation of milk by bacterial action and/or enzymes and/or acidification and draining of whey. (2) For cured cheese only: cure the curd. Excludes products made through further processing, such as comminuting (see *CHEESE PRODUCT*)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0187 is_a: FOODON:03400115 ! cheese or cheese product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400188 name: confectionery (us cfr) def: "Candy or other food product made with sweeteners and frequently containing nuts, fruits, starches, flavorings and other foods (21 CFR 170.3(n)(9). [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0188 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400191 name: bakery product (us cfr) def: "Prepared grain product made by baking or frying. Includes doughs, batters and mixes." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0191 is_a: FOODON:03400106 ! prepared grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400194 name: pancake or waffle (us cfr) def: "A thin, sweetened bakery product griddled or cooked in a heated mold." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0194 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: hasSynonym "waffle or pancake" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400202 name: pastry, sweetened (us cfr) def: "Sweetened bakery product consisting of a sweetened or unsweetened pastry shell or enclosure containing a sweetened filling, usually fruit, cheese or custard. Examples would be apple strudel, danish pastry or cream puff." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0202 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400203 name: cookie (us cfr) def: "Sweetened bakery product baked in individual portions that are usually small and flat." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0203 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400204 name: candy (us cfr) def: "Food product prepared by heating a mixture of sweeteners and other optional ingredients according to the specific formula for each subgroup." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0204 is_a: FOODON:03400188 ! confectionery (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400211 name: frozen yogurt (us cfr) def: "A frozen dessert prepared from yogurt and other ingredients." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0211 is_a: FOODON:03400114 ! frozen dairy dessert (us cfr) property_value: hasSynonym "yogurt, frozen" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400215 name: flavoring (us cfr) def: "Natural or synthetic product, dissolved in a suitable solvent or carried on an appropriate dry base and added to a food product to enhance or impart taste and aroma." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0215 is_a: FOODON:03400300 ! flavoring or flavor enhancer (us cfr) property_value: hasSynonym "aroma" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400217 name: meat, poultry, seafood or related product (us cfr) def: "Products of the flesh of animals. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0217 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400218 name: sandwich (us cfr) comment: LanguaL curation note: Sandwich takes precedent over other product types. Examples: peanut butter and jelly sandwich, tuna sandwich, egg salad sandwich or hamburger on roll. The filling of a sandwich is always indexed as the food source, even if the bread is the same weight or outweighs the filling ingredient(s). The bread would be indexed by *GRAIN ADDED* or the appropriate narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0218 is_a: FOODON:03400102 ! prepared food product with bakery base or enclosure, unsweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400221 name: sausage or luncheon meat (us cfr) def: "This category includes a wide variety of products made from comminuted or chopped meat (skeletal and/or organ meat) that is usually salted and/or seasoned and often stuffed in an edible or inedible casing. Includes products such as pork sausage, pickle or pimiento loaf, meat spread and pate, and products made by binding meat chunks with gelatin or other binders, such as sectioned and formed ham, beef rolls, and headcheese. Excludes plain ground meat, meat loaf and products made by slicing intact muscle or other tissue, even if packaged and marketed like luncheon meat. Index all processes applied to the product at hand; examples: *FULLY HEAT TREATED*, *CURED FOR 2 MONTHS*, *SMOKED*, *FERMENTED*, *EMULSIFIED OR HOMOGENIZED*. Also consider *PARTICLE SIZE IN SOLID FORMED PRODUCTS* and *TYPEOF SAUSAGE CASING* in *Z. ADJUNCT CHARACTERISTICS OF FOOD*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0221 is_a: FOODON:03400150 ! meat or meat product (from mammal) (us cfr) property_value: hasSynonym "luncheon meat" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400222 name: dessert (us cfr) def: "Sweetened prepared product usually consumed after the main course in a meal. Excludes fruit or fruit products, bakery products and confectionery." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0222 is_a: FOODON:03400172 ! prepared food product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400228 name: snack food (us cfr) def: "Unsweetened food product marketed for consumption between meals; excludes nuts, edible seeds, and sweetened products such as cakes, puddings and candies. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0228 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400229 name: beverage (us cfr) def: "Alcoholic or nonalcoholic beverage; excludes milk and milk-based beverages, fruit juices and fruit juice drinks, and vegetable juices. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0229 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type relationship: RO:0002351 FOODON:03301977 ! has member beverage food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400231 name: margarine (us cfr) def: "Food product having functional characteristics similar to those of butter; it is in plastic form or liquid emulsion and contains not less than 80% fat whose origin is vegetable or rendered animal carcass fats or a mixture of these as well as other optional ingredients specified by 21 CFR 166.110." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0231 is_a: FOODON:03400294 ! butter product analog (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400237 name: sweetener (us cfr) def: "A product added to a food item to achieve some degree of sweet taste; it may be nutritive or nonnutritive." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0237 is_a: FOODON:03400133 ! flavoring or seasoning (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400241 name: soft drink (us cfr) def: "Nonalcoholic beverage made from potable water by adding one or more of the following: carbon dioxide, flavoring ingredients or sweeteners. Naturally or artificially carbonated mineral waters are also considered soft drinks. Excludes products containing 15% or more fruit juice, which are indexed by the appropriate narrower term under *FRUIT JUICE OR RELATED PRODUCT*. Includes beverage bases to make soft drinks. Carbonated fruit juices are indexed by *FRUIT JUICE* or *FRUIT JUICE, DILUTED* and *CARBONATED* or the appropriate narrower term." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0241 is_a: FOODON:03400112 ! nonalcoholic beverage (us cfr) relationship: RO:0002351 FOODON:03316090 ! has member sport drink property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400242 name: cracker (us cfr) def: "Unsweetened bakery product baked in individual portions that are usually thin and crisp and may or may not be fat coated." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0242 is_a: FOODON:03400107 ! bakery product, unsweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400248 name: doughnut (us cfr) def: "Deep-fat fried sweetened bakery product that may be leavened with yeast or baking powder." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0248 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: hasSynonym "cruller" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400251 name: fruit preserve or jam (us cfr) def: "Viscous or semisolid fruit product made from whole fruits or pieces of fruit of one or more varieties and optional ingredients. Includes fruit preserve or jam (21 CFR 150.160) and artificially sweetened fruit preserve or jam (21 CFR 150.161). The specifications of starting mixture and finished soluble solids are the same as for fruit jelly." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0251 is_a: FOODON:03400155 ! fruit butter, jelly, preserve or related product (us cfr) property_value: hasSynonym "jam or fruit preserve" xsd:string property_value: hasSynonym "marmalade" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400253 name: pie, sweetened (us cfr) def: "Sweetened bakery product consisting of a sweetened or unsweetened pie crust and a sweetened filling. The filling is always indexed as the food source, even if the crust is the same weight or greater weight than the filling ingredient." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0253 is_a: FOODON:03400135 ! bakery product, sweetened (us cfr) property_value: hasSynonym "tart" xsd:string property_value: hasSynonym "turnover, sweetened" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400257 name: fruit or vegetable product (us cfr) def: "Fruits and vegetables in all forms. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0257 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400258 name: breakfast cereal (us cfr) def: "Prepared grain product ready or nearly ready for consumption and marketed primarily for breakfast use. Includes formulated breakfast cereals such as 'corn flakes' or 'cheerios' and simple breakfast cereals such as instant oatmeal. Excludes rolled oats, corn grits and similar products, which are indexed under *MILLED GRAIN OR STARCH PRODUCT*. See also *MILLED GRAIN OR STARCH PRODUCT*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0258 is_a: FOODON:03400106 ! prepared grain or starch product (us cfr) property_value: hasSynonym "cereal, breakfast" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400260 name: nut or nut product (us cfr) def: "Nuts in all forms, including nut butters and pastes." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0260 is_a: FOODON:03400306 ! nut or seed product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400261 name: egg or egg product (us cfr) def: "Fresh egg in shell, liquid, frozen, dried egg or egg component, or egg product analog. Includes boiled, poached, scrambled, and fried eggs. Excludes prepared egg dishes, such as omelettes." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0261 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400264 name: vegetable juice (us cfr) def: "The liquid extracted or expressed from mature vegetables with or without optional ingredients such as seasoning or salt. Products prepared from vegetable juice by thickening with gelatin or pectin are indexed under the broader term *VEGETABLE OR VEGETABLE PRODUCT*. For part or portion, index the part or the plant from which the juice was extracted, rather than *PLANT EXTRACT, CONCENTRATE, OR ISOLATE*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0264 is_a: FOODON:03400152 ! vegetable or vegetable product (us cfr) property_value: hasSynonym "juice, vegetable" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400267 name: seafood or seafood product (us cfr) def: "Flesh from fish or shellfish. Includes seafood product analogs and seafood-based sausage or luncheon meat as well as such products as squid ink and clam juice." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0267 is_a: FOODON:03400217 ! meat, poultry, seafood or related product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400268 name: steeped beverage (us cfr) def: "Beverage prepared by extracting flavor and other components from food sources by percolation and/or immersion in water, usually at near-boiling temperature." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0268 is_a: FOODON:03400112 ! nonalcoholic beverage (us cfr) relationship: RO:0002351 FOODON:00002275 ! has member steeped beverage product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400272 name: cacao or chocolate product (us cfr) def: "Any form of cacao, cacao product, chocolate, chocolate product or chocolate product analog except chocolate candy; includes such products as cacao beans, cacao nibs, chocolate liquor, sweet or milk chocolate, and chocolate syrup; excludes flavors and extracts derived from cacao beans and chocolate- or cacao-flavored foods (21 CFR 163). [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0272 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: hasSynonym "chocolate or cacao product" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400273 name: poultry or poultry product (us cfr) def: "Meat (flesh and organs including blood and bone marrow) from poultry. Used for poultry meat in all forms including poultry product analogs and poultry-based sausage or luncheon meat." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0273 is_a: FOODON:03400217 ! meat, poultry, seafood or related product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400275 name: macaroni or noodle product (us cfr) def: "A prepared grain or starch product made by forming units of dough composed of one or more flours, water and other ingredients. Macaroni, spaghetti and vermicelli may have *EGG WHITE ADDED*, but not egg yolk. Noodles, egg macaroni, egg spaghetti and egg vermicelli have *EGG YOLK ADDED* and should be so indexed. This refers to macaroni or noodles used as ingredients; excludes *PASTA DISH*, which is found under *PREPARED FOOD PRODUCT* (21 CFR 139)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0275 is_a: FOODON:03400106 ! prepared grain or starch product (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400276 name: dressing for food (us cfr) def: "Standardized or nonstandardized mixture of edible fats or oils, acidifying agents and optional ingredients such as sweeteners (nutritive or nonnutritive), starch, egg and seasonings. Used in limited amounts to accompany salads and other foods." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0276 is_a: FOODON:03400105 ! dressing, condiment, gravy or sauce (us cfr) property_value: hasSynonym "food dressing" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400279 name: cured meat (us cfr) def: "Meat product that has been preserved through treatment with salt (brining, dry salting or injection of salt solution), heating and drying." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0279 is_a: FOODON:03400150 ! meat or meat product (from mammal) (us cfr) property_value: hasSynonym "meat, cured" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400283 name: quick bread, unsweetened (us cfr) def: "Chemically leavened unsweetened bakery product such as biscuits or unsweetened cornbread." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0283 is_a: FOODON:03400107 ! bakery product, unsweetened (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400286 name: gravy or sauce (us cfr) def: "Nonstandardized food product used as a meal accompaniment and consisting of a mixture of fats or oils, starch, liquid and other optional ingredients specified by the recipe; excludes condiment sauce (q.v.) and tomato or spaghetti sauce, which are vegetable products." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0286 is_a: FOODON:03400105 ! dressing, condiment, gravy or sauce (us cfr) property_value: hasSynonym "sauce or gravy" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400288 name: chocolate candy def: "Candy with the predominant ingredient chocolate; includes chocolate bars and other forms when these are marketed as candy (21 CFR 163)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0288 is_a: FOODON:03400293 ! soft candy (us cfr) property_value: hasSynonym "candy, chocolate" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400289 name: USA agency food product type def: "Food group having common consumption, functional or manufacturing characteristics, e.g. *FRUIT OR VEGETABLE PRODUCT*, *DAIRY PRODUCT*, *CONFECTIONARY*, *PREPARED FOOD PRODUCT*, etc. [FDA CFSAN 1995]" [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0289 is_a: FOODON:03400361 ! agency food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400292 name: standardized dressing (us cfr) def: "Dressing for which standards of identity are specified in the CFR. Includes french dressing (21 CFR 169.115), mayonnaise (21 CFR 169.140) and salad dressing (21 CFR 169.150)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0292 is_a: FOODON:03400276 ! dressing for food (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400293 name: soft candy (us cfr) def: "Candy prepared by cooking a mixture of water, sugars and optional ingredients to a temperature of 250 degrees F. or less." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0293 is_a: FOODON:03400204 ! candy (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400294 name: butter product analog (us cfr) def: "Food product having functional characteristics similar to a butter product; it may be nutritionally equivalent or inferior to the product it purports to resemble." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0294 is_a: FOODON:03400147 ! milk or milk product analog (us cfr) property_value: hasSynonym "butter substitute" xsd:string property_value: hasSynonym "butter, imitation" xsd:string property_value: hasSynonym "imitation butter" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400300 name: flavoring or flavor enhancer (us cfr) xref: http://www.langual.org/langual_thesaurus.asp?termid=A0300 is_a: FOODON:03400133 ! flavoring or seasoning (us cfr) property_value: hasSynonym "flavor enhancer or flavoring" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400306 name: nut or seed product (us cfr) xref: http://www.langual.org/langual_thesaurus.asp?termid=A0306 is_a: FOODON:03401270 ! U.S. code of federal regulations, title 21 food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400308 name: supplemental formulation (us cfr) xref: http://www.langual.org/langual_thesaurus.asp?termid=A0308 is_a: FOODON:03400309 ! dietary or therapeutic formulation (us cfr) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400309 name: dietary or therapeutic formulation (us cfr) xref: http://www.langual.org/langual_thesaurus.asp?termid=A0309 is_a: FOODON:03400172 ! prepared food product (us cfr) property_value: hasSynonym "therapeutic formulation" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400356 name: European Union agency food product type comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0356 is_a: FOODON:03400361 ! agency food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400361 name: agency food product type def: "An agency food product type is a class of food product defined by an agency or consortium." [] comment: This class is designed to hold 3rd party food classification schemes which are being mapped to FoodOn classes using the 'has member' relation. The two hierarchies are not melded into a subclass polyhierarchy because of possible logical inconsistencies in the agency schemes. The hierarchies of agency schemes are as true to their agency representation as possible. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0361 is_a: FOODON:00002403 ! food material property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400777 name: eurofir food classification comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A0777 is_a: FOODON:03400356 ! European Union agency food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400793 name: meat or meat product (eurofir) def: "This category includes: carcass meat of mammals and birds; offal of mammals and birds; a food product whose predominant constituent is meat; a recipe dish whose main ingredient is considered to be meat." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0793 is_a: FOODON:03400777 ! eurofir food classification relationship: RO:0002351 FOODON:00001006 ! has member mammalian meat food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03400794 name: red meat (eurofir) def: "The group includes carcass meat of domestic animals (e.g. beef, veal, pork, mutton / lamb, horse, rabbit) and game (e.g. wild pig, boar, venison, whale)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A0794 is_a: FOODON:03400793 ! meat or meat product (eurofir) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401270 name: U.S. code of federal regulations, title 21 food product type def: "Food and Drugs, title 21, Code of Federal Regulations. Original food classification in LanguaL." [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A1270 is_a: FOODON:03400289 ! USA agency food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://www.ecfr.gov/cgi-bin/text-idx?SID=87f720ce0d0b6c4548f4bbfd1f8e4c3d&mc=true&tpl=/ecfrbrowse/Title21/21chapterI.tpl xsd:anyURI [Term] id: FOODON:03401298 name: dietary supplement def: "Index dietary/food supplements according to legal and market definitions." [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term.\n\nThe United States defines dietary supplements in the Dietary Supplement Health and Education Act of 1994 (DSHEA). Pub L 103-417, 108 STAT. 4235, (Oct. 25, 1994): A dietary supplement is a product taken by mouth that contains a "dietary ingredient" intended to supplement the diet. The "dietary ingredients" in these products may include: vitamins, minerals, herbs or other botanicals, amino acids, and substances such as enzymes, organ tissues, glandulars, and metabolites. Dietary supplements can also be extracts or concentrates, and may be found in many forms such as tablets, capsules, softgels, gelcaps, liquids, or powders.\n\nIn the European Union, food supplements are framed by two kinds of regulations: \n- the EU vertical regulation relating to food supplements, composed with the directive 2002/46/CE (essentially for the definition of food supplements) and the regulation 1170/2009 (which lists the vitamins and minerals, and the chemical forms of the substances allowed in food supplements); \n- the EU transversal regulation relating to foodstuffs and especially the 2006/1924 regulation concerning nutrition and health claims, and the EU labeling transversal regulations, 90/496/EC and 2008/100/EC.\nThe EU regulation 2002/46/CE defines food supplements as "foodstuffs the purpose of which is to supplement the normal diet and which are concentrated sources of nutrients or other substances with a nutritional or physiological effect, alone or in combination, marketed in dose form, namely forms such as capsules, pastilles, tablets, pills and other similar forms, sachets of powder, ampoules of liquids, drop dispensing bottles, and other similar forms of liquids and powders designed to be taken in measured small unit quantities". [Directive 2002/46/EC]\n\nCodex Alimentarius also includes supplements containing vitamins or dietary minerals [http://www.codexalimentarius.net/download/standards/10206/cxg_055e.pdf] subset: subset_siren xref: http://www.langual.org/langual_thesaurus.asp?termid=A1298 xref: langual:thesaurus.asp?termid=A1326 xref: SUBSET_SIREN:F15918 is_a: FOODON:00001874 ! food supplement food product relationship: RO:0002350 FOODON:03400308 ! member of supplemental formulation (us cfr) property_value: hasSynonym "food supplement" xsd:string property_value: hasSynonym "nutritional supplement" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401306 name: dietary supplement, botanical def: "Yeast, algae, or fungus based dietary supplement." [] comment: LanguaL curation note: Use for supplements based on plants, yeast, algae, and fungi (index in facet B).\nIf the supplement also contains vitamins or minerals use the appropriate descriptor under * DIETARY SUPPLEMENT, COMBINATION*. xref: http://www.langual.org/langual_thesaurus.asp?termid=A1306 is_a: FOODON:03401298 ! dietary supplement property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401308 name: probiotic or bacteria supplement def: "Probiotics are live microorganisms thought to be healthy for the host organism. According to the currently adopted definition by FAO/WHO, probiotics are selected \"live microorganisms which when administered in adequate amounts confer a health benefit on the host\".[FAO/WHO (2001) Health and Nutritional Properties of Probiotics in Food including Powder Milk with Live Lactic Acid Bacteria. Report of a Joint FAO/WHO Expert Consultation on Evaluation of Health and Nutritional Properties of Probiotics in Food Including Powder Milk with Live Lactic Acid Bacteria] \nLactic acid bacteria (LAB) and bifidobacteria are the most common types of microbes used as probiotics; but also certain yeasts and bacilli are available. [http://en.wikipedia.org/wiki/Probiotics]" [] comment: LanguaL curation note: Currently not used in US classification of dietary supplements. xref: http://www.langual.org/langual_thesaurus.asp?termid=A1308 is_a: FOODON:03401306 ! dietary supplement, botanical is_a: FOODON:03401309 ! dietary supplement, metabolite or precursor property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Probiotics xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401309 name: dietary supplement, metabolite or precursor def: "Includes hormone precursors; steroid precursors; 7-dehydrocholesterol, lutein, omega-3's, CoQ10" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A1309 is_a: FOODON:03401298 ! dietary supplement property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401310 name: fat or oil supplement def: "Includes omega-3 supplements, fish oil capsules, evening primrose capsules." [] comment: LanguaL curation note: Currently not used in US classification of dietary supplements. xref: http://www.langual.org/langual_thesaurus.asp?termid=A1310 is_a: FOODON:03401309 ! dietary supplement, metabolite or precursor property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03401895 name: efsa food classification and description system for exposure assessment (efsa foodex2) def: "FoodEx2 is a comprehensive food classification and description system aimed at covering the need to describe food in data collections across different food safety domains. After its first release in 2011, the system was broadly tested in various practical situations, allowing its evaluation and the identification of areas for improvement.\nThe present version in LanguaL is based on the FoodEx2 version Matrix 9.0 dated 2018-01-26 (downloaded 2018-02-07) and comprises the FoodEx2 Exposure Hierarchy. The FoodEx2 browser and FoodEx2 catalogue are available at GitHub: https://github.com/openefsa/catalogue-browser/wiki\n\nFor further information, see the Data Standardisation pages of the European Food Safety Authority website [https://www.efsa.europa.eu/en/data/data-standardisation].\n\n\nThe implementation of EFSA FoodEx2 facet term codes (FTC) in LanguaL follow closely the EFSA FoodEx2 codes; this means that the LanguaL facet term codes for all FoodEx2 descriptors are identical to the original EFSA FoodEx2 codes.\n\nEFSA FoodEx2 is top-down prioritised, meaning that descriptors physically higher in the hierarchy within the same level are preferred to descriptors further down, whereas LanguaL in general does not have a preferred order. In the implementation of EFSA FoodEx2 it has therefore been necessary to implement a forced order of the descriptors by preceeding the original FoodEx2 descriptor names by a numeric serialisation indicator (an order number)." [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=A1895 is_a: FOODON:03400356 ! European Union agency food product type property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411001 name: pea plant edible seed cultivars xref: http://www.langual.org/langual_thesaurus.asp?termid=B1001 is_a: FOODON:03411338 ! pea plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411005 name: stem or spear vegetable plant def: "A vegetable having shoot or stem which can be cooked and eaten." [] synonym: "shoot vegetable" EXACT [] synonym: "spear vegetable" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1005 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: IAO:0000112 "Examples of stem vegetables are kohlrabi, celery, fennel and rhubarb. Examples of shoot vegetables are asparagus, hop, bamboo shoots and taugé." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 https://orcid.org/0000-0001-5275-8866 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso http://foodcommodities.nl/commodities/vegetables.html [Term] id: FOODON:03411006 name: fruit plant used as vegetable xref: http://www.langual.org/langual_thesaurus.asp?termid=B1006 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411012 name: sugar-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1012 is_a: FOODON:03411048 ! carbohydrate-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411013 name: plant used for producing extract or concentrate xref: http://www.langual.org/langual_thesaurus.asp?termid=B1013 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411017 name: oil-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1017 is_a: FOODON:03411013 ! plant used for producing extract or concentrate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411018 name: vegetable-producing plant, root, tuber or bulb xref: http://www.langual.org/langual_thesaurus.asp?termid=B1018 is_a: FOODON:03411579 ! vegetable-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411021 name: fish or lower water animal def: "An aquatic animal is an animal, either vertebrate or invertebrate, which lives in the water for most or all of its lifetime." [] comment: This is equivalent to:\n\n'fish (food source)' or 'shellfish (food source)' or 'crustacean (food source)' or 'echinoderm (food source)' or 'coelenterate (food source)'\n\nHowever, this disjunction appears to be a burden on reasoners, and so this is currently not implemented. xref: http://www.langual.org/langual_thesaurus.asp?termid=B1021 is_a: FOODON:00003004 ! animal union_of: FOODON:03411222 ! fish union_of: FOODON:03411433 ! shellfish union_of: FOODON:03412409 ! coelenterate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411022 name: tropical or subtropical nut producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1022 is_a: FOODON:03411213 ! nut producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411023 name: fish, pleuronectiform def: "A flatfish is a member of the order Pleuronectiformes of ray-finned demersal fishes, also called the Heterosomata, sometimes classified as a suborder of Perciformes. In many species, both eyes lie on one side of the head, one or the other migrating through or around the head during development. Some species face their left sides upward, some face their right sides upward, and others face either side upward. [https://en.wikipedia.org/wiki/Flatfish]" [] xref: http://eol.org/pages/5168 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1023 is_a: FOODON:03411365 ! fish, bony property_value: hasSynonym "flat-fish" xsd:string property_value: hasSynonym "flat-fishes" xsd:string property_value: hasSynonym "flatfish" xsd:string property_value: hasSynonym "flatfish, flounder" xsd:string property_value: hasSynonym "flounders" xsd:string property_value: hasSynonym "pleuronectiformes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411024 name: tropical or subtropical fruit producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1024 is_a: FOODON:03411140 ! fruit-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411036 name: floret plant used as vegetable xref: http://www.langual.org/langual_thesaurus.asp?termid=B1036 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411041 name: chemical food component def: "Any chemical or chemical mixture that exists in a food material or was added to a food material." [] comment: LanguaL curation note: A chemical food component is a food substance derived from a nonliving source (e.g., salt, water or synthesized compounds).\n\nNote however that the LanguaL category includes additives which may be naturally derived, such as agar. xref: http://www.langual.org/langual_thesaurus.asp?termid=B1041 xref: langual:thesaurus.asp?termid=B2973 is_a: FOODON:00002403 ! food material property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411043 name: mackerel xref: http://eol.org/pages/24776 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1043 is_a: FOODON:03411426 ! mackerel family property_value: hasSynonym "scomber spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411047 name: grain or seed-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1047 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411048 name: carbohydrate-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1048 is_a: FOODON:03411013 ! plant used for producing extract or concentrate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411049 name: protein-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1049 is_a: FOODON:03411013 ! plant used for producing extract or concentrate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411057 name: vegetable-producing plant, above-ground parts xref: http://www.langual.org/langual_thesaurus.asp?termid=B1057 is_a: FOODON:03411579 ! vegetable-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411060 name: phaseolus vulgaris, edible pod cultivar (plant) def: "*Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris]" [] synonym: "bush bean plant" NARROW [] synonym: "Phaseolus vulgaris L." NARROW [] synonym: "Phaseolus vulgaris var. vulgaris" NARROW [] synonym: "pole bean plant" NARROW [] xref: GRIN:27632 xref: GRIN:312013 xref: http://eol.org/pages/645324 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1060 xref: ITIS:26857 xref: MANSFELD:27559 xref: NCBITaxon:3885 xref: PLANTS:PHVU is_a: FOODON:03411555 ! phaseolus vulgaris plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411061 name: phaseolus vulgaris, edible seed cultivar (plant) def: "*Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris]" [] synonym: "Phaseolus vulgaris L." NARROW [] synonym: "Phaseolus vulgaris var. vulgaris" NARROW [] xref: GRIN:27632 xref: GRIN:312013 xref: http://eol.org/pages/645324 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1061 xref: ITIS:26857 xref: MANSFELD:27559 xref: NCBITaxon:3885 xref: PLANTS:PHVU is_a: FOODON:03411555 ! phaseolus vulgaris plant property_value: hasSynonym "black bean (phaseolus)" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411062 name: temperate-zone nut producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1062 is_a: FOODON:03411213 ! nut producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411121 name: bramble berry plant def: "*Rubus* is a large and diverse genus of flowering plants in the rose family, *Rosaceae*, subfamily *Rosoideae*, with 250-700 species. Raspberries, blackberries, and dewberries are common, widely distributed members of the genus. Most of these plants have woody stems with prickles like roses; spines, bristles, and gland-tipped hairs are also common in the genus. The Rubus fruit, sometimes called a bramble fruit, is an aggregate of drupelets. The term \"cane fruit\" (or \"cane-fruit\") applies to any Rubus species or hybrid which is commonly grown with supports such as wires or canes, including raspberries, blackberries, and hybrids such as loganberry, boysenberry, marionberry and tayberry. [https://en.wikipedia.org/wiki/Rubus]" [] xref: http://eol.org/pages/30108 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1121 is_a: FOODON:03411231 ! berry plant property_value: hasSynonym "rubus spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411124 name: herring family xref: http://eol.org/pages/6893 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1124 is_a: FOODON:03411601 ! fish, clupeiform property_value: hasSynonym "clupeidae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411134 name: mammal def: "Mammals (from Latin mamma \"breast\") are vertebrate animals constituting the class Mammalia, and characterized by the presence of mammary glands which in females produce milk for feeding (nursing) their young, a neocortex (a region of the brain), fur or hair, and three middle ear bones." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1134 is_a: FOODON:03411297 ! vertebrate animal property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Mammal xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411136 name: swine def: "Suidae is a family of artiodactyl mammals which are commonly called pigs, hogs or boars." [] synonym: "hog" NARROW [] synonym: "pig" NARROW [] synonym: "porcine" EXACT [] synonym: "sus domesticus" EXACT [] synonym: "sus scrofa" EXACT [] synonym: "sus scrofa domesticus" EXACT [] synonym: "Sus scrofa Linnaeus, 1758" NARROW [] xref: http://eol.org/pages/328663 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1136 xref: ITIS:180722 xref: MSW3:14200054 xref: NCBITaxon:9823 is_a: FOODON:03411134 ! mammal relationship: in_taxon NCBITaxon:9823 ! Sus scrofa property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Suidae xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000600 "In addition to numerous fossil species, 17 extant species are currently recognized (or 18 counting domestic pigs and wild boars separately), classified into between four and eight genera. The family includes the domestic pig, Sus scrofa domesticus or Sus domesticus, in addition to numerous species of wild pig, such as babirusas and warthogs. All suids, or swine, are native to the Old World, ranging from Asia to Europe and Africa. [Wikipedia]" xsd:string [Term] id: FOODON:03411139 name: citrus family def: "Rutaceae, commonly known as the rue or citrus family, is a family of flowering plants, usually placed in the order Sapindales.\nCitrus is a common term and genus (*Citrus*) of flowering plants in the rue family, *Rutaceae*. Citrus is believed to have originated in the part of Southeast Asia bordered by Northeastern India, Myanmar (Burma) and the Yunnan province of China. Citrus fruit has been cultivated in an ever-widening area since ancient times; the best-known examples are the oranges, lemons, grapefruit, and limes." [] xref: http://eol.org/pages/4414 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1139 is_a: FOODON:03411140 ! fruit-producing plant is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "rutaceae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Rutaceae xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411140 name: fruit-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1140 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411142 name: aquatic invertebrate animal (excluding shellfish) def: "Aquatic animals other than fish and shellfish" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1142 is_a: FOODON:00002581 ! aquatic invertebrate union_of: FOODON:03412115 ! echinoderm union_of: FOODON:03412409 ! coelenterate union_of: FOODON:03414466 ! tunicate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411156 name: pod or seed vegetable plant def: "A legume is a plant or its fruit or seed in the family *Fabaceae* (or *Leguminosae*). Legumes are grown agriculturally, primarily for their grain seed called pulse, for livestock forage and silage, and as soil-enhancing green manure. Well-known legumes include alfalfa, clover, peas, beans, chickpeas, lentils, lupin bean, mesquite, carob, soybeans, peanuts and tamarind. [https://en.wikipedia.org/wiki/Legume]" [] xref: http://eol.org/pages/4277 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1156 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: hasSynonym "fabaceae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411157 name: fish, gadiform def: "Gadiformes are an order of ray-finned fish, also called the Anacanthini, that includes the cod and its allies. Many major food fish are in this order. They are found in marine waters throughout the world and the vast majority of the species are found in temperate or colder regions (tropical species are typically deep-water). A few species may enter estuaries but only one, the burbot (*Lota lota*), is a freshwater fish. [https://en.wikipedia.org/wiki/Gadiformes]" [] xref: http://eol.org/pages/5496 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1157 is_a: FOODON:03411365 ! fish, bony property_value: hasSynonym "gadiformes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411174 name: edible seed producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1174 is_a: FOODON:03411607 ! nut or edible seed producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411179 name: spice or flavor-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1179 is_a: PO:0000003 ! whole plant property_value: hasSynonym "flavor-producing plant" xsd:string property_value: hasSynonym "herb-producing plant" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411183 name: sheep xref: http://eol.org/pages/39510 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1183 is_a: FOODON:03411134 ! mammal relationship: in_taxon NCBITaxon:9940 ! Ovis aries property_value: hasSynonym "mutton (meat)" xsd:string property_value: hasSynonym "ovis spp." xsd:string property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/thumb/2/2c/Flock_of_sheep.jpg/316px-Flock_of_sheep.jpg xsd:anyURI property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411185 name: baby lima bean plant def: "In the United Kingdom and the United States, \"butter beans\" refers to either dried beans which can be purchased to rehydrate, or the canned variety which are ready to use. In culinary use there, lima beans and butter beans are distinct, the latter being large and yellow, the former small and green. In areas where both are considered to be lima beans, the green variety may be labelled as \"baby\" (and less commonly \"junior\") limas. [https://en.wikipedia.org/wiki/Lima_bean]" [] synonym: "Phaseolus lunatus L." NARROW [] xref: GRIN:27591 xref: http://eol.org/pages/645300 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1185 xref: ITIS:26850 xref: MANSFELD:27587 xref: NCBITaxon:3884 xref: PLANTS:PHLU2 is_a: FOODON:03411397 ! lima bean plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411189 name: winter squash plant def: "Winter squash is an annual fruit representing several squash species within the genus Cucurbita. It differs from summer squash in that it is harvested and eaten in the mature fruit stage when the seeds within have matured fully and the skin has hardened into a tough rind. At this stage, most varieties of this fruit can be stored for use during the winter." [] synonym: "cucurbita maxima" NARROW [] synonym: "Cucurbita moschata" NARROW [] synonym: "Cucurbita pepo" NARROW [] synonym: "curcurbita" EXACT [] synonym: "winter squash" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1189 is_a: FOODON:03411208 ! squash plant property_value: http://schema.org/image https://upload.wikimedia.org/wikipedia/commons/b/bd/Squashes.jpg {http://purl.org/dc/terms/license="http://creativecommons.org/licenses/by-sa/3.0", http://purl.org/dc/terms/rightsHolder="Californiacondor"} property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 Winter:squash property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://www.strongertogether.coop/food-lifestyle/winter-squash-guide [Term] id: FOODON:03411190 name: summer squash plant synonym: "Cucurbita pepo L." NARROW [] xref: GRIN:12606 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1190 xref: MANSFELD:4153 is_a: FOODON:03411208 ! squash plant property_value: hasSynonym "cucurbita pepo" xsd:string property_value: hasSynonym "yellow crookneck squash" xsd:string property_value: hasSynonym "yellow squash" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411194 name: head vegetable plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1194 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411201 name: dairy cow def: "A dairy cow is an adult female member of a dairy cattle breed" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1201 is_a: FOODON:00002505 ! dairy cattle is_a: UBERON:0003100 ! female organism is_a: UBERON:0007023 ! adult organism intersection_of: FOODON:00002505 ! dairy cattle intersection_of: UBERON:0003100 ! female organism intersection_of: UBERON:0007023 ! adult organism property_value: hasSynonym "cow" xsd:string property_value: hasSynonym "domesticated cattle" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411206 name: plum plant def: "A plum is a fruit of the subgenus *Prunus* of the genus *Prunus*. The subgenus is distinguished from other subgenera (peaches, cherries, bird cherries, etc.) in the shoots having terminal bud and solitary side buds (not clustered), the flowers in groups of one to five together on short stems, and the fruit having a groove running down one side and a smooth stone (or pit)." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1206 is_a: FOODON:03411539 ! stone fruit plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Plum xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411208 name: squash plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1208 is_a: FOODON:03412091 ! squash, gourd or pumpkin plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411213 name: nut producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1213 is_a: FOODON:03411607 ! nut or edible seed producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411220 name: insect synonym: "Insecta" NARROW [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1220 is_a: FOODON:03414899 ! terrestrial invertebrate property_value: hasSynonym "insecta" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411222 name: fish def: "Fish are the gill-bearing aquatic craniate animals that lack limbs with digits. Most fish are ectothermic (\"cold-blooded\"), allowing their body temperatures to vary as ambient temperatures change, though some of the large active swimmers like white shark and tuna can hold a higher core temperature." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1222 is_a: FOODON:03411021 ! fish or lower water animal is_a: FOODON:03411297 ! vertebrate animal property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Fish property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411231 name: berry plant def: "A berry is a small, pulpy, and often edible fruit. Berries are typically juicy, rounded, brightly colored, sweet or sour, and do not have a stone or pit, although many pips or seeds may be present. Common examples are strawberries, raspberries, blueberries, red currants, and blackcurrants. \n The scientific usage of the term \"berry\" differs from common usage. In scientific terminology, a berry is a fruit produced from the ovary of a single flower in which the outer layer of the ovary wall develops into an edible fleshy portion (pericarp). The definition includes many fruits that are not commonly known as berries, such as grapes, tomatoes, cucumbers, eggplants (aubergines) and bananas. Fruits excluded by the botanical definition include strawberries, raspberries, and blackberries, which are aggregate fruits, and mulberries, which are multiple fruits. [https://en.wikipedia.org/wiki/Berry]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1231 is_a: FOODON:03411140 ! fruit-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411232 name: Zia mays plant comment: LanguaL curation note: Use 'field corn' for any breakfast cereals or snack foods having 'corn' as the main ingredient. synonym: "Zea mays L." NARROW [] xref: GRIN:311987 xref: http://eol.org/pages/1115259 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1232 xref: ITIS:42269 xref: MANSFELD:36372 xref: NCBITaxon:4577 xref: PLANTS:ZEMA is_a: FOODON:03411156 ! pod or seed vegetable plant is_a: FOODON:03411324 ! grain plant relationship: in_taxon NCBITaxon:4577 ! Zea mays property_value: hasSynonym "maize" xsd:string property_value: hasSynonym "zea mays" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411236 name: turkey (bird) def: "The turkey is a large bird in the genus Meleagris, which is native to the Americas. Males of both turkey species have a distinctive fleshy wattle or protuberance that hangs from the top of the beak (called a snood). They are among the largest birds in their ranges. As in many galliformes, the male is larger and much more colorful than the female." [] synonym: "turkey" EXACT [] xref: http://eol.org/pages/18523 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1236 is_a: FOODON:00002616 ! avian animal relationship: in_taxon NCBITaxon:9102 ! Meleagris property_value: hasSynonym "meleagris spp." xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 Turkey:(bird) property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411237 name: shrimp xref: http://eol.org/pages/2602479 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1237 is_a: FOODON:03411998 ! decapod property_value: hasSynonym "caridea" xsd:string property_value: hasSynonym "crangonidae" xsd:string property_value: hasSynonym "palaemondidae" xsd:string property_value: hasSynonym "penaeidae" xsd:string property_value: hasSynonym "prawn" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411250 name: green or red pepper plant def: "The taxonomies given vary widely." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1250 is_a: FOODON:03411006 ! fruit plant used as vegetable is_a: FOODON:03411179 ! spice or flavor-producing plant is_a: FOODON:03414934 ! solanaceae plant property_value: hasSynonym "capsicum" xsd:string property_value: hasSynonym "capsicum annuum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411261 name: fungus def: "A member of the group of eukaryotic organisms in the kingdom Fungi that includes unicellular microorganisms such as yeasts and molds, as well as multicellular fungi that produce familiar fruiting forms known as mushrooms." [] synonym: "fungi" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1261 is_a: FOODON:03411564 ! food product organismal source property_value: http://schema.org/image 551px-Fungi:collage.jpg {http://purl.org/dc/terms/license="https://creativecommons.org/licenses/by-sa/2.5/deed.en", http://purl.org/dc/terms/rightsHolder="BorgQueen"} property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Fungus property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411268 name: lentil plant synonym: "Lens culinaris Medik." NARROW [] xref: GRIN:21739 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1268 xref: MANSFELD:30720 is_a: FOODON:03411156 ! pod or seed vegetable plant property_value: hasSynonym "lens culinaris" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411269 name: tuna synonym: "thunnini" EXACT [] synonym: "true tuna" EXACT [] xref: http://eol.org/pages/2804369 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1269 is_a: FOODON:03411426 ! mackerel family property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "Thunnus is a genus of ocean-dwelling, ray-finned bony fish from the mackerel family, Scombridae. More specifically, Thunnus is one of five genera which make up the tribe Thunnini – a tribe that is collectively known as the tunas" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411272 name: almond tree comment: LanguaL curation note: When indexing the almond fruit (drupe), index both *ALMOND [B2721]* and *FRUIT [C0167]* (or its more precise narrower terms). synonym: "Prunus dulcis (Mill.) D. A. Webb" NARROW [] synonym: "Prunus dulcis (Mill.) D.A.Webb" NARROW [] synonym: "Prunus dulcis (P. Mill.) D.A. Webber" NARROW [] xref: GRIN:29890 xref: http://eol.org/pages/231567 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1272 xref: ITIS:24775 xref: MANSFELD:9421 xref: NCBITaxon:3755 is_a: FOODON:03411062 ! temperate-zone nut producing plant relationship: in_taxon NCBITaxon:3755 ! Prunus dulcis property_value: hasSynonym "prunus amygdalus" xsd:string property_value: hasSynonym "prunus communis" xsd:string property_value: hasSynonym "prunus dulcis" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411276 name: tomato plant def: "The word \"tomato\" may refer to the plant (*Solanum lycopersicum*) or the edible, typically red, fruit that it bears. Originating in South America, the tomato was spread around the world following the Spanish colonization of the Americas, and its many varieties are now widely grown, often in greenhouses in cooler climates.See also the list of tomato cultivars" [] synonym: "Lycopersicon esculentum Mill." NARROW [] synonym: "Lycopersicon esculentum var. esculentum P. Mill." NARROW [] synonym: "Solanum lycopersicum L." NARROW [] xref: GRIN:101442 xref: http://eol.org/pages/392557 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1276 xref: ITIS:521671 xref: ITIS:529044 xref: MANSFELD:6054 xref: NCBITaxon:4081 xref: PLANTS:SOLY2 is_a: FOODON:03411006 ! fruit plant used as vegetable is_a: FOODON:03415104 ! solanum plant relationship: in_taxon NCBITaxon:4081 ! Solanum lycopersicum property_value: hasSynonym "gold apple" xsd:string property_value: hasSynonym "love apple" xsd:string property_value: hasSynonym "lycopersicon esculentum" xsd:string property_value: hasSynonym "lycopersicon lycopersicum" xsd:string property_value: hasSynonym "solanum lycopersicum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:List_of_tomato_cultivars xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411281 name: kale plant def: "Kale (also called Borecole) is a form of cabbage (*Brassica oleracea* Acephala Group) in which the central leaves do not form a head. It is considered to be closer to wild cabbage than most domesticated forms. The species *Brassica oleracea* contains a wide array of vegetables, including broccoli, cauliflower, and Brussels sprouts. The Cultivar Group Acephala also includes spring greens and collard greens, which are extremely similar genetically. Kale can be classified by leaf type: Curly leaved (Scots kales), Plain leaved, Rape kale, Leaf and spear (a cross between curly leaved and plain leaved kale), Cavolo nero (also known as black cabbage, Tuscan kale, Lacinato and dinosaur kale)" [] synonym: "Brassica oleracea L." NARROW [] synonym: "Brassica oleracea L. var. sabellica L." NARROW [] synonym: "Brassica oleracea var. sabellica L." NARROW [] xref: GRIN:319629 xref: http://eol.org/pages/583899 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1281 xref: ITIS:23062 xref: MANSFELD:23870 xref: NCBITaxon:3712 is_a: FOODON:03411566 ! leafy vegetable plant is_a: FOODON:03413372 ! brassica species property_value: hasSynonym "brassica oleracea" xsd:string property_value: hasSynonym "cole" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Kale) xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411283 name: melon plant def: "Melon is a name given to various members of the plant family *Cucurbitaceae* with sweet flavored, fleshy fruit e.g. gourds or cucurbits. Melon can be referred as a plant or a fruit. Many different cultivars have been produced, particularly of muskmelons." [] xref: http://eol.org/pages/38795 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1283 is_a: FOODON:03411140 ! fruit-producing plant is_a: FOODON:03414459 ! cucumis species property_value: hasSynonym "cucumis spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Melon xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411286 name: palm plant def: "The *Arecaceae* are a botanical family of perennial climbers, shrubs, acaules and trees commonly known as palm trees (owing to historical usage, the family is alternatively called Palmae). They are flowering plants, a family in the monocot order Arecales. Currently 181 genera with around 2600 species are known, most of them restricted to tropical and subtropical climates. Arecaceae have great economic importance, including coconut products, oils, dates, palm syrup, ivory nuts, carnauba wax, rattan cane, raffia, and palm wood. [https://en.wikipedia.org/wiki/Arecaceae]" [] xref: http://eol.org/pages/8193 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1286 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411048 ! carbohydrate-producing plant is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: hasSynonym "arecaceae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411297 name: vertebrate animal def: "A vertebrate animal is any species of organism within the subphylum Vertebrata (chordates with backbones). Vertebrates represent the overwhelming majority of the phylum Chordata, with currently about 69,276 species described." [] comment: LanguaL curation note: For a unicellular animal, use *ALGAE OR FUNGUS USED AS FOOD SOURCE*. synonym: "animal" BROAD [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1297 is_a: FOODON:00003004 ! animal property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Vertebrate property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411299 name: olive plant synonym: "Olea europaea L." NARROW [] xref: GRIN:25555 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1299 xref: MANSFELD:11672 is_a: FOODON:03411006 ! fruit plant used as vegetable is_a: FOODON:03411017 ! oil-producing plant property_value: hasSynonym "manzanilla olive" xsd:string property_value: hasSynonym "olea europaea" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411300 name: onion plant def: "The onion (*Allium cepa *L), also known as the bulb onion or common onion, is a vegetable that is the most widely cultivated species of the genus *Allium*. Its close relatives include the garlic, shallot, leek, chive,[2] and Chinese onion. \n This genus also contains several other species variously referred to as onions and cultivated for food, such as the Japanese bunching onion (*Allium fistulosum*), the tree onion (*A. ×proliferum*), and the Canada onion (*Allium canadense*). The name \"wild onion\" is applied to a number of *Allium* species, but *A. cepa* is exclusively known from cultivation. [https://en.wikipedia.org/wiki/Onion]" [] synonym: "Allium" NARROW [] synonym: "Allium L." NARROW [] synonym: "Allium sp." NARROW [] xref: GRIN:300022 xref: http://eol.org/pages/8187 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1300 xref: PLANTS:ALLIU is_a: FOODON:00002069 ! onion food product is_a: FOODON:03411018 ! vegetable-producing plant, root, tuber or bulb is_a: FOODON:03414302 ! allium species property_value: hasSynonym "allium spp." xsd:string property_value: hasSynonym "bulb onion" xsd:string property_value: hasSynonym "cebolla" xsd:string property_value: hasSynonym "garden onion" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411309 name: beet plant def: "The beet (*Beta vulgaris*) is a plant in the Chenopodiaceae family which is now included in *Amaranthaceae* family. It is best known in its numerous cultivated varieties, the most well known of which is the root vegetable known as the beetroot or garden beet. However, other cultivated varieties include the leaf vegetables chard and spinach beet, as well as the root vegetables sugar beet, which is important in the production of table sugar, and mangelwurzel, which is a fodder crop. Three subspecies are typically recognised. All cultivated varieties fall into the subspecies *Beta vulgaris* subsp. *vulgaris*, while *Beta vulgaris* subsp. *maritima*, commonly known as the sea beet, is the wild ancestor of these, and is found throughout the Mediterranean, the Atlantic coast of Europe, the Near East, and India. A second wild subspecies, *Beta vulgaris* subsp. *adanensis*, occurs from Greece to Syria." [] synonym: "Beta vulgaris L." NARROW [] synonym: "common beet" EXACT [] xref: GRIN:300073 xref: http://eol.org/pages/585884 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1309 xref: ITIS:20681 xref: NCBITaxon:161934 xref: PLANTS:BEVU2 is_a: FOODON:03411018 ! vegetable-producing plant, root, tuber or bulb is_a: FOODON:03411566 ! leafy vegetable plant relationship: in_taxon NCBITaxon:161934 ! Beta vulgaris property_value: hasSynonym "beetroot" xsd:string property_value: hasSynonym "beta vulgaris" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Beta_vulgaris xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411312 name: wheat plant def: "Wheat (*Triticum* spp.) is a domesticated grass from the Levant that is cultivated worldwide. Major cultivated species of wheat:\n\n * Common wheat or Bread wheat (*Triticum aestivum*) A hexaploid species that is the most widely cultivated in the world.\n\n * Durum (*Triticum durum*) The only tetraploid form of wheat widely used today, and the second most widely cultivated wheat.\n\n * Einkorn (*Triticum monococcum*) A diploid species with wild and cultivated variants. Domesticated at the same time as emmer wheat, but never reached the same importance.\n\n * Emmer (*Triticum dicoccon*) A tetraploid species, cultivated in ancient times but no longer in widespread use.\n\n * Spelt (*Triticum spelta*) Another hexaploid species cultivated in limited quantities." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1312 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411324 ! grain plant property_value: hasSynonym "triticum spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Wheat xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411318 name: cacao plant synonym: "Theobroma cacao L." NARROW [] xref: GRIN:400137 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1318 xref: MANSFELD:5328 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411179 ! spice or flavor-producing plant property_value: hasSynonym "theobroma cacao" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411322 name: rice plant def: "*Oryza sativa*, commonly known as Asian rice, is the plant species most commonly referred to in English as rice. *Oryza sativa* contains two major subspecies: the sticky, short-grained *japonica* or *sinica* variety, and the nonsticky, long-grained *indica* variety." [] comment: Rice occurs in a variety of colors, including white, brown, black, purple, and red rices. Black rice (also known as purple rice) is a range of rice types, some of which are glutinous rice. Varieties include Indonesian black rice and Thai jasmine black rice. synonym: "lowland rice" NARROW [] synonym: "upland rice" NARROW [] xref: GRIN:26077 xref: http://eol.org/pages/1115098 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1322 xref: ITIS:41976 xref: MANSFELD:20986 xref: PLANTS:ORSA is_a: FOODON:03411324 ! grain plant relationship: in_taxon NCBITaxon:4530 ! Oryza sativa property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411324 name: grain plant def: "Any grass cultivated (grown) for the edible components of its grain." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1324 is_a: FOODON:03411047 ! grain or seed-producing plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cereal property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://en.wikipedia.org/wiki/List_of_edible_seeds [Term] id: FOODON:03411329 name: grape plant def: "*Vitis* (grapevines) is a genus of 79 accepted species of vining plants in the flowering plant family *Vitaceae*. The genus is made up of species predominantly from the Northern hemisphere. It is economically important as the source of grapes, both for direct consumption of the fruit and for fermentation to produce wine. [https://en.wikipedia.org/wiki/Vitis]" [] synonym: "Vitis" NARROW [] xref: http://eol.org/pages/38383 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1329 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411231 ! berry plant property_value: hasSynonym "vitis spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411338 name: pea plant synonym: "Pisum sativum L." NARROW [] xref: GRIN:300472 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1338 xref: MANSFELD:30744 is_a: FOODON:03411156 ! pod or seed vegetable plant property_value: hasSynonym "green pea plant" xsd:string property_value: hasSynonym "lathyrus l." xsd:string property_value: hasSynonym "pisum l." xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://hort.purdue.edu/newcrop/CropFactSheets/pea.html [Term] id: FOODON:03411344 name: pear plant def: "The pear tree and shrub are a species of genus Pyrus, in the family Rosaceae, bearing the pomaceous fruit of the same name. Several species of pear are valued for their edible fruit and juices while others are cultivated as trees." [] synonym: "pyrus communis" NARROW [] synonym: "Pyrus communis L." NARROW [] xref: GRIN:30474 xref: http://eol.org/pages/414311 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1344 xref: ITIS:25295 xref: MANSFELD:8689 xref: NCBITaxon:23211 xref: PLANTS:PYCO is_a: FOODON:03411599 ! pome fruit plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Pear xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411345 name: yeast def: "Yeasts are eukaryotic micro-organisms classified in the kingdom *Fungi*, with 1,500 species currently described estimated to be only 1% of all fungal species." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1345 is_a: FOODON:03412034 ! ascomycetes property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Yeast xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411365 name: fish, bony xref: http://www.langual.org/langual_thesaurus.asp?termid=B1365 is_a: FOODON:03411222 ! fish property_value: hasSynonym "osteichthyes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411371 name: green bean plant synonym: "snap bean plant" EXACT [] synonym: "string bean plant" EXACT [] synonym: "stringless bean plant" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1371 is_a: FOODON:03411060 ! phaseolus vulgaris, edible pod cultivar (plant) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411374 name: crustacean def: "Crustaceans form a large, diverse arthropod taxon which includes such familiar animals as crabs, lobsters, crayfish, shrimp, krill, woodlice, and barnacles. [https://en.wikipedia.org/wiki/Crustacean]" [] xref: http://eol.org/pages/2598871 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1374 is_a: FOODON:03411433 ! shellfish property_value: hasSynonym "crustacea" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411385 name: collard plant def: "Collard greens are various loose-leafed cultivars of *Brassica oleracea* (Acephala Group), the same species as cabbage and broccoli. The plant is grown for its large, dark-colored, edible leaves and as a garden ornamental, mainly in Brazil, Portugal, the southern United States, many parts of Africa, Montenegro, Bosnia and Herzegovina, southern Croatia, Spain and in Pakistan, as well as in Kashmir region of both India and Pakistan. They are classified in the same cultivar group as kale and spring greens, to which they are closely similar genetically. The name \"collard\" is a shortened form of the word \"colewort\" (cabbage plant)." [] synonym: "Brassica oleracea L. var. viridis L." NARROW [] xref: CCPR: xref: GRIN:7679 xref: http://eol.org/pages/4219 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1385 is_a: FOODON:03411281 ! kale plant property_value: hasSynonym "borekale" xsd:string property_value: hasSynonym "brassica oleracea var. viridis" xsd:string property_value: hasSynonym "cow cabbage" xsd:string property_value: hasSynonym "fodder kale" xsd:string property_value: hasSynonym "portuguese kale" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Borekale xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411393 name: strawberry plant xref: http://eol.org/pages/29917 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1393 is_a: FOODON:03411231 ! berry plant property_value: hasSynonym "fragaria spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411397 name: lima bean plant def: "*Phaseolus lunatus*, commonly known as the lima bean, butter bean, sieva bean, or Madagascar bean[citation needed], is a legume grown for its edible seeds or beans." [] synonym: "butter bean plant" EXACT [] synonym: "madagascar bean plant" EXACT [] synonym: "phaseolus lunatus" EXACT [] synonym: "Phaseolus lunatus L." NARROW [] synonym: "Phaseolus lunatus L. var. lunatus" NARROW [] xref: GRIN:27591 xref: GRIN:300449 xref: http://eol.org/pages/645300 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1397 xref: ITIS:26850 xref: MANSFELD:27587 xref: NCBITaxon:3884 xref: PLANTS:PHLU2 is_a: FOODON:03411567 ! bean plant relationship: in_taxon NCBITaxon:3884 ! Phaseolus lunatus property_value: hasSynonym "phaseolus limensis" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Lima_bean xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411406 name: cabbage plant def: "Cabbage or headed cabbage (comprising several cultivars of Brassica oleracea) is a leafy blue, red (purple), or white (pale blue) biennial plant grown as an annual vegetable crop for its dense-leaved heads." [] synonym: "Brassica oleracea L." NARROW [] synonym: "Brassica oleracea var. oleracea L." NARROW [] xref: GRIN:7668 xref: http://eol.org/pages/583899 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1406 xref: ITIS:23062 xref: ITIS:526963 xref: NCBITaxon:3712 xref: PLANTS:BROL is_a: FOODON:03411194 ! head vegetable plant is_a: FOODON:03413372 ! brassica species property_value: hasSynonym "brassica oleracea varieties" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cabbage xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411418 name: hard wheat plant def: "Hard wheat (red or white) are varieties of common wheat with high protein (gluten) content used for bread." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1418 is_a: FOODON:03413507 ! common wheat plant property_value: hasSynonym "bread wheat" xsd:string property_value: hasSynonym "triticum aestivum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411423 name: cod xref: http://eol.org/pages/13122 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1423 is_a: FOODON:03411835 ! cod family property_value: hasSynonym "gadus spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411426 name: mackerel family def: "The *Scombridae* family of the mackerels, tunas, and bonitos includes many of the most important and familiar food fishes. The family consists of 51 species in 15 genera and two subfamilies. All species are in the subfamily *Scombrinae*, except the butterfly kingfish, which is the sole member of subfamily *Gasterochismatinae*. [https://en.wikipedia.org/wiki/Scombridae]" [] xref: http://eol.org/pages/5210 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1426 is_a: FOODON:03411581 ! fish, perciform property_value: hasSynonym "scombridae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411433 name: shellfish def: "The term shellfish is used both broadly and specifically. For regulatory purposes it is often narrowly defined as filter-feeding molluscs such as clams, mussels, and oyster to the exclusion of crustaceans and all else. Although their shells may differ, all shellfish are invertebrates." [] comment: Covers both freshwater and saltwater organisms xref: http://www.langual.org/langual_thesaurus.asp?termid=B1433 is_a: FOODON:00001293 ! shellfish food product is_a: FOODON:00002581 ! aquatic invertebrate is_a: FOODON:03411021 ! fish or lower water animal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Shellfish property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411443 name: broccoli plant def: "Broccoli is a plant in the cabbage family, whose large flower head is used as a vegetable. The word broccoli, from the Italian plural of broccolo, refers to \"the flowering top of a cabbage\". Broccoli is usually boiled or steamed, but may be eaten raw and has become popular as a raw vegetable in hors d'oeuvre trays.\nBroccoli is classified in the *Italica* cultivar group of the species *Brassica oleracea*. Broccoli has large flower heads, usually green in color, arranged in a tree-like fashion on branches sprouting from a thick, edible stalk. The mass of flower heads is surrounded by leaves. Broccoli most closely resembles cauliflower, which is a different cultivar group of the same species." [] synonym: "Brassica oleracea L. var. botrytis L." NARROW [] synonym: "Brassica oleracea L. var. italica Plenck" NARROW [] synonym: "Brassica oleracea var. botrytis L." NARROW [] xref: GRIN:105447 xref: http://eol.org/pages/4219 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1443 xref: ITIS:530957 xref: MANSFELD:37506 xref: PLANTS:BROLB is_a: FOODON:03411005 ! stem or spear vegetable plant is_a: FOODON:03411036 ! floret plant used as vegetable is_a: FOODON:03413372 ! brassica species property_value: hasSynonym "brassica oleracea l. convar. botrytis var. italica" xsd:string property_value: hasSynonym "brassica oleracea var. botrytis" xsd:string property_value: hasSynonym "brassica oleracea var. italica" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Broccoli xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411457 name: chicken synonym: "Gallus gallus (Linnaeus, 1758)" NARROW [] xref: http://eol.org/pages/1049263 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1457 xref: ITIS:176086 is_a: FOODON:00001040 ! chicken meat food product is_a: NCBITaxon:9031 ! Gallus gallus property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://www.usda.gov/media/blog/2011/11/17/poultry-classifications-get-21st-century-upgrade [Term] id: FOODON:03411462 name: zucchini plant def: "The zucchini or courgette is a summer squash which can reach nearly a meter in length, but which is usually harvested at half that size or less. Along with certain other squashes, it belongs to the species Cucurbita pepo. Zucchini can be dark or light green. A related hybrid, the golden zucchini, is a deep yellow or orange color." [] synonym: "courgette" EXACT [] synonym: "cucurbita pepo var. melopepo cv. zucchini" EXACT [] xref: langual:thesaurus.asp?termid=B1462 is_a: NCBITaxon:3663 ! Cucurbita pepo property_value: IAO:0000119 https://en.wikipedia.org/wiki/Zucchini [Term] id: FOODON:03411471 name: european cantaloupe plant def: "The European cantaloupe is lightly ribbed, with a gray-green skin that looks quite different from that of the North American cantaloupe." [] synonym: "C. melo var. cantalupensis" EXACT [] synonym: "Cucumis melo cantalupensis" EXACT [] synonym: "Cucumis melo L. subsp. melo var. cantalupensis Naudin" EXACT [] synonym: "http://purl.obolibrary.org/obo/Cucumis%20melo%20L.%20var.%20cantalupensis%20Naudin" EXACT [] xref: langual:thesaurus.asp?termid=B1471 is_a: NCBITaxon:3658 ! Cucumis melo var. cantalupo property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cantaloupe [Term] id: FOODON:03411489 name: scallop def: "Scallop is a common name that is primarily applied to any one of numerous species of saltwater clams or marine bivalve mollusks in the taxonomic family Pectinidae, the scallops. However, the common name \"scallop\" is also sometimes applied to species in other closely related families within the superfamily Pectinoidea, which also includes the thorny oysters." [] synonym: "Argopecten irradians" NARROW [] synonym: "pecten aequiscleatus" NARROW [] synonym: "Pecten laquaetus" NARROW [] synonym: "pectinidae" EXACT [] xref: http://eol.org/pages/2249 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1489 is_a: FOODON:00002227 ! scallop food product is_a: FOODON:03412113 ! bivalve property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Scallop xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411491 name: blueberry plant def: "Blueberries are flowering plants of the genus *Vaccinium* (a genus which also includes cranberries and bilberries) with dark-blue berries and are perennial. Species in the section Cyanococcus are the most common fruits sold as \"blueberries\" and are native to North America (they were not introduced into Europe until the 1930s)." [] synonym: "Vaccinium L." NARROW [] xref: http://eol.org/pages/4267 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1491 is_a: FOODON:03411614 ! vaccinium berry plant property_value: hasSynonym "vaccinium spp. cyanococcus group" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Blueberry xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411494 name: raspberry plant def: "The raspberry is the edible fruit of a number of species of the genus *Rubus*. The name originally refers in particular to the European species Rubus idaeus, and is still used for that species as its standard English name in its native area. Other species, mostly closely related in the same subgenus Idaeobatus, also called raspberries subsequently include:\n\n * Rubus strigosus (American Raspberry) (syn. R. idaeus var. strigosus)\n\n * Rubus arcticus (Arctic Raspberry)\n\n * Rubus crataegifolius (Korean Raspberry)\n\n * Rubus occidentalis (Black Raspberry)\n\n * Rubus odoratus (Flowering Raspberry)\n\n * Rubus phoenicolasius (Wine Raspberry)\n\n * Rubus leucodermis (Whitebark or Western Raspberry, native: Blue Raspberry)" [] synonym: "Rubus L." NARROW [] xref: http://eol.org/pages/8097 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1494 xref: PLANTS:RUBUS is_a: FOODON:03411121 ! bramble berry plant property_value: hasSynonym "rubus" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Raspberry xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411505 name: lobster xref: http://www.langual.org/langual_thesaurus.asp?termid=B1505 is_a: FOODON:03411998 ! decapod property_value: hasSynonym "homarus spp." xsd:string property_value: hasSynonym "panulirus spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411532 name: halibut synonym: "Hippoglossus" BROAD [] synonym: "hippoglossus spp." EXACT [] synonym: "reinhardtius spp." EXACT [] xref: http://eol.org/pages/23978 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1532 is_a: FOODON:03411856 ! righteye flounder family property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411539 name: stone fruit plant def: "In botany, a drupe is a fruit in which an outer fleshy part (exocarp, or skin; and mesocarp, or flesh) surrounds a shell (the pit, stone or pyrene) of hardened endocarp with a seed inside." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1539 is_a: FOODON:03411140 ! fruit-producing plant property_value: hasSynonym "drupe" xsd:string property_value: hasSynonym "pit fruit" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Drupe xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411555 name: phaseolus vulgaris plant def: "*Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria.[https://en.wikipedia.org/wiki/Phaseolus_vulgaris]" [] synonym: "Phaseolus vulgaris L." NARROW [] synonym: "Phaseolus vulgaris L. ssp. vulgaris" NARROW [] synonym: "Phaseolus vulgaris var. vulgaris" NARROW [] xref: GRIN:27632 xref: GRIN:312013 xref: http://eol.org/pages/645324 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1555 xref: ITIS:26857 xref: MANSFELD:27559 xref: NCBITaxon:3885 xref: PLANTS:PHVU is_a: FOODON:03411567 ! bean plant relationship: in_taxon NCBITaxon:3885 ! Phaseolus vulgaris property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411558 name: sardine xref: http://www.langual.org/langual_thesaurus.asp?termid=B1558 is_a: FOODON:03411124 ! herring family property_value: hasSynonym "pilchard" xsd:string property_value: hasSynonym "sardina" xsd:string property_value: hasSynonym "sardinops" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411563 name: poultry or game bird synonym: "fjerkrae" NARROW [] synonym: "gamebird" NARROW [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1563 is_a: FOODON:00002616 ! avian animal union_of: FOODON:00004298 ! poultry union_of: FOODON:03602002 ! game bird property_value: hasSynonym "fowl" xsd:string property_value: hasSynonym "game birds" xsd:string property_value: http://purl.org/dc/elements/1.1/contributor https://orcid.org/0000-0002-9578-0788 xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "This \"or\" class is just to represent an equivalency with a commonly used classification outside of FoodOn. It should not have subclasses under it. (2022-11-30)" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411564 name: food product organismal source def: "This is a hierarchy of organisms, grouped minimally in a combination of taxonomy and consumer-oriented food groups." [] comment: This was LanguaL definition: Individual plant or animal from which the food product or its major ingredient is derived; also a chemical food source [FDA CFSAN 1995]. xref: http://www.langual.org/langual_thesaurus.asp?termid=B1564 xref: langual:thesaurus.asp?termid=B0001 is_a: OBI:0100026 ! organism property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411566 name: leafy vegetable plant def: "Leaf vegetables, also called leafy greens, salad greens, pot herbs, vegetable greens, or simply greens, are plant leaves eaten as a vegetable, sometimes accompanied by tender petioles and shoots." [] synonym: "leafy green" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1566 is_a: FOODON:03411057 ! vegetable-producing plant, above-ground parts property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Leaf_vegetable xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411567 name: bean plant def: "A bean plant is one of several genera of the flowering plant family Fabaceae, which has seed pods, seeds, and/or leaf material used for human or animal food." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1567 is_a: FOODON:03411156 ! pod or seed vegetable plant property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Bean xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411579 name: vegetable-producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1579 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411581 name: fish, perciform def: "Perciformes, also called the Percomorpha or Acanthopteri, are the most numerous order of vertebrates, containing about 41% of all bony fish. Perciformes means \"perch-like\". They belong to the class of ray-finned fish, and comprise over 10,000 species found in almost all aquatic ecosystems. The order contains about 160 families, which is the most of any order within the vertebrates. [https://en.wikipedia.org/wiki/Perciformes]" [] xref: http://eol.org/pages/5184 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1581 is_a: FOODON:03411365 ! fish, bony property_value: hasSynonym "perciformes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411599 name: pome fruit plant def: "A type of fruit produced by flowering plants in the subfamily *Maloideae* of the family *Rosaceae*." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1599 is_a: FOODON:03411140 ! fruit-producing plant property_value: hasSynonym "maloideae" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Pome property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411601 name: fish, clupeiform def: "Clupeiformes is the order of ray-finned fish that includes the herring family, *Clupeidae*, and the anchovy family, *Engraulidae*. The group includes many of the most important forage and food fish. [https://en.wikipedia.org/wiki/Clupeiformes]" [] xref: http://eol.org/pages/3190 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1601 is_a: FOODON:03411365 ! fish, bony property_value: hasSynonym "clupeiformes" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411607 name: nut or edible seed producing plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1607 is_a: FOODON:03411047 ! grain or seed-producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411611 name: brussels sprout plant synonym: "Brassica oleracea L. var. gemmifera DC." NARROW [] synonym: "Brassica oleracea L. var. gemmifera Zenker" NARROW [] synonym: "Brassica oleracea var. gemmifera (DC.) Zenker" NARROW [] synonym: "Brassica oleracea var. gemmifera DC." NARROW [] xref: GRIN:7675 xref: http://eol.org/pages/4219 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1611 xref: ITIS:530959 xref: MANSFELD:23884 xref: PLANTS:BROLG is_a: FOODON:03411194 ! head vegetable plant is_a: FOODON:03413372 ! brassica species property_value: hasSynonym "brassica oleracea var. gemmifera" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411614 name: vaccinium berry plant xref: http://eol.org/pages/38372 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1614 is_a: FOODON:03411231 ! berry plant relationship: in_taxon NCBITaxon:13749 ! Vaccinium property_value: hasSynonym "vaccinium spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411643 name: hot pepper plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B1643 is_a: FOODON:03412633 ! pungent pepper variety plant property_value: hasSynonym "capsicum annuum, longum group" xsd:string property_value: hasSynonym "capsicum chile pepper" xsd:string property_value: hasSynonym "cayenne pepper" xsd:string property_value: hasSynonym "chile pepper" xsd:string property_value: hasSynonym "chili pepper" xsd:string property_value: hasSynonym "long pepper" xsd:string property_value: hasSynonym "red pepper (chile pepper)" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411669 name: lamb def: "In general, a sheep in its first year is called a lamb and its meat is also called lamb." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1669 is_a: FOODON:03411183 ! sheep property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Lamb_and_mutton xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411673 name: ginseng plant def: "Ginseng is any one of 11 species of slow-growing perennial plants with fleshy roots, belonging to the genus *Panax* of the family *Araliaceae*." [] xref: http://eol.org/pages/5432 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1673 is_a: FOODON:03411179 ! spice or flavor-producing plant is_a: FOODON:03414168 ! plant used for dietary supplements property_value: hasSynonym "panax" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Ginseng xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411713 name: chicken hen def: "A mature female chicken (usually more than 10 months of age) with meat less tender than that of a roaster, and with a nonflexible breastbone tip." [] synonym: "hen" BROAD [] synonym: "stewing chicken" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1713 is_a: FOODON:00003282 ! hen is_a: FOODON:03411457 ! chicken intersection_of: FOODON:00003282 ! hen intersection_of: FOODON:03411457 ! chicken property_value: hasSynonym "stewing hen" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411835 name: cod family xref: http://eol.org/pages/5503 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1835 is_a: FOODON:03411157 ! fish, gadiform property_value: hasSynonym "gadidae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411856 name: righteye flounder family xref: http://eol.org/pages/5173 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1856 is_a: FOODON:03411023 ! fish, pleuronectiform property_value: hasSynonym "pleuronectidae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411998 name: decapod def: "The Decapoda or decapods (literally \"ten-footed\") are an order of crustaceans within the class Malacostraca, including many familiar groups, such as crayfish, crabs, lobsters, prawns, and shrimp. Most decapods are scavengers. [https://en.wikipedia.org/wiki/Decapoda]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B1998 is_a: FOODON:03411374 ! crustacean property_value: hasSynonym "decapoda" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03411999 name: common bean plant def: "*Phaseolus vulgaris*, also known as the common bean among other names,[ is a herbaceous annual plant grown worldwide for its edible dry seeds or unripe fruit. The main categories of common beans, on the basis of use, are dry beans (seeds harvested at complete maturity), snap beans (tender pods with reduced fibre harvested before the seed development phase) and shell beans (seeds harvested at physiological maturity). Its leaf is also occasionally used as a vegetable and the straw as fodder. Its botanical classification, along with other *Phaseolus* species, is as a member of the legume family *Fabaceae*, most of whose members acquire the nitrogen they require through an association with rhizobia, a species of nitrogen-fixing bacteria." [] synonym: "Phaseolus vulgaris L." NARROW [] synonym: "Phaseolus vulgaris var. vulgaris" NARROW [] xref: GRIN:27632 xref: GRIN:312013 xref: http://eol.org/pages/645324 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1999 xref: ITIS:26857 xref: MANSFELD:27559 xref: NCBITaxon:3885 xref: PLANTS:PHVU is_a: FOODON:03411061 ! phaseolus vulgaris, edible seed cultivar (plant) property_value: hasSynonym "phaseolus vulgaris" xsd:string property_value: hasSynonym "pink bean" xsd:string property_value: hasSynonym "small white bean" xsd:string property_value: hasSynonym "yellow bean" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Phaseolus_vulgaris xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412034 name: ascomycetes def: "*Ascomycota* is a Division/Phylum of the kingdom *Fungi* that, together with the *Basidiomycota*, form the subkingdom *Dikarya*. Its members are commonly known as the sac fungi. They are the largest phylum of *Fungi*, with over 64,000 species.\nThe *ascomycetes* are a monophyletic group, i.e., all of its members trace back to one common ancestor. This group is of particular relevance to humans as sources for medicinally important compounds, such as antibiotics and for making bread, alcoholic beverages, and cheese, but also as pathogens of humans and plants. Familiar examples of sac fungi include morels, truffles, brewer's yeast and baker's yeast, dead man's fingers, and cup fungi." [] xref: http://eol.org/pages/5577 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2034 is_a: FOODON:03411261 ! fungus property_value: hasSynonym "ascomycete" xsd:string property_value: hasSynonym "ascomycota" xsd:string property_value: hasSynonym "ascomycotina" xsd:string property_value: hasSynonym "ascos" xsd:string property_value: hasSynonym "dematiaceae" xsd:string property_value: hasSynonym "plectascales" xsd:string property_value: hasSynonym "protascales" xsd:string property_value: hasSynonym "sac fungi" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Ascomycota xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412069 name: mustard plant def: "Mustards are several plant species in the genera *Brassica* and *Sinapis* whose small mustard seeds are used as a spice and, by grinding and mixing them with water, vinegar or other liquids, are turned into the condiment known as mustard or prepared mustard. The seeds are also pressed to make mustard oil, and the edible leaves can be eaten as mustard greens." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2069 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411179 ! spice or flavor-producing plant is_a: FOODON:03411566 ! leafy vegetable plant is_a: FOODON:03413372 ! brassica species property_value: hasSynonym "brassica spp." xsd:string property_value: hasSynonym "sinapis spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Mustard_plant xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412091 name: squash, gourd or pumpkin plant def: "Cucurbita (Latin for gourd) is a genus of herbaceous vines in the gourd family, Cucurbitaceae, also known as cucurbits, native to the Andes and Mesoamerica. Five species are grown worldwide for their edible fruit, variously known as squash, pumpkin, or gourd depending on species, variety, and local parlance, and for their seeds." [] synonym: "Cucurbita maxima L. (Duch.)" NARROW [] synonym: "pumpkin plant" NARROW [] xref: GRIN:12957 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2091 xref: MANSFELD:4048 is_a: FOODON:03411006 ! fruit plant used as vegetable is_a: FOODON:03414460 ! gourd/squash family relationship: in_taxon NCBITaxon:3660 ! Cucurbita property_value: hasSynonym "cucurbita spp." xsd:string property_value: hasSynonym "pumpkin, squash or gourd" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cucurbita property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412112 name: mollusc def: "*Mollusca* is a large phylum of invertebrate animals whose members are known as molluscs or mollusks. Molluscs are the largest marine phylum, comprising about 23% of all the named marine organisms. Numerous molluscs also live in freshwater and terrestrial habitats. [https://en.wikipedia.org/wiki/Mollusca]" [] synonym: "Mollusca" EXACT [] synonym: "mollusk" EXACT [] xref: EC:No 216/2009 MOL xref: FAO ASFIS:MOL xref: http://eol.org/pages/2195 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2112 is_a: FOODON:03411433 ! shellfish property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412113 name: bivalve def: "*Bivalvia*, in previous centuries referred to as the *Lamellibranchiata* and *Pelecypoda*, is a class of marine and freshwater molluscs that have laterally compressed bodies enclosed by a shell consisting of two hinged parts. Bivalves as a group have no head and they lack some usual molluscan organs like the radula and the odontophore. They include the clams, oysters, cockles, mussels, scallops, and numerous other families that live in saltwater, as well as a number of families that live in freshwater.[https://en.wikipedia.org/wiki/Bivalvia]" [] xref: http://eol.org/pages/2215 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2113 is_a: FOODON:03412112 ! mollusc property_value: hasSynonym "bivalvia" xsd:string property_value: hasSynonym "lamellibranchiata" xsd:string property_value: hasSynonym "pelecypod" xsd:string property_value: hasSynonym "pelecypoda" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412115 name: echinoderm def: "Echinoderm is the common name given to any member of the phylum *Echinodermata* of marine animals. The adults are recognizable by their (usually five-point) radial symmetry, and include such well-known animals as sea stars, sea urchins, sand dollars, and sea cucumbers, as well as the sea lilies or \"stone lilies\". [https://en.wikipedia.org/wiki/Echinoderm]" [] synonym: "Echinodermata" NARROW [] synonym: "Echinodermata Klein, 1734" NARROW [] xref: EC:No 1637/2001 ECH xref: FAO ASFIS:ECH xref: http://www.langual.org/langual_thesaurus.asp?termid=B2115 is_a: FOODON:03411142 ! aquatic invertebrate animal (excluding shellfish) is_a: FOODON:03411433 ! shellfish property_value: hasSynonym "echinodermata" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412126 name: coffee or tea plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B2126 is_a: FOODON:03411179 ! spice or flavor-producing plant property_value: hasSynonym "tea or coffee plant" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412409 name: coelenterate def: "*Coelenterata* is an obsolete term encompassing the animal phyla *Cnidaria* (coral animals, true jellies, sea anemones, sea pens, and their allies) and *Ctenophora* (comb jellies). [https://en.wikipedia.org/wiki/Coelenterata]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2409 is_a: FOODON:03411021 ! fish or lower water animal is_a: FOODON:03411142 ! aquatic invertebrate animal (excluding shellfish) property_value: hasSynonym "coelenterata" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412559 name: poblano pepper plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B2559 is_a: FOODON:03411643 ! hot pepper plant property_value: hasSynonym "pepper, poblano" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412628 name: bell pepper plant def: "The bell pepper (also known as sweet pepper or pepper in the United Kingdom, Canada and Ireland, and capsicum in Australia, India, Pakistan, Bangladesh, Singapore and New Zealand) is a cultivar group of the species *Capsicum annuum*. Bell peppers are sometimes grouped with less pungent pepper varieties as \"sweet peppers\". [https://en.wikipedia.org/wiki/Bell_pepper]" [] synonym: "Capsicum annuum L." NARROW [] synonym: "Capsicum anuum L." NARROW [] synonym: "sweet pepper plant" EXACT [] xref: GRIN:311784 xref: GRIN:8904 xref: http://eol.org/pages/581098 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2628 xref: ITIS:30492 xref: MANSFELD:6120 xref: NCBITaxon:4072 xref: PLANTS:CAAN4 is_a: FOODON:03411250 ! green or red pepper plant union_of: FOODON:03412629 ! green bell pepper plant union_of: FOODON:03412630 ! red bell pepper plant union_of: FOODON:03412631 ! yellow bell pepper plant relationship: in_taxon NCBITaxon:4072 ! Capsicum annuum property_value: hasSynonym "capsicum frutescens var. grossum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412629 name: green bell pepper plant def: "Unripe fruit of red or yellow bell pepper varieties." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2629 is_a: FOODON:03412628 ! bell pepper plant property_value: hasSynonym "green pepper plant" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412630 name: red bell pepper plant def: "Ripe fruit of red bell pepper varieties." [] comment: LanguaL curation note: Do not confuse with *RED PEPPER*. xref: http://www.langual.org/langual_thesaurus.asp?termid=B2630 is_a: FOODON:03412628 ! bell pepper plant property_value: hasSynonym "red bell sweet pepper plant" xsd:string property_value: hasSynonym "red sweet pepper plant" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412631 name: yellow bell pepper plant def: "Ripe fruit of yellow bell pepper varieties." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2631 is_a: FOODON:03412628 ! bell pepper plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412633 name: pungent pepper variety plant def: "Grouped together because of similar use." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2633 is_a: FOODON:03411250 ! green or red pepper plant property_value: hasSynonym "paprika, hot" xsd:string property_value: hasSynonym "red pepper (pungent pepper variety)" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03412972 name: food additive comment: Damion Dooley's note: manysubclasses here are currently originating from LanguaL additives that have not yet been matched to CHEBI ontology terms. If matches are possible they will be implemented over time, at which point the corresponding FoodOn id's will be deprecated. xref: http://www.langual.org/langual_thesaurus.asp?termid=B2972 is_a: FOODON:03411041 ! chemical food component property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 "This section and its narrover terms refer to the European Commission food additive regulation according to COMMISSION REGULATION (EU) No 1129/2011 of 11 November 2011 amending Annex II to Regulation (EC) No 1333/2008 of the European Parliament and of the Council by establishing a Union list of food additives [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2011:295:0001:0177:EN:PDF] and its basis, the four Food Additive Directives: the EEC Framework Directive on Food Additives (89/107/EEC), the Directive on colours (94/36/EC), the Directive on sweeteners (94/35/EC) and the 'miscellaneous' Directive (95/2/EC) plus amendments [http://ec.europa.eu/food/fs/sfp/flav_index_en.html]\n and/or Codex Alimentarius Commission General Standard for Food Additives (CODEX STAN 192, revised 2011) [http://www.codexalimentarius.net/download/standards/4/CXS_192e.pdf].\n\nIf used for food supplement substances, thissection and its narrover terms refer to the European Commission regulation in general [http://ec.europa.eu/food/food/labellingnutrition/supplements/index_en.htm] and specifically to the EC Directive on the approximation of the laws of the Members States relating to food supplements (2002/46/EC) [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]." xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: seeAlso https://eur-lex.europa.eu/legal-content/EN/ALL/?uri=celex:31995L0002 property_value: seeAlso https://www.fda.gov/food/food-additives-petitions/food-additive-status-list property_value: seeAlso https://www.globalharmonization.net/wg-nomenclature [Term] id: FOODON:03413357 name: plant according to family comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=B3357 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413358 name: plant used as fodder xref: http://www.langual.org/langual_thesaurus.asp?termid=B3358 is_a: PO:0000003 ! whole plant property_value: hasSynonym "feed plant" xsd:string property_value: hasSynonym "fodder" xsd:string property_value: hasSynonym "fodder plant" xsd:string property_value: hasSynonym "forage" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413372 name: brassica species synonym: "Brassica" NARROW [] synonym: "Brassica L." NARROW [] synonym: "Brassica sp." NARROW [] synonym: "Brassica spp." NARROW [] xref: CCPR: xref: GRIN:30008 xref: GRIN:300085 xref: http://eol.org/pages/4219 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3372 xref: PLANTS:BRASS2 is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "brassica spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413391 name: tropical or subtropical fruit - inedible peel plant xref: http://www.langual.org/langual_thesaurus.asp?termid=B3391 is_a: FOODON:03411024 ! tropical or subtropical fruit producing plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413396 name: yam plant def: "Yam is the common name for some plant species in the genus *Dioscorea* (family *Dioscoreaceae*) that form edible tubers. Yams are perennial herbaceous vines cultivated for the consumption of their starchy tubers in many temperate and subtropical world regions. The tubers themselves are also called \"yams\", having numerous cultivars.\n\nIn parts of the United States and Canada, \"yam\" is sometimes used to refer to varieties of the completely unrelated sweet potato (*Ipomoea batatas*).[https://en.wikipedia.org/wiki/Yam_(vegetable)]" [] synonym: "Dioscorea L." NARROW [] xref: CCPR: xref: GRIN:300191 xref: http://eol.org/pages/8214 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3396 is_a: FOODON:03411018 ! vegetable-producing plant, root, tuber or bulb property_value: hasSynonym "dioscorea spp." xsd:string property_value: hasSynonym "dioscoreaceae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413507 name: common wheat plant synonym: "Triticum aestivum L." NARROW [] synonym: "Triticum aestivum subsp. aestivum" NARROW [] xref: GRIN:40544 xref: GRIN:410383 xref: http://eol.org/pages/1115240 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3507 xref: ITIS:42237 xref: MANSFELD:34204 xref: NCBITaxon:4565 xref: PLANTS:TRAE is_a: FOODON:03411312 ! wheat plant relationship: in_taxon NCBITaxon:4565 ! Triticum aestivum property_value: hasSynonym "triticum aestivum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413749 name: food supplements, vitamin and mineral substances (ec) def: "This section list vitamins and mineral substances which may be used in the manufacture of food supplements.\nDIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B3749 is_a: FOODON:03411041 ! chemical food component property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413751 name: food supplements, vitamin substances (ec) xref: http://www.langual.org/langual_thesaurus.asp?termid=B3751 is_a: FOODON:03413749 ! food supplements, vitamin and mineral substances (ec) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 "DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF] and its amendments COMMISSION DIRECTIVE 2006/37/EC [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2006:094:0032:0033:EN:PDF] and COMMISSION REGULATION (EC) No 1170/2009 [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2009:314:0036:0042:EN:PDF]." xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03413989 name: albacore and tuna xref: http://eol.org/pages/25172 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3989 is_a: FOODON:03411269 ! tuna property_value: hasSynonym "thunnus spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414168 name: plant used for dietary supplements xref: http://www.langual.org/langual_thesaurus.asp?termid=B4168 is_a: PO:0000003 ! whole plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414221 name: true muskmelon plant def: "Melons with netted skin." [] synonym: "Cucumis melo L. var. reticulatus Ser." NARROW [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4221 is_a: NCBITaxon:3656 ! Cucumis melo property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Melon xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414222 name: north american cantaloupe plant def: "The North American cantaloupe, common in the United States, Mexico, and in some parts of Canada, has a net-like (or reticulated) skin covering. It is a round melon with firm, orange, moderately sweet flesh and a thin, reticulated, light-brown rind. Varieties with redder and yellower flesh exist but are not common in the U.S. market." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4222 is_a: FOODON:03414221 ! true muskmelon plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Cantaloupe xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414302 name: allium species def: "*Allium* is a genus of monocotyledonous flowering plants that includes hundreds of species, including the cultivated onion, garlic, scallion, shallot, leek, and chives. [https://en.wikipedia.org/wiki/Allium]" [] xref: http://eol.org/pages/8187 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4302 is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "allium" xsd:string property_value: hasSynonym "onion" xsd:string property_value: hasSynonym "wild onion" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414319 name: oat plant def: "Species belonging to the taxonomic group *Avena* spp." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4319 is_a: FOODON:03411324 ! grain plant property_value: hasSynonym "avena spp." xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414374 name: bovine def: "The biological subfamily *Bovinae* includes a diverse group of 10 genera of medium- to large-sized ungulates, including domestic cattle, the bison, African buffalo, the water buffalo, the yak, and the four-horned and spiral-horned antelopes. The evolutionary relationship between the members of the group is obscure, and their classification into loose tribes rather than formal subgroups reflects this uncertainty. General characteristics include cloven hoofs and usually at least one of the sexes of a species having true horns." [] xref: http://eol.org/pages/2851454 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4374 is_a: FOODON:03414381 ! bovid property_value: hasSynonym "bovinae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Bovinae xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414381 name: bovid def: "A bovid (family *Bovidae*) is any of almost 140 species of cloven-hoofed, ruminant mammal which has males with characteristic unbranching horns covered in a permanent sheath of keratin.\n\nThe family is widespread, being native to Asia, Africa, Europe and North America, and diverse: members include bison, African buffalo, water buffalo, antelopes, gazelles, sheep, goats, muskoxen, and domestic cattle." [] xref: http://eol.org/pages/7687 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4381 is_a: FOODON:03411134 ! mammal property_value: hasSynonym "bovidae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Bovidae xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414459 name: cucumis species def: "*Cucumis* is a genus of twining, tendril-bearing plants in the *Cucurbitaceae* family which includes the cucumber (*Cucumis sativus*), muskmelons (*Cucumis melo*, including cantaloupe and honeydew), the horned melon (*Cucumis metuliferus*), and the West Indian gherkin (*Cucumis anguria*). [https://en.wikipedia.org/wiki/Cucumis]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4459 is_a: FOODON:03414460 ! gourd/squash family property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414460 name: gourd/squash family def: "The *Cucurbitaceae*, also called cucurbits and the gourd family, are a plant family consisting of about 965 species in around 95 genera, the most important of which are: \n *Cucurbita* - squash, pumpkin, zucchini, some gourds; \n *Lagenaria* - calabash, and others that are inedible; \n *Citrullus* - watermelon (*C. lanatus, C. colocynthis*) and others; \n *Cucumis* - cucumber (*C. sativus*), various melons; \n *Luffa* - luffa, loofah" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4460 is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "cucurbitaceae" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cucurbitaceae property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414466 name: tunicate def: "Tunicates, previously known as *Urochordata* or urochordates, are members of the *Tunicata*, a subphylum of the phylum *Chordata*. They are marine filter feeders with a saclike morphology. In their respiration and feeding they take in water through an incurrent (or inhalant) siphon and expel the filtered water through an excurrent (or exhalant) siphon. Most adult tunicates are sessile and attached to rocks or similarly suitable surfaces on the ocean floor; others such as salps, doliolids and pyrosomes swim in the pelagic zone as adults. Various species are commonly known as sea squirts or sea pork." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4466 is_a: FOODON:03411142 ! aquatic invertebrate animal (excluding shellfish) property_value: hasSynonym "oopah" xsd:string property_value: hasSynonym "sea squirt" xsd:string property_value: hasSynonym "tunicata" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Tunicate xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414741 name: morning-glory family def: "*Ipomoea* is the largest genus in the flowering plant family *Convolvulaceae*, with over 500 species. It is a large and diverse group with common names including morning glory, water convolvulus or kangkung, sweet potato, bindweed, moonflower, etc. [https://en.wikipedia.org/wiki/Ipomoea]" [] synonym: "Ipomoea" NARROW [] synonym: "Ipomoea L." NARROW [] synonym: "Ipomoea spp." NARROW [] xref: GRIN:300283 xref: http://eol.org/pages/4431 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4741 xref: PLANTS:IPOMO is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "birdweed" xsd:string property_value: hasSynonym "ipomoea spp." xsd:string property_value: hasSynonym "kangkung" xsd:string property_value: hasSynonym "moonflower" xsd:string property_value: hasSynonym "sweet potato" xsd:string property_value: hasSynonym "water convolvulus" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414899 name: terrestrial invertebrate def: "Invertebrates are animals that neither possess nor develop a vertebral column (commonly known as a backbone or spine), derived from the notochord. This includes all animals apart from the subphylum *Vertebrata*. Familiar examples of invertebrates include insects; crabs, lobsters and their kin; snails, clams, octopuses and their kin; starfish, sea-urchins and their kin; jellyfish, and worms. [https://en.wikipedia.org/wiki/Invertebrate] \n Terrestrial invertebrates include ants, flies, crickets, grasshoppers and spiders. [https://en.wikipedia.org/wiki/Terrestrial_animal]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B4899 is_a: FOODON:00002452 ! invertebrate animal property_value: hasSynonym "insect" xsd:string property_value: hasSynonym "invertebrate, land" xsd:string property_value: hasSynonym "land snail" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03414934 name: solanaceae plant def: "The *Solanaceae*, or nightshades, are an economically important family of flowering plants. Many members of the family contain potent alkaloids, and some are highly toxic, but many, including tomatoes, potatoes, eggplant, bell/chili peppers, and tobacco are widely used. The *Solanaceae* consists of about 98 genera and some 2,700 species, with a great diversity of habitats, morphology and ecology. [https://en.wikipedia.org/wiki/Solanaceae]" [] xref: http://eol.org/pages/4437 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4934 is_a: FOODON:03413357 ! plant according to family property_value: hasSynonym "nightshade family" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03415104 name: solanum plant def: "*Solanum* is a large and diverse genus of flowering plants, which include two food crops of high economic importance, the potato and the tomato. It also contains the nightshades and horse nettles, as well as numerous plants cultivated for their ornamental flowers and fruit. \n *Solanum* species show a wide range of growing habits, such as annual and perennials, vines, subshrubs, shrubs, and small trees. Many formerly independent genera like *Lycopersicon* (the tomatoes) and *Cyphomandra* are now included in *Solanum* as subgenera or sections. Thus, the genus today contains roughly 1,500-2,000 species." [] synonym: "Solanum" NARROW [] synonym: "Solanum L." NARROW [] synonym: "Solanum spp." NARROW [] xref: GRIN:300568 xref: http://eol.org/pages/4437 xref: http://www.langual.org/langual_thesaurus.asp?termid=B5104 xref: PLANTS:SOLAN is_a: FOODON:03414934 ! solanaceae plant property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Solanum property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420103 name: meat part of animal def: "Edible flesh of any type of animal, including poultry and seafood. Excludes parts containing only animal fat, which is indexed under *FAT OR OIL* or under *FAT, TRIM*." [] comment: Damion Dooley Feb 6, 2017: Good meat cut resources to incorporate for Canada: The CFIA Meat Cuts Manual \nhttp://www.inspection.gc.ca/food/labelling/meat-cuts/eng/1300126276015/1300126372856 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0103 is_a: FOODON:03420127 ! animal body or body part union_of: FOODON:03420175 ! skeletal meat part union_of: FOODON:03420218 ! organ meat property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420108 name: sugar def: "A broad term that includes the nutritive sweeteners dextrose, fructose, galactose, lactose, maltose and sucrose, which are simple carbohydrates with molecules composed of one or two saccharide units. Note that on a product label or in a recipe, 'sugar' means *SUCROSE* and should be so indexed. Use the broad term *SUGAR* only if the specific sugar used is not known or not listed in the vocabulary." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0108 is_a: FOODON:03420152 ! carbohydrate extract, concentrate, or isolate property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420113 name: mammalian milk or milk component def: "A broad term that includes milk and its components, cream, curd and whey; use the appropriate specific term when milk or a milk product is the principal ingredient. Use the appropriate term under *MEAT ANIMAL* to index the source of the milk (note: 21 CFR 131.110 defines milk as cow's milk)." [] comment: LanguaL curation note: For 'whole milk' combine *MILK OR MILK PRODUCT* (A. PRODUCT TYPE) with *MILK* (C. PART OF PLANT OR ANIMAL); for 'lowfat cottage cheese' combine *UNCURED CHEESE* (A. PRODUCT TYPE) with *CURD* (C. PART OF PLANT OR ANIMAL) and *FAT PARTIALLY REMOVED* (H. TREATMENT APPLIED). xref: http://www.langual.org/langual_thesaurus.asp?termid=C0113 is_a: FOODON:03315150 ! mammalian milk product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420116 name: part of organism def: "Anatomical part of the plant or animal from which a food product or its major ingredient is derived." [] comment: LanguaL curation note: "e.g. *LEAF*, *ROOT OR TUBER*, *ORGAN MEAT*, *MILK* OR *EGG*; it also includes components of parts, such as *CREAM*, and extracts, concentrates or isolates, such as *PROTEIN EXTRACT* or *SUGAR*." xref: http://www.langual.org/langual_thesaurus.asp?termid=C0116 is_a: BFO:0000040 ! material entity property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420122 name: nonmeat part of animal def: "Bone, feathers, shell, skin or trim fat." [] comment: LanguaL curation note: *BLOOD* AND *INK, AQUATIC ANIMAL* are now listed under organism substance. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0122 is_a: FOODON:03420127 ! animal body or body part property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420125 name: skeletal meat part, without bone or shell xref: http://www.langual.org/langual_thesaurus.asp?termid=C0125 is_a: FOODON:03420175 ! skeletal meat part property_value: hasSynonym "boneless meat" xsd:string property_value: hasSynonym "skeletal meat part, without bone, skin undetermined" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420127 name: animal body or body part def: "Includes carcass meat, organ meat, and nonmeat parts of animals, as well as the whole animal." [] comment: LanguaL curation note: Includes carcass meat, organ meat, and nonmeat parts of animals, as well as the whole animal. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0127 is_a: FOODON:03420164 ! part of animal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420134 name: seed, skin removed comment: LanguaL curation note: Renamed from *SEED OR KERNEL, SKIN REMOVED* in LanguaL 2008. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0134 is_a: FOODON:03420178 ! seed part property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420144 name: plant above surface, excluding fruit and seed comment: LanguaL curation note: This broad term is used for the plant as a whole, excluding the root and the fruit; for any piece consisting of two or more individual parts (e.g., a celery stalk with the leaf blades attached); or for any mixture of two or more individual parts (e.g., mushroom stems and pieces). xref: http://www.langual.org/langual_thesaurus.asp?termid=C0144 is_a: FOODON:03420148 ! root, stem, leaf or flower property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420148 name: root, stem, leaf or flower def: "The parts of a plant that are not fruit or seed." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0148 is_a: PO:0009011 ! plant structure property_value: hasSynonym "flower, root, stem or leaf" xsd:string property_value: hasSynonym "leaf, flower, root or stem" xsd:string property_value: hasSynonym "stem, leaf, flower or root" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420152 name: carbohydrate extract, concentrate, or isolate def: "Extract, concentrate or isolate high in sugar, oligosaccharide or polysaccharide." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0152 is_a: FOODON:03420228 ! extract, concentrate or isolate of plant or animal property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420164 name: part of animal def: "Anatomical part of an animal; includes eggs and milk that, although separated from the animal, are produced as integral parts and are affected by the animal's food intake and metabolism." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0164 is_a: FOODON:03420116 ! part of organism property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420167 name: fruit part def: "The fleshy fruit of any plant. *FRUIT* includes vegetables berries and pods as well. The bulk of a fruit is its fleshy part, which is covered by a peel (skin) and which encloses a core, pit or seeds." [] comment: LanguaL curation note: The descriptors under *FRUIT* are arrayed so that the indexer can check first whether the peel is present, removed or undetermined; then check the same informationfor the core, pit or seeds. For juices, beverages or jellies made from fruit, Index the entire part from which the product is derived.\n\nRenamed from *FRUIT OR BERRY* in LanguaL 2008. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0167 is_a: PO:0025496 ! multi-tissue plant structure relationship: part_of PO:0009001 ! fruit property_value: hasSynonym "berry" xsd:string property_value: hasSynonym "berry or fruit (anatomical part)" xsd:string property_value: hasSynonym "fruit or berry, peel undetermined" xsd:string property_value: hasSynonym "hip (fruit)" xsd:string property_value: hasSynonym "infructescence" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420175 name: skeletal meat part def: "Carcass meat from any type of animal including poultry and seafood. Includes retail and wholesale cuts other than organ meat. Refers to the whole carcass or parts." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0175 is_a: FOODON:03420103 ! meat part of animal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420178 name: seed part xref: http://www.langual.org/langual_thesaurus.asp?termid=C0178 is_a: PO:0025496 ! multi-tissue plant structure relationship: part_of PO:0009010 ! seed property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420194 name: egg or egg component def: "Poultry, game bird or turtle eggs." [] comment: LanguaL curation note: Fish roe are indexed under *OVARY, ROE*. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0194 is_a: FOODON:03420164 ! part of animal property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420208 name: seed, skin removed, germ removed (endosperm) def: "The bulk of a seed; germ and bran are removed." [] comment: LanguaL curation note: Renamed from *SEED OR KERNEL, SKIN REMOVED, GERM REMOVED (ENDOSPERM)* in LanguaL 2008. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0208 is_a: FOODON:03420134 ! seed, skin removed property_value: hasSynonym "endosperm" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420218 name: organ meat def: "Edible organ meat, including blood and bone marrow." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0218 is_a: FOODON:03420103 ! meat part of animal property_value: hasSynonym "variety meat" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420225 name: egg (without shell) def: "The egg yolk and albumen component of one or more eggs with shell removed." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0225 is_a: FOODON:03420194 ! egg or egg component relationship: has_part UBERON:0007378 ! egg yolk relationship: has_part UBERON:0008944 ! albumen property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420227 name: seed(s) in shell or hull comment: LanguaL curation note: Used for seeds in hard shells rather than pods. Examples include brazil nuts, walnuts, almonds and peanuts. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0227 is_a: PO:0025496 ! multi-tissue plant structure property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420228 name: extract, concentrate or isolate of plant or animal def: "A physical-chemical component separated from the food source or its parts by extraction, centrifugation, filtration, heat processing, expressing or a similar process. The separated component may be converted through further processing. If this is done, the final substance is indexed. A water-extracted component may remain in aqueous dispersion. The extract, concentrate or isolate is indexed in preference to the anatomic part from which it is derived. For example, peanut oil is indexed under *PEANUT* combined wih *FAT OR OIL* rather than with *SEED OR KERNEL*. On the other hand, fruit and vegetable juices can be indexed under *FRUIT JUICE OR NECTAR* or *VEGETABLE JUICE* (A. PRODUCT TYPE); therefore the anatomic part of the plant should be indexed." [] comment: Damion Dooley's note: Items in this branch will be merged into foodon food product branch. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0228 is_a: FOODON:00001714 ! food product component property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420238 name: root, tuber or bulb xref: http://www.langual.org/langual_thesaurus.asp?termid=C0238 is_a: FOODON:03420148 ! root, stem, leaf or flower property_value: hasSynonym "bulb, root or tuber" xsd:string property_value: hasSynonym "tuber, bulb or root" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03420288 name: seed bran def: "The broken outer coat, or husk, of grains of wheat, rye, oats, etc. separated from the flour after grinding, as by sifting (Source: Webster's)" [] xref: LANGUAL:C0288 is_a: FOODON:03420178 ! seed part property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:anyURI [Term] id: FOODON:03420307 name: seed oil def: "The oil produced by pressing or extracting lipids from plant seeds (e.g. grapeseed oil, rapeseed oil, linseed oil) /AM" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0307 is_a: FOODON:00001087 ! vegetable oil food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430113 name: food physical quality def: "The physical state of the food product (liquid, semiliquid, semisolid, or solid). Solid food products are further subdivided by shape or form. Terms are provided for products that have both liquid and solid components or that incorporate air or other gases. [FDA CFSAN 1995]" [] comment: Damion Dooley's note: these categories need to be mapped over to PATO phenotypic categories, with a suitable treatment of mixtures of solids that are divided into parts. xref: http://www.langual.org/langual_thesaurus.asp?termid=E0113 is_a: FOODON:00002470 ! food object quality property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430115 name: divided into pieces, thickness 0.3-1.5 cm. synonym: "chopped" EXACT [] synonym: "diced" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=E0115 is_a: FOODON:03430152 ! divided into pieces intersection_of: FOODON:03430152 ! divided into pieces intersection_of: has_quality FOODON:00002405 ! thickness of 0.3 cm to less than 1.5 cm relationship: has_quality FOODON:00002405 ! thickness of 0.3 cm to less than 1.5 cm property_value: hasSynonym "cracked into medium size pieces" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430122 name: divided or disintegrated comment: LanguaL curation note: The distinctions in this category are based on size characteristics, primarily thickness, which are important for heat transfer and for diffusion of chemicals in processing. *DIVIDED INTO HALVES, QUARTERS OR SEGMENTS* should be examined first and if one of the descriptors listed applies it should be used regardless of the size of the pieces. If none of these are applicable, other *DIVIDED OR DISINTEGRATED* descriptors should be examined. Do not use any of these descriptors if dividing or disintegrating results in a semiliquid or semisolid product. xref: http://www.langual.org/langual_thesaurus.asp?termid=E0122 is_a: FOODON:03430113 ! food physical quality property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430130 name: food (liquid) def: "A state of matter between a solid and a gas, in which a substance has the capacity to flow and conforms to the shape of the container. Liquids range from water to honey, corresponding to a range in viscosity (or apparent viscosity) from 1 to 500 centipoise (viscosity is a measure of a liquid's resistance to flow). Products that are pourable but have a higher viscosity are *SEMILIQUID*." [] comment: SIREN DB annotation:\n* has quality 'liquid' (http://purl.obolibrary.org/obo/FOODON_03430130)\n xref: http://www.langual.org/langual_thesaurus.asp?termid=E0130 xref: SUBSET_SIREN:F5105 is_a: ENVO:01000815 ! liquid environmental material is_a: FOODON:00002454 ! food product by quality intersection_of: FOODON:00002454 ! food product by quality intersection_of: has_quality PATO:0001548 ! quality of a liquid property_value: hasSynonym "fluid" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430137 name: sliced comment: LanguaL curation note: Used for solid products that are divided into uniformly thin pieces (e.g., sliced bread). xref: http://www.langual.org/langual_thesaurus.asp?termid=E0137 is_a: FOODON:03430115 ! divided into pieces, thickness 0.3-1.5 cm. relationship: output_of FOODON:00000071 ! food cutting process property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03430152 name: divided into pieces def: "Divided into pieces whose shape bears little or no relation to the shape of the whole. If all dimensions are below 0.2 cm., use *DISINTEGRATED OR GROUND*. Examples are: bread slice, cubed beef, sliced carrot, cut green beans, apple ring, shredded cabbage or cheese." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=E0152 is_a: FOODON:03430122 ! divided or disintegrated property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03450002 name: food cooking xref: http://www.langual.org/langual_thesaurus.asp?termid=G0002 is_a: FOODON:00002451 ! food transformation process relationship: OBI:0000299 FOODON:00001181 ! has_specified_output food (cooked) [Term] id: FOODON:03450004 name: cooking by dry heat def: "Cooked at moderate to high levels of heat in which no liquid is added and only small amounts of fat may be added to prevent sticking." [] comment: LanguaL xref: http://www.langual.org/langual_thesaurus.asp?termid=G0004 is_a: FOODON:03450002 ! food cooking property_value: hasSynonym "dry cooked" xsd:string [Term] id: FOODON:03450005 name: food baking def: "Cooked without moisture, covered or uncovered, in an oven." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=G0005 is_a: FOODON:03450004 ! cooking by dry heat relationship: OBI:0000299 FOODON:00002456 ! has_specified_output food (baked) property_value: hasSynonym "roasting" xsd:string property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:03460111 name: food treatment process def: "Used to specifically characterize a food product based on the treatment or processes applied to the product or any indexed ingredient. The processes include adding, substituting or removing components or modifying the food or component, e.g., through fermentation." [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0111 is_a: FOODON:00002451 ! food transformation process [Term] id: FOODON:03460119 name: microbial/enzymatic modification process def: "A food modification process by microbial or enzymatic action which results in molecular changes in any food component." [] comment: LanguaL curation note: If salt, sugar or other food additive is used to aid in the modification process, index it by the appropriate term under *INGREDIENT ADDED*. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0119 is_a: FOODON:03460141 ! food modification process property_value: hasSynonym "fermented, unspecified" xsd:string [Term] id: FOODON:03460130 name: physical/chemical modification process def: "A food modification process where physical or chemical changes are effected in any food ingredient through a physical or non-enzymatic chemical process." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=H0130 is_a: FOODON:03460141 ! food modification process [Term] id: FOODON:03460141 name: food modification process comment: LanguaL curation note: Used when the food product underwent mechanical, chemical or enzymatic modification that has affected the texture, flavor or other characteristic of the product. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0141 is_a: FOODON:03460111 ! food treatment process [Term] id: FOODON:03460161 name: fat removal process comment: LanguaL curation note: Used for products that contain less than 60% of the fat naturally present in the food source (more precisely, the part of the food source.) more specific fat levels, which vary from one product type to another, are specified in the extended scope notes for *FAT PARTIALLY REMOVED* and *FAT FULLY REMOVED* in the manual. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0161 is_a: FOODON:03460238 ! food component separation process property_value: hasSynonym "cholesterol removed|defatted" xsd:string [Term] id: FOODON:03460177 name: plant seed or nut food product comment: LanguaL curation note: With the exception of peanut (see *PEANUT OR PEANUT BUTTER ADDED*), used when a nut or seed ingredient is the second ingredient in order of predominance. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0177 is_a: FOODON:00001015 ! plant food product union_of: FOODON:00001172 ! nut food product union_of: FOODON:00001173 ! plant seed food product property_value: IAO:0000116 "This disjunction is provided for food indexers who used the LanguaL category per guidelines. Currently, by specifying the more specific nut or seed as ingredient instead, this category can be inferred." xsd:string property_value: IAO:0000118 "nut or seed added" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03460207 name: food filling process comment: LanguaL curation note: Applies to all filled or stuffed products, including pies and sandwiches. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0207 is_a: FOODON:03460130 ! physical/chemical modification process relationship: OBI:0000293 FOODON:00001868 ! has_specified_input food filling product property_value: hasSynonym "stuffing process" xsd:string [Term] id: FOODON:03460230 name: single component food fermentation comment: LanguaL curation note: Used for products in which either carbohydrates, proteins or fats were modified through microbial processes. Enzymatic or other biological processes may also be involved. If two or more of these components are modified in significant amounts, index under *FERMENTED/MODIFIED, MULTIPLE COMPONENT*. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0230 is_a: FOODON:00001304 ! food fermentation [Term] id: FOODON:03460238 name: food component separation process def: "A component separation process at the very least removes one component from an initial entity. The removed component may be captured as a process output for reuse if not destroyed in the process of removal." [] comment: LanguaL curation note: Use the appropriate term under *COMPONENT REMOVED* to indicate the permanent full or partial removal of a nutritional/chemical component naturally present in the part of plant or animal used. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0238 is_a: FOODON:03460111 ! food treatment process property_value: IAO:0000117 "Damion Dooley" xsd:string [Term] id: FOODON:03460248 name: full fat removal process comment: LanguaL curation note: Used for products that contain less than 10-20% of the fat naturally present in the food source. Examples are skim milk, low-fat cocoa and dry-curd cottage cheese. xref: http://www.langual.org/langual_thesaurus.asp?termid=H0248 is_a: FOODON:03460161 ! fat removal process [Term] id: FOODON:03460256 name: carbohydrate fermentation xref: http://www.langual.org/langual_thesaurus.asp?termid=H0256 is_a: FOODON:03460230 ! single component food fermentation relationship: OBI:0000293 FOODON:03411345 ! has_specified_input yeast property_value: hasSynonym "yeast leavened" xsd:string [Term] id: FOODON:03460263 name: vegetable fat or oil def: "A fat or oil derived from vegetable material" [] comment: This is a convenience class inherited from LanguaL xref: http://www.langual.org/langual_thesaurus.asp?termid=H0263 is_a: FOODON:00001174 ! plant lipid food product union_of: FOODON:00001087 ! vegetable oil food product union_of: FOODON:03316694 ! vegetable fat food product property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000118 "vegetable fat or oil added" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03470107 name: food preservation process def: "The methods contributing to the prevention or retardation of microbial, enzymatic or oxidative spoilage and thus to the extension of shelf life. Index all methods for which information is available, even if a corresponding descriptor has already been used in *H. TREATMENT APPLIED*. Preservation descriptors refer to the finished food as a whole with these exceptions: (1) if the components of a multi-component food, such as cream pie, are preservation by different methods, index all methods; (2) if chemical preservatives are declared on the label, always index them even if it is known that the preservative was introduced through or is only present in a component or ingredient of the food; and (3) if the preservation method for an ingredient is declared on the label (such as brie cheese made from pasteurized milk) index it. Also use *INGREDIENT preservation by THERMAL PROCESSING* or *INGREDIENT preservation by IRRADIATION* when ingredients have been pasteurized, ultrapasteurized, sterilized or irradiated." [] comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=J0107 is_a: FOODON:00002451 ! food transformation process [Term] id: FOODON:03470119 name: pasteurization by irradiation comment: LanguaL curation note: Used when sufficient radiation (e.g. 10 kGy) is applied to destroy most patho-genic and food spoilage organisms. Also index *preservation by CHILLING*. xref: http://www.langual.org/langual_thesaurus.asp?termid=J0119 is_a: FOODON:03470122 ! preservation by ionizing radiation [Term] id: FOODON:03470120 name: heat treatment food preservation def: "Preservation by the use of high temperature for a time sufficient to reduce or destroy undesirable microorganisms and enzyme activity. [FDA CFSAN 1995]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=J0120 is_a: FOODON:03470107 ! food preservation process [Term] id: FOODON:03470122 name: preservation by ionizing radiation def: "Preservation by irradiation, primarily by gamma radiation." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=J0122 is_a: FOODON:03470138 ! preservation by irradiation [Term] id: FOODON:03470135 name: pasteurization by heating comment: LanguaL curation note: Used when the product is held at a temperature of 60-150 °C (140-300 °F) for a time sufficient to destroy most pathogenic and food spoilage organisms. When followed by refrigeration, also index *preservation by CHILLING*. xref: http://www.langual.org/langual_thesaurus.asp?termid=J0135 is_a: FOODON:03470120 ! heat treatment food preservation [Term] id: FOODON:03470138 name: preservation by irradiation def: "Preservation by the use of radiation to destroy or suppress undesirable microorganisms or enzyme activity." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=J0138 is_a: FOODON:03470107 ! food preservation process [Term] id: FOODON:03500010 name: food product contact surface def: "The specific container or coating materials in direct contact with the food. [FDA CFSAN 1995]" [] synonym: "surface" BROAD [] xref: http://www.langual.org/langual_thesaurus.asp?termid=N0010 is_a: FOODON:00003368 ! food contact material property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Food_contact_materials property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03500050 name: food contact surface from natural material xref: http://www.langual.org/langual_thesaurus.asp?termid=N0050 is_a: FOODON:03500010 ! food product contact surface property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03530049 name: meat, poultry or fish physical quality comment: LanguaL curation note: This term is for CLASSIFICATION ONLY; DO NOT USE term in indexing. Use a more precise narrower term. xref: http://www.langual.org/langual_thesaurus.asp?termid=Z0049 is_a: FOODON:00002470 ! food object quality property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "adjunct characteristics of meat, poultry or fish" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03530055 name: color of fish flesh comment: LanguaL curation note: Used to characterize colors of tuna or salmon flesh. The appropriate narrower term is used only when tuna or salmon is the first or sole ingredient of a food product. xref: http://www.langual.org/langual_thesaurus.asp?termid=Z0055 is_a: FOODON:03530049 ! meat, poultry or fish physical quality property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03530058 name: dark fish flesh comment: LanguaL curation note: This color designation describes tuna flesh that is darker than munsell value 5.3 (21 CFR 161.190(a)(4) (iii)). xref: http://www.langual.org/langual_thesaurus.asp?termid=Z0058 is_a: FOODON:03530055 ! color of fish flesh property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03543402 name: 34020 - coffee, cocoa, tea and infusions (efsa foodex2) def: "The category covers both raw materials and infusions of cacao, coffee, tea and other vegetable products for infusions." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A03GG is_a: FOODON:03401895 ! efsa food classification and description system for exposure assessment (efsa foodex2) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03543700 name: 37000 - hot drinks and similar (coffee, cocoa, tea and herbal infusions) (efsa foodex2) def: "The category covers all types of Coffee, cocoa, tea and herbal infusions. The part consumed/analysed is by default the whole marketed unit or a homogeneous representative portion. When relevant, information on the part consumed/analysed has to be reported with additional facet descriptors.[https://en.wikipedia.org/wiki/List_of_hot_drinks] and [https://www.google.co.uk/search?tbm=isch&q=Hot drinks and similar (coffee, cocoa, tea and herbal infusions)]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A03JZ is_a: FOODON:03543402 ! 34020 - coffee, cocoa, tea and infusions (efsa foodex2) property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03543722 name: 37220 - cocoa beverages (efsa foodex2) def: "The group includes any type of Cocoa beverages, i.e. beverages usually made with cocoa powder and possibly other cocoa-based products dissolved into a liquid. The part consumed/analysed is by default the whole marketed unit or a homogeneous representative portion.[https://www.google.co.uk/search?tbm=isch&q=Cocoa beverages]" [] xref: http://www.langual.org/langual_thesaurus.asp?termid=A03KY is_a: FOODON:03543700 ! 37000 - hot drinks and similar (coffee, cocoa, tea and herbal infusions) (efsa foodex2) intersection_of: RO:0002351 FOODON:00001215 ! has member cacao food product intersection_of: RO:0002351 FOODON:00001215 {all_only="true"} ! has member cacao food product relationship: RO:0002351 FOODON:00001215 ! has member cacao food product property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string [Term] id: FOODON:03600000 name: black cohosh supplement def: "A botanical dietary supplement composed primarily of the root or root extract of the Actaea racemosa plant." [] comment: Black cohosh supplementation has been used in functional medicine for management of menopausal symptoms. synonym: "black bugbane supplement" EXACT [] synonym: "black snakeroot supplement" EXACT [] synonym: "Cimicifuga racemosa supplement" EXACT [] xref: DRON:00020995 xref: DRON:00024242 is_a: FOODON:03401306 ! dietary supplement, botanical property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:28 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Actaea_racemosa xsd:string property_value: IAO:0000119 https://www.nccih.nih.gov/health/black-cohosh xsd:string [Term] id: FOODON:03600001 name: coenzyme Q10 supplement def: "A dietary supplement composed primarily of the ubiquinone coenzyme Q10." [] comment: Coenzyme Q10 supplementation has been used in functional medicine for a wide range of ailments including heart disease and cancer. synonym: "CoQ10 supplement" EXACT [] synonym: "ubiquinone-10 supplement" EXACT [] xref: DRON:00021427 xref: DRON:00021428 xref: DRON:00024309 xref: DRON:00024311 xref: DRON:00032484 xref: DRON:00751502 is_a: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: has_part CHEBI:46245 ! coenzyme Q10 relationship: has_part CHEBI:46245 ! coenzyme Q10 property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:29 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Coenzyme_Q10 xsd:string property_value: IAO:0000119 https://www.nccih.nih.gov/health/coenzyme-q10 xsd:string [Term] id: FOODON:03600002 name: fish oil supplement def: "A dietary fat supplement composed primarily of fish oil." [] comment: Fish oil supplementation has been used in function medicine to reduce cardiovascular disease risk and reduce inflammation. is_a: FOODON:03401310 ! fat or oil supplement intersection_of: FOODON:03401310 ! fat or oil supplement intersection_of: has_part FOODON:03306123 ! fish oil relationship: has_part FOODON:03306123 ! fish oil property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:30 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://www.health.harvard.edu/blog/fish-oil-friend-or-foe-201307126467 xsd:string [Term] id: FOODON:03600003 name: flaxseed oil supplement def: "A dietary fat supplement composed primarily of flaxseed oil." [] comment: Flaxseed oil supplementation has been used in function medicine for a variety of ailments including gastrointestinal complaints and cardiovascular disease. is_a: FOODON:03401310 ! fat or oil supplement intersection_of: FOODON:03401310 ! fat or oil supplement intersection_of: has_part FOODON:00001088 ! flaxseed oil relationship: has_part FOODON:00001088 ! flaxseed oil property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:31 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://www.nccih.nih.gov/health/flaxseed-and-flaxseed-oil xsd:string [Term] id: FOODON:03600004 name: ginkgo biloba supplement def: "A botanical dietary supplement composed primarily of a Ginkgo biloba plant leaf extract." [] comment: Ginkgo biloba supplementation has been used in functional medicine for a variety of ailments including peripheral artery disease and dementia. synonym: "ginkgo leaf supplement" EXACT [] xref: DRON:00022022 xref: DRON:00022023 xref: DRON:00024375 xref: DRON:00025240 xref: DRON:00030691 is_a: FOODON:03401306 ! dietary supplement, botanical property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:32 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginkgo_biloba xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/ginkgo xsd:string [Term] id: FOODON:03600005 name: ginseng supplement def: "A botanical dietary supplement composed primarily of the root or root extract of the Panax ginseng plant." [] comment: Ginseng supplementation has been used in functional medicine to stimulate immune function, improve well-being, and a variety of other health problems. synonym: "Asian ginseng supplement" EXACT [] is_a: FOODON:03401306 ! dietary supplement, botanical intersection_of: FOODON:03401306 ! dietary supplement, botanical intersection_of: RO:0001000 FOODON:00003718 ! derives from ginseng root (whole) relationship: RO:0001000 FOODON:00003718 ! derives from ginseng root (whole) property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:33 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Ginseng xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/asian-ginseng xsd:string [Term] id: FOODON:03600006 name: glucosamine supplement def: "A dietary supplement composed primarily of the amino sugar glucosamine." [] comment: Glucosamine supplementation has been used in functional medicine for arthritis and pain. is_a: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: has_part CHEBI:5417 ! glucosamine relationship: has_part CHEBI:5417 ! glucosamine property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:34 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Glucosamine#Manufacturing xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/glucosamine-and-chondroitin-for-osteoarthritis xsd:string [Term] id: FOODON:03600007 name: melatonin supplement def: "A dietary supplement composed primarily of the hormone melatonin." [] comment: Melatonin supplementation has been used in functional medicine for circadian rhythm disruption and insomnia. xref: DRON:00022387 xref: DRON:00024422 xref: DRON:00025242 xref: DRON:00034121 xref: DRON:00034351 xref: DRON:00751109 xref: DRON:00751358 is_a: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: FOODON:03401309 ! dietary supplement, metabolite or precursor intersection_of: has_part CHEBI:16796 ! melatonin relationship: has_part CHEBI:16796 ! melatonin property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:35 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://www.nccih.nih.gov/health/melatonin-what-you-need-to-know xsd:string [Term] id: FOODON:03600008 name: milk thistle supplement def: "A botanical dietary supplement composed primarily of extract from the seeds of the Silybum marianum plant." [] comment: Milk thistle supplementation has been used in functional medicine for a variety of ailments including hepatitis, cirrhosis, and diabetes. synonym: "milk thistle extract supplement" EXACT [] synonym: "silymarin supplement" EXACT [] xref: DRON:00022554 xref: DRON:00022555 xref: DRON:00024434 xref: DRON:00024676 is_a: FOODON:03401306 ! dietary supplement, botanical intersection_of: FOODON:03401306 ! dietary supplement, botanical intersection_of: RO:0001000 FOODON:00003905 ! derives from Silybum marianum seed (whole) relationship: RO:0001000 FOODON:00003905 ! derives from Silybum marianum seed (whole) property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:36 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Silybum_marianum xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/milk-thistle xsd:string [Term] id: FOODON:03600009 name: omega-3- fatty acid supplement def: "A dietary fat supplement composed primarily of omega-3 fatty acids eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA)." [] comment: Omega-3- fatty acid supplementation has been used in function medicine for a variety of ailments including hypertriglyceridemia and rheumatoid arthritis. synonym: "docosahexaenoic acid (DHA) supplement" NARROW [] synonym: "eicosapentaenoic acid (EPA) supplement" NARROW [] is_a: FOODON:03401310 ! fat or oil supplement intersection_of: FOODON:03401310 ! fat or oil supplement intersection_of: has_part CHEBI:25681 ! ω−3 fatty acid relationship: has_part CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:37 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://www.nccih.nih.gov/health/omega3-supplements-in-depth xsd:string [Term] id: FOODON:03600010 name: red yeast rice supplement def: "A botanical dietary supplement composed primarily of red yeast rice (rice fermented with the mold Monascus purpureus)." [] comment: Red yeast rice supplementation has been used in functional medicine to aid in digestion and reduce blood cholesterol. synonym: "angkak supplement" EXACT [] synonym: "red fermented rice supplement" EXACT [] synonym: "red koji rice supplement" EXACT [] xref: DRON:00024498 xref: DRON:00032781 is_a: FOODON:03401306 ! dietary supplement, botanical intersection_of: FOODON:03401306 ! dietary supplement, botanical intersection_of: has_part FOODON:03301641 ! rice kernel food product intersection_of: has_part NCBITaxon:5098 ! Monascus purpureus relationship: has_part FOODON:03301641 ! rice kernel food product relationship: has_part NCBITaxon:5098 ! Monascus purpureus property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:38 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Red_yeast_rice xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/red-yeast-rice xsd:string [Term] id: FOODON:03600011 name: resveratrol supplement def: "A botanical dietary supplement composed primarily of resveratrol." [] comment: Resveratrol supplementation has been used in functional medicine to reduce blood pressure and improve cognition. xref: DRON:00033450 is_a: FOODON:03401306 ! dietary supplement, botanical intersection_of: FOODON:03401306 ! dietary supplement, botanical intersection_of: has_part CHEBI:27881 ! resveratrol relationship: has_part CHEBI:27881 ! resveratrol property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:39 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Resveratrol xsd:string [Term] id: FOODON:03600012 name: St. John's wort supplement def: "A botanical dietary supplement composed primarily of an extract of the flower of the Hypericum perforatum plant." [] comment: St. john's wort supplementation has been used in functional medicine for a variety of ailments including insomnia and depression. St. John's wort is a cytochrome P450 inducer and has known interactions with some medications. synonym: "hypericum supplement" EXACT [] xref: DRON:00023439 xref: DRON:00023441 xref: DRON:00023442 is_a: FOODON:03401306 ! dietary supplement, botanical intersection_of: FOODON:03401306 ! dietary supplement, botanical intersection_of: RO:0001000 FOODON:00003906 ! derives from Hypericum perforatum flower (whole) relationship: RO:0001000 FOODON:00003906 ! derives from Hypericum perforatum flower (whole) property_value: http://purl.org/dc/elements/1.1/date 2021-06-08T13:32:40 xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Hypericum_perforatum xsd:string property_value: seeAlso https://www.nccih.nih.gov/health/st-johns-wort xsd:string [Term] id: FOODON:03602002 name: game bird def: "An avian animal which is any of a number of species of wild birds which are hunted, killed and eaten by humans." [] is_a: FOODON:03411563 ! poultry or game bird property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-9578-0788 property_value: IAO:0000114 "requires discussion" xsd:string property_value: IAO:0000119 https://simple.wikipedia.org/wiki/Game_bird#:~:text=A%20game%20bird%20is%20any,so%20there%20are%20gun%20laws. xsd:string creation_date: 2022-11-03T01:40:18.746Z [Term] id: GAZ:00000013 name: continent def: "One of the large, unbroken masses of land into which the Earth's surface is divided." [] is_a: GEO:000000372 ! geographical region property_value: IAO:0000412 http://purl.obolibrary.org/obo/gaz.owl [Term] id: GAZ:00000458 name: North America comment: LanguaL curation note: US FDA 1995 Code: QT xref: http://www.langual.org/langual_thesaurus.asp?termid=R0362 is_a: GAZ:00000013 ! continent property_value: IAO:0000118 "north america" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/gaz.owl [Term] id: GAZ:00002459 name: United States of America def: "A federal constitutional republic comprising fifty states and a federal district. The country is situated mostly in central North America, where its forty-eight contiguous states and Washington, DC, the capital district, lie between the Pacific and Atlantic Oceans, bordered by Canada to the north and Mexico to the south. The State of Alaska is in the northwest of the continent, with Canada to its east and Russia to the west across the Bering Strait, and the State of Hawaii is in the mid-Pacific. The United States also possesses several territories, or insular areas, that are scattered around the Caribbean and Pacific. The states are divided into smaller administrative regions, called counties in most states, exceptions being Alaska (parts of the state are organized into subdivisions called boroughs; the rest of the state's territory that is not included in any borough is divided into \"census areas\"), and Louisiana (which is divided into county-equivalents that are called parishes). There are also independent cities which are within particular states but not part of any particular county or consolidated city-counties. Another type of organization is where the city and county are unified and function as an independent city. There are thirty-nine independent cities in Virginia and other independent cities or city-counties are San Francisco, California, Baltimore, Maryland, St. Louis, Missouri, Denver, Colorado and Carson City, Nevada. Counties can include a number of cities, towns, villages, or hamlets, or sometimes just a part of a city. Counties have varying degrees of political and legal significance, but they are always administrative divisions of the state. Counties in many states are further subdivided into townships, which, by definition, are administrative divisions of a county. In some states, such as Michigan, a township can file a charter with the state government, making itself into a \"charter township\", which is a type of mixed municipal and township status (giving the township some of the rights of a city without all of the responsibilities), much in the way a metropolitan municipality is a mixed municipality and county." [] comment: LanguaL curation note: US FDA 1995 Code: US xref: http://www.langual.org/langual_thesaurus.asp?termid=R0413 is_a: NCIT:C25464 ! Country relationship: RO:0001025 GAZ:00000458 ! located in North America property_value: IAO:0000118 "united states" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/gaz.owl [Term] id: GAZ:00002560 name: Canada def: "A country occupying most of northern North America, extending from the Atlantic Ocean in the east to the Pacific Ocean in the west and northward into the Arctic Ocean. Canada is a federation composed of ten provinces and three territories; in turn, these may be grouped into regions. Western Canada consists of British Columbia and the three Prairie provinces (Alberta, Saskatchewan, and Manitoba). Central Canada consists of Quebec and Ontario. Atlantic Canada consists of the three Maritime provinces (New Brunswick, Prince Edward Island, and Nova Scotia), along with Newfoundland and Labrador. Eastern Canada refers to Central Canada and Atlantic Canada together. Three territories (Yukon, Northwest Territories, and Nunavut) make up Northern Canada." [] comment: LanguaL curation note: US FDA 1995 Code: CA xref: http://www.langual.org/langual_thesaurus.asp?termid=R0171 is_a: NCIT:C25464 ! Country relationship: RO:0001025 GAZ:00000458 ! located in North America property_value: IAO:0000118 "canada" xsd:string property_value: IAO:0000412 http://langual.org xsd:string [Term] id: GEO:000000370 name: geographical entity def: "A material entity that is (1) a bona fide or fiat object part of the crust, any bodies of liquid on or contained within the crust, or planetary boundary layer (if present) of a terrestrial planet (including Earth), dwarf planet, exoplanet, natural satellite, planetesimal, or small Solar System body, and that (2) overlaps the planetary surface (including having a boundary that coincides with part of the planetary surface)." [] xref: langual:thesaurus.asp?termid=R0010 is_a: BFO:0000040 ! material entity property_value: IAO:0000111 "geographical entity of astronomical body" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/geo.owl [Term] id: GEO:000000372 name: geographical region def: "A geographical entity that is demarcated at least in part by one or more closed fiat boundaries all of whose lines are part of the planetary surface." [] xref: langual:thesaurus.asp?termid=R0509 is_a: GEO:000000370 ! geographical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/geo.owl [Term] id: GO:0000035 name: acyl binding namespace: molecular_function def: "Binding to an acyl group, any group formally derived by removal of the hydroxyl group from the acid function of a carboxylic acid." [GOC:curators, ISBN:0198506732] synonym: "acyl-CoA or acyl binding" BROAD [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:22221 ! acyl group relationship: has_input CHEBI:22221 ! acyl group [Term] id: GO:0000271 name: polysaccharide biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically." [GOC:go_curators] synonym: "glycan biosynthesis" EXACT [] synonym: "glycan biosynthetic process" EXACT [] synonym: "polysaccharide anabolism" EXACT [] synonym: "polysaccharide biosynthesis" EXACT [] synonym: "polysaccharide formation" EXACT [] synonym: "polysaccharide synthesis" EXACT [] is_a: GO:0005976 ! polysaccharide metabolic process is_a: GO:0009059 ! macromolecule biosynthetic process is_a: GO:0016051 ! carbohydrate biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:18154 ! polysaccharide relationship: has_primary_output CHEBI:18154 ! polysaccharide [Term] id: GO:0001505 name: regulation of neurotransmitter levels namespace: biological_process def: "Any process that modulates levels of neurotransmitter." [GOC:jl] [Term] id: GO:0001677 name: formation of translation initiation ternary complex namespace: biological_process def: "Formation of a complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator)." [GOC:hjd] synonym: "translation initiation ternary complex assembly" EXACT [] is_a: GO:0022618 ! ribonucleoprotein complex assembly intersection_of: GO:0022607 ! cellular component assembly intersection_of: results_in_assembly_of GO:0044207 ! translation initiation ternary complex relationship: part_of GO:0006413 ! translational initiation relationship: results_in_assembly_of GO:0044207 ! translation initiation ternary complex [Term] id: GO:0001692 name: histamine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans." [GOC:jl, ISBN:0395825172] synonym: "histamine metabolism" EXACT [] is_a: GO:0006576 ! biogenic amine metabolic process is_a: GO:0052803 ! imidazole-containing compound metabolic process is_a: GO:0097164 ! ammonium ion metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:58432 ! histaminium relationship: has_primary_input_or_output CHEBI:58432 ! histaminium [Term] id: GO:0001694 name: histamine biosynthetic process namespace: biological_process alt_id: GO:0001693 def: "The chemical reactions and pathways resulting in the formation of histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans." [GOC:jl, ISBN:0395825172] synonym: "histamine anabolism" EXACT [] synonym: "histamine biosynthesis" EXACT [] synonym: "histamine formation" EXACT [] synonym: "histamine synthesis" EXACT [] is_a: GO:0001692 ! histamine metabolic process is_a: GO:0042401 ! biogenic amine biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:58432 ! histaminium relationship: has_primary_output CHEBI:58432 ! histaminium [Term] id: GO:0002054 name: nucleobase binding namespace: molecular_function def: "Binding to a nucleobase, any of a class of pyrmidines or purines, organic nitrogenous bases." [GOC:hjd] subset: goslim_pir is_a: GO:0036094 ! small molecule binding is_a: GO:0097159 ! organic cyclic compound binding is_a: GO:1901363 ! heterocyclic compound binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:18282 ! nucleobase relationship: has_input CHEBI:18282 ! nucleobase [Term] id: GO:0003674 name: molecular_function namespace: molecular_function alt_id: GO:0005554 def: "A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. These actions are described from two distinct but related perspectives: (1) biochemical activity, and (2) role as a component in a larger system/process." [GOC:pdt] comment: Note that, in addition to forming the root of the molecular function ontology, this term is recommended for use for the annotation of gene products whose molecular function is unknown. When this term is used for annotation, it indicates that no information was available about the molecular function of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. Despite its name, this is not a type of 'function' in the sense typically defined by upper ontologies such as Basic Formal Ontology (BFO). It is instead a BFO:process carried out by a single gene product or complex. subset: goslim_candida subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "molecular function" EXACT [] is_a: BFO:0000015 ! process property_value: IAO:0000589 "molecular process" xsd:string [Term] id: GO:0003676 name: nucleic acid binding namespace: molecular_function alt_id: GO:0000496 def: "Binding to a nucleic acid." [GOC:jl] subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant synonym: "base pairing" NARROW [] is_a: GO:0097159 ! organic cyclic compound binding is_a: GO:1901363 ! heterocyclic compound binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33696 ! nucleic acid relationship: has_input CHEBI:33696 ! nucleic acid [Term] id: GO:0003723 name: RNA binding namespace: molecular_function alt_id: GO:0000498 alt_id: GO:0044822 def: "Binding to an RNA molecule or a portion thereof." [GOC:jl, GOC:mah] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_generic subset: goslim_mouse subset: goslim_plant subset: goslim_yeast subset: prokaryote_subset synonym: "base pairing with RNA" NARROW [] synonym: "poly(A) RNA binding" RELATED [] synonym: "poly(A)-RNA binding" RELATED [] synonym: "poly-A RNA binding" RELATED [] xref: Reactome:R-HSA-203922 "Exportin-5 recognizes 3' overhang of pre-miRNA" is_a: GO:0003676 ! nucleic acid binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33697 ! ribonucleic acid relationship: has_input CHEBI:33697 ! ribonucleic acid [Term] id: GO:0003824 name: catalytic activity namespace: molecular_function def: "Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic." [GOC:vw, ISBN:0198506732] subset: goslim_agr subset: goslim_chembl subset: goslim_flybase_ribbon subset: goslim_generic subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant synonym: "enzyme activity" EXACT [GOC:dph, GOC:tb] xref: Wikipedia:Enzyme is_a: GO:0003674 ! molecular_function [Term] id: GO:0004857 name: enzyme inhibitor activity namespace: molecular_function alt_id: GO:0048551 def: "Binds to and stops, prevents or reduces the activity of an enzyme." [GOC:ai, GOC:ebc] comment: This term should only be used in cases when the regulator directly interacts with the enzyme. synonym: "metalloenzyme inhibitor activity" NARROW [] is_a: GO:0030234 ! enzyme regulator activity is_a: GO:0140678 ! molecular function inhibitor activity intersection_of: GO:0098772 ! molecular function regulator activity intersection_of: negatively_regulates GO:0003824 ! catalytic activity relationship: negatively_regulates GO:0003824 ! catalytic activity [Term] id: GO:0005488 name: binding namespace: molecular_function def: "The selective, non-covalent, often stoichiometric, interaction of a molecule with one or more specific sites on another molecule." [GOC:ceb, GOC:mah, ISBN:0198506732] comment: Note that this term is in the subset of terms that should not be used for direct, manual gene product annotation. Please choose a more specific child term, or request a new one if no suitable term is available. For ligands that bind to signal transducing receptors, consider the molecular function term 'receptor binding ; GO:0005102' and its children. subset: gocheck_do_not_annotate subset: goslim_pir subset: goslim_plant synonym: "ligand" NARROW [] xref: Wikipedia:Binding_(molecular) is_a: GO:0003674 ! molecular_function [Term] id: GO:0005496 name: steroid binding namespace: molecular_function def: "Binding to a steroid, any of a large group of substances that have in common a ring system based on 1,2-cyclopentanoperhydrophenanthrene." [GOC:jl, ISBN:0198506732] subset: goslim_pir is_a: GO:0008289 ! lipid binding is_a: GO:0097159 ! organic cyclic compound binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:35341 ! steroid relationship: has_input CHEBI:35341 ! steroid [Term] id: GO:0005504 name: fatty acid binding namespace: molecular_function def: "Binding to a fatty acid, an aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis." [ISBN:0198506732] is_a: GO:0008289 ! lipid binding is_a: GO:0033293 ! monocarboxylic acid binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:28868 ! fatty acid anion relationship: has_input CHEBI:28868 ! fatty acid anion [Term] id: GO:0005506 name: iron ion binding namespace: molecular_function def: "Binding to an iron (Fe) ion." [GOC:ai] synonym: "iron binding" EXACT [] is_a: GO:0046914 ! transition metal ion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:24875 ! iron cation relationship: has_input CHEBI:24875 ! iron cation [Term] id: GO:0005509 name: calcium ion binding namespace: molecular_function def: "Binding to a calcium ion (Ca2+)." [GOC:ai] synonym: "calcium ion storage activity" RELATED [] is_a: GO:0046872 ! metal ion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:29108 ! calcium(2+) relationship: has_input CHEBI:29108 ! calcium(2+) [Term] id: GO:0005515 name: protein binding namespace: molecular_function alt_id: GO:0001948 alt_id: GO:0045308 def: "Binding to a protein." [GOC:go_curators] subset: goslim_candida subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant synonym: "glycoprotein binding" NARROW [] synonym: "protein amino acid binding" EXACT [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input PR:000000001 ! protein relationship: has_input PR:000000001 ! protein [Term] id: GO:0005536 name: glucose binding namespace: molecular_function def: "Binding to D- or L-enantiomers of glucose." [GOC:jl] is_a: GO:0048029 ! monosaccharide binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:17234 ! glucose relationship: has_input CHEBI:17234 ! glucose [Term] id: GO:0005575 name: cellular_component namespace: cellular_component alt_id: GO:0008372 def: "A location, relative to cellular compartments and structures, occupied by a macromolecular machine when it carries out a molecular function. There are two ways in which the gene ontology describes locations of gene products: (1) relative to cellular structures (e.g., cytoplasmic side of plasma membrane) or compartments (e.g., mitochondrion), and (2) the stable macromolecular complexes of which they are parts (e.g., the ribosome)." [GOC:pdt, NIF_Subcellular:sao1337158144] comment: Note that, in addition to forming the root of the cellular component ontology, this term is recommended for use for the annotation of gene products whose cellular component is unknown. When this term is used for annotation, it indicates that no information was available about the cellular component of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. subset: goslim_candida subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "cell or subcellular entity" EXACT [] synonym: "cellular component" EXACT [] synonym: "subcellular entity" RELATED [NIF_Subcellular:nlx_subcell_100315] xref: NIF_Subcellular:sao1337158144 is_a: BFO:0000040 ! material entity [Term] id: GO:0005622 name: intracellular anatomical structure namespace: cellular_component def: "A component of a cell contained within (but not including) the plasma membrane. In eukaryotes it includes the nucleus and cytoplasm." [ISBN:0198506732] subset: gocheck_do_not_annotate subset: goslim_chembl subset: goslim_metagenomics subset: goslim_plant synonym: "internal to cell" EXACT [] synonym: "intracellular" EXACT [] synonym: "nucleocytoplasm" RELATED [GOC:mah] synonym: "protoplasm" EXACT [] synonym: "protoplast" RELATED [GOC:mah] xref: Wikipedia:Intracellular is_a: GO:0110165 ! cellular anatomical entity relationship: part_of CL:0000000 ! cell property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/17776 xsd:anyURI [Term] id: GO:0005634 name: nucleus namespace: cellular_component def: "A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent." [GOC:go_curators] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_generic subset: goslim_metagenomics subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "cell nucleus" EXACT [] synonym: "horsetail nucleus" NARROW [GOC:al, GOC:mah, GOC:vw, PMID:15030757] xref: NIF_Subcellular:sao1702920020 xref: Wikipedia:Cell_nucleus is_a: GO:0043231 ! intracellular membrane-bounded organelle relationship: in_taxon NCBITaxon:2759 ! Eukaryota relationship: only_in_taxon NCBITaxon:2759 ! Eukaryota property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl [Term] id: GO:0005635 name: nuclear envelope namespace: cellular_component alt_id: GO:0005636 def: "The double lipid bilayer enclosing the nucleus and separating its contents from the rest of the cytoplasm; includes the intermembrane space, a gap of width 20-40 nm (also called the perinuclear space)." [ISBN:0198547684] subset: goslim_chembl subset: goslim_generic subset: goslim_plant xref: Wikipedia:Nuclear_envelope is_a: GO:0031967 ! organelle envelope relationship: part_of GO:0005634 ! nucleus relationship: part_of GO:0012505 ! endomembrane system [Term] id: GO:0005737 name: cytoplasm namespace: cellular_component def: "The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures." [ISBN:0198547684] subset: goslim_candida subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_yeast subset: prokaryote_subset xref: Wikipedia:Cytoplasm is_a: GO:0110165 ! cellular anatomical entity relationship: part_of GO:0005622 ! intracellular anatomical structure property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/23023 xsd:anyURI [Term] id: GO:0005773 name: vacuole namespace: cellular_component def: "A closed structure, found only in eukaryotic cells, that is completely surrounded by unit membrane and contains liquid material. Cells contain one or several vacuoles, that may have different functions from each other. Vacuoles have a diverse array of functions. They can act as a storage organelle for nutrients or waste products, as a degradative compartment, as a cost-effective way of increasing cell size, and as a homeostatic regulator controlling both turgor pressure and pH of the cytosol." [GOC:mtg_sensu, ISBN:0198506732] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_generic subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "vacuolar carboxypeptidase Y" RELATED [] xref: Wikipedia:Vacuole is_a: GO:0043231 ! intracellular membrane-bounded organelle relationship: part_of GO:0005737 ! cytoplasm [Term] id: GO:0005886 name: plasma membrane namespace: cellular_component alt_id: GO:0005887 alt_id: GO:0005904 def: "The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins." [ISBN:0716731363] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_metagenomics subset: goslim_mouse subset: goslim_plant subset: goslim_yeast subset: prokaryote_subset synonym: "bacterial inner membrane" NARROW [] synonym: "cell membrane" EXACT [] synonym: "cellular membrane" EXACT [NIF_Subcellular:sao6433132645] synonym: "cytoplasmic membrane" EXACT [] synonym: "inner endospore membrane" NARROW [] synonym: "integral component of plasma membrane" NARROW [] synonym: "integral to plasma membrane" NARROW [] synonym: "juxtamembrane" BROAD [] synonym: "plasma membrane lipid bilayer" NARROW [GOC:mah] synonym: "plasmalemma" EXACT [] xref: NIF_Subcellular:sao1663586795 xref: Wikipedia:Cell_membrane is_a: GO:0016020 ! membrane relationship: part_of GO:0071944 ! cell periphery [Term] id: GO:0005938 name: cell cortex namespace: cellular_component def: "The region of a cell that lies just beneath the plasma membrane and often, but not always, contains a network of actin filaments and associated proteins." [GOC:mah, ISBN:0815316194] subset: goslim_candida subset: goslim_yeast synonym: "cell periphery" RELATED [] synonym: "peripheral cytoplasm" RELATED [] xref: Wikipedia:Cell_cortex is_a: GO:0005737 ! cytoplasm intersection_of: GO:0005737 ! cytoplasm intersection_of: part_of GO:0071944 ! cell periphery relationship: part_of GO:0071944 ! cell periphery [Term] id: GO:0005975 name: carbohydrate metabolic process namespace: biological_process alt_id: GO:0044261 alt_id: GO:0044723 def: "The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y." [GOC:mah, ISBN:0198506732] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_pombe subset: goslim_yeast subset: prokaryote_subset synonym: "carbohydrate metabolism" EXACT [] xref: Wikipedia:Carbohydrate_metabolism is_a: GO:0044238 ! primary metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:16646 ! carbohydrate relationship: has_primary_input_or_output CHEBI:16646 ! carbohydrate property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/22880 xsd:anyURI created_by: jl creation_date: 2012-10-23T15:40:34Z [Term] id: GO:0005976 name: polysaccharide metabolic process namespace: biological_process alt_id: GO:0044263 def: "The chemical reactions and pathways involving a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically." [ISBN:0198547684] subset: goslim_pir synonym: "glycan metabolic process" NARROW [] synonym: "glycan metabolism" NARROW [] synonym: "multicellular organismal polysaccharide metabolic process" NARROW [] synonym: "polysaccharide metabolism" EXACT [] is_a: GO:0005975 ! carbohydrate metabolic process is_a: GO:0043170 ! macromolecule metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:18154 ! polysaccharide relationship: has_primary_input_or_output CHEBI:18154 ! polysaccharide [Term] id: GO:0005996 name: monosaccharide metabolic process namespace: biological_process def: "The chemical reactions and pathways involving monosaccharides, the simplest carbohydrates. They are polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides." [ISBN:0198506732] synonym: "monosaccharide metabolism" EXACT [] is_a: GO:0005975 ! carbohydrate metabolic process is_a: GO:0044281 ! small molecule metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35381 ! monosaccharide relationship: has_primary_input_or_output CHEBI:35381 ! monosaccharide [Term] id: GO:0006006 name: glucose metabolic process namespace: biological_process def: "The chemical reactions and pathways involving glucose, the aldohexose gluco-hexose. D-glucose is dextrorotatory and is sometimes known as dextrose; it is an important source of energy for living organisms and is found free as well as combined in homo- and hetero-oligosaccharides and polysaccharides." [ISBN:0198506732] synonym: "cellular glucose metabolic process" EXACT [GOC:vw] synonym: "glucose metabolism" EXACT [] is_a: GO:0019318 ! hexose metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17234 ! glucose relationship: has_primary_input_or_output CHEBI:17234 ! glucose [Term] id: GO:0006022 name: aminoglycan metabolic process namespace: biological_process def: "The chemical reactions and pathways involving aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages." [GOC:ai, ISBN:0198506732] synonym: "aminoglycan metabolism" EXACT [] is_a: GO:0043170 ! macromolecule metabolic process is_a: GO:1901135 ! carbohydrate derivative metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:22506 ! aminoglycan relationship: has_primary_input_or_output CHEBI:22506 ! aminoglycan [Term] id: GO:0006023 name: aminoglycan biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of aminoglycans, any polymer containing amino groups that consists of more than about 10 monosaccharide residues joined to each other by glycosidic linkages." [GOC:ai, ISBN:0198506732] synonym: "aminoglycan anabolism" EXACT [] synonym: "aminoglycan biosynthesis" EXACT [] synonym: "aminoglycan formation" EXACT [] synonym: "aminoglycan synthesis" EXACT [] is_a: GO:0006022 ! aminoglycan metabolic process is_a: GO:0009059 ! macromolecule biosynthetic process is_a: GO:1901137 ! carbohydrate derivative biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:22506 ! aminoglycan relationship: has_primary_output CHEBI:22506 ! aminoglycan [Term] id: GO:0006030 name: chitin metabolic process namespace: biological_process def: "The chemical reactions and pathways involving chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues." [GOC:jl, ISBN:0198506732] synonym: "beta-1,4-linked N-acetylglucosamine metabolic process" EXACT [] synonym: "beta-1,4-linked N-acetylglucosamine metabolism" EXACT [] synonym: "chitin metabolism" EXACT [] is_a: GO:0006022 ! aminoglycan metabolic process is_a: GO:1901071 ! glucosamine-containing compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17029 ! chitin relationship: has_primary_input_or_output CHEBI:17029 ! chitin [Term] id: GO:0006031 name: chitin biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues." [GOC:jl, ISBN:0198506732] synonym: "beta-1,4-linked N-acetylglucosamine biosynthesis" EXACT [] synonym: "beta-1,4-linked N-acetylglucosamine biosynthetic process" EXACT [] synonym: "chitin anabolism" EXACT [] synonym: "chitin biosynthesis" EXACT [] synonym: "chitin formation" EXACT [] synonym: "chitin synthesis" EXACT [] is_a: GO:0006023 ! aminoglycan biosynthetic process is_a: GO:0006030 ! chitin metabolic process is_a: GO:1901073 ! glucosamine-containing compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17029 ! chitin relationship: has_primary_output CHEBI:17029 ! chitin [Term] id: GO:0006040 name: amino sugar metabolic process namespace: biological_process def: "The chemical reactions and pathways involving any amino sugar, sugars containing an amino group in place of a hydroxyl group." [GOC:jl, ISBN:0192801023] synonym: "amino sugar metabolism" EXACT [] synonym: "aminosaccharide metabolic process" EXACT [] synonym: "aminosaccharide metabolism" EXACT [] is_a: GO:1901135 ! carbohydrate derivative metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:28963 ! amino sugar relationship: has_primary_input_or_output CHEBI:28963 ! amino sugar [Term] id: GO:0006066 name: alcohol metabolic process namespace: biological_process def: "The chemical reactions and pathways involving alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom." [ISBN:0198506732] subset: goslim_drosophila subset: goslim_pir synonym: "alcohol metabolism" EXACT [] is_a: GO:0044281 ! small molecule metabolic process is_a: GO:1901615 ! organic hydroxy compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:30879 ! alcohol relationship: has_primary_input_or_output CHEBI:30879 ! alcohol [Term] id: GO:0006081 name: cellular aldehyde metabolic process namespace: biological_process def: "The chemical reactions and pathways involving aldehydes, any organic compound with the formula R-CH=O, as carried out by individual cells." [GOC:go_curators, ISBN:0198506732] subset: goslim_pir synonym: "aldehyde metabolism" EXACT [] synonym: "alkanal metabolic process" EXACT [] synonym: "alkanal metabolism" EXACT [] is_a: GO:0044237 ! cellular metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17478 ! aldehyde relationship: has_primary_input_or_output CHEBI:17478 ! aldehyde [Term] id: GO:0006082 name: organic acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organic acids, any acidic compound containing carbon in covalent linkage." [ISBN:0198506732] subset: goslim_pir synonym: "organic acid metabolism" EXACT [] is_a: GO:0044237 ! cellular metabolic process is_a: GO:0044281 ! small molecule metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:64709 ! organic acid relationship: has_primary_input_or_output CHEBI:64709 ! organic acid [Term] id: GO:0006083 name: acetate metabolic process namespace: biological_process def: "The chemical reactions and pathways involving acetate, the anion of acetic acid." [GOC:go_curators] synonym: "acetate metabolism" EXACT [] is_a: GO:0032787 ! monocarboxylic acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:30089 ! acetate relationship: has_primary_input_or_output CHEBI:30089 ! acetate [Term] id: GO:0006094 name: gluconeogenesis namespace: biological_process def: "The formation of glucose from noncarbohydrate precursors, such as pyruvate, amino acids and glycerol." [MetaCyc:GLUCONEO-PWY] synonym: "glucose biosynthesis" EXACT [] synonym: "glucose biosynthetic process" EXACT [] xref: MetaCyc:GLUCONEO-PWY xref: Wikipedia:Gluconeogenesis is_a: GO:0006006 ! glucose metabolic process is_a: GO:0019319 ! hexose biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17234 ! glucose relationship: has_primary_output CHEBI:17234 ! glucose [Term] id: GO:0006139 name: nucleobase-containing compound metabolic process namespace: biological_process alt_id: GO:0055134 def: "Any cellular metabolic process involving nucleobases, nucleosides, nucleotides and nucleic acids." [GOC:ai] subset: goslim_pir subset: goslim_plant synonym: "cellular nucleobase, nucleoside, nucleotide and nucleic acid metabolic process" EXACT [] synonym: "cellular nucleobase, nucleoside, nucleotide and nucleic acid metabolism" EXACT [] synonym: "nucleobase, nucleoside and nucleotide metabolic process" RELATED [] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid metabolic process" RELATED [GOC:dph, GOC:tb] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid metabolism" EXACT [] is_a: GO:0006725 ! cellular aromatic compound metabolic process is_a: GO:0034641 ! cellular nitrogen compound metabolic process is_a: GO:0044238 ! primary metabolic process is_a: GO:0046483 ! heterocycle metabolic process is_a: GO:1901360 ! organic cyclic compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:61120 ! nucleobase-containing molecular entity relationship: has_primary_input_or_output CHEBI:61120 ! nucleobase-containing molecular entity [Term] id: GO:0006412 name: translation namespace: biological_process alt_id: GO:0006416 alt_id: GO:0006453 alt_id: GO:0043037 def: "The cellular metabolic process in which a protein is formed, using the sequence of a mature mRNA or circRNA molecule to specify the sequence of amino acids in a polypeptide chain. Translation is mediated by the ribosome, and begins with the formation of a ternary complex between aminoacylated initiator methionine tRNA, GTP, and initiation factor 2, which subsequently associates with the small subunit of the ribosome and an mRNA or circRNA. Translation ends with the release of a polypeptide chain from the ribosome." [GOC:go_curators] subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: prokaryote_subset synonym: "protein anabolism" EXACT [] synonym: "protein biosynthesis" EXACT [] synonym: "protein biosynthetic process" EXACT [] synonym: "protein formation" EXACT [] synonym: "protein synthesis" EXACT [] synonym: "protein translation" EXACT [] xref: Wikipedia:Translation_(genetics) is_a: GO:0019538 ! protein metabolic process is_a: GO:0034645 ! cellular macromolecule biosynthetic process is_a: GO:0043043 ! peptide biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:16541 ! protein polypeptide chain intersection_of: part_of GO:0010467 ! gene expression relationship: ends_with GO:0006415 ! translational termination relationship: has_part GO:0006414 ! translational elongation relationship: has_primary_output CHEBI:16541 ! protein polypeptide chain relationship: part_of GO:0010467 ! gene expression relationship: starts_with GO:0006413 ! translational initiation [Term] id: GO:0006413 name: translational initiation namespace: biological_process alt_id: GO:0006440 alt_id: GO:0006454 def: "The process preceding formation of the peptide bond between the first two amino acids of a protein. This includes the formation of a complex of the ribosome, mRNA or circRNA, and an initiation complex that contains the first aminoacyl-tRNA." [ISBN:019879276X] subset: goslim_yeast synonym: "biopolymerisation" BROAD [] synonym: "biopolymerization" BROAD [] synonym: "protein synthesis initiation" BROAD [] synonym: "translation initiation" EXACT [] is_a: GO:0044237 ! cellular metabolic process relationship: part_of GO:0006412 ! translation relationship: starts_with GO:0001677 ! formation of translation initiation ternary complex [Term] id: GO:0006414 name: translational elongation namespace: biological_process alt_id: GO:0006442 alt_id: GO:0006455 def: "The successive addition of amino acid residues to a nascent polypeptide chain during protein biosynthesis." [GOC:ems] subset: goslim_yeast synonym: "protein synthesis elongation" BROAD [] synonym: "translation elongation" EXACT [] is_a: GO:0034645 ! cellular macromolecule biosynthetic process relationship: part_of GO:0006412 ! translation [Term] id: GO:0006415 name: translational termination namespace: biological_process alt_id: GO:0006443 alt_id: GO:0006456 def: "The process resulting in the release of a polypeptide chain from the ribosome, usually in response to a termination codon (UAA, UAG, or UGA in the universal genetic code)." [GOC:hjd, ISBN:019879276X] synonym: "protein synthesis termination" BROAD [] synonym: "translation termination" EXACT [] synonym: "translational complex disassembly" EXACT [] is_a: GO:0032984 ! protein-containing complex disassembly relationship: part_of GO:0006412 ! translation [Term] id: GO:0006518 name: peptide metabolic process namespace: biological_process def: "The chemical reactions and pathways involving peptides, compounds of two or more amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another." [GOC:go_curators] subset: goslim_pir synonym: "peptide metabolism" EXACT [] is_a: GO:0043603 ! amide metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:16670 ! peptide relationship: has_primary_input_or_output CHEBI:16670 ! peptide [Term] id: GO:0006520 name: amino acid metabolic process namespace: biological_process alt_id: GO:0006519 def: "The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups." [ISBN:0198506732] subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_pir subset: goslim_pombe subset: goslim_yeast subset: prokaryote_subset synonym: "amino acid and derivative metabolism" RELATED [] synonym: "cellular amino acid and derivative metabolic process" RELATED [] synonym: "cellular amino acid metabolic process" EXACT [] synonym: "cellular amino acid metabolism" EXACT [] is_a: GO:0019752 ! carboxylic acid metabolic process is_a: GO:0044238 ! primary metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:37022 ! amino-acid anion relationship: has_primary_input_or_output CHEBI:37022 ! amino-acid anion property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/17904 xsd:anyURI [Term] id: GO:0006576 name: biogenic amine metabolic process namespace: biological_process def: "The chemical reactions and pathways occurring at the level of individual cells involving any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters." [GOC:jl, ISBN:0395825172] synonym: "biogenic amine metabolism" EXACT [] synonym: "cellular biogenic amine metabolic process" EXACT [] is_a: GO:0009308 ! amine metabolic process [Term] id: GO:0006584 name: catecholamine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine." [GOC:jl, ISBN:0198506732] synonym: "catecholamine metabolism" EXACT [] is_a: GO:0006576 ! biogenic amine metabolic process is_a: GO:0009712 ! catechol-containing compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33567 ! catecholamine relationship: has_primary_input_or_output CHEBI:33567 ! catecholamine [Term] id: GO:0006586 name: indolalkylamine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group." [GOC:curators] synonym: "indolalkylamine metabolism" EXACT [] synonym: "indolamine metabolic process" BROAD [] synonym: "indolamine metabolism" BROAD [] is_a: GO:0006576 ! biogenic amine metabolic process is_a: GO:0042430 ! indole-containing compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:38631 ! aminoalkylindole relationship: has_primary_input_or_output CHEBI:38631 ! aminoalkylindole [Term] id: GO:0006629 name: lipid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent. Includes fatty acids; neutral fats, other fatty-acid esters, and soaps; long-chain (fatty) alcohols and waxes; sphingoids and other long-chain bases; glycolipids, phospholipids and sphingolipids; and carotenes, polyprenols, sterols, terpenes and other isoprenoids." [GOC:ma] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_metagenomics subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_pombe subset: goslim_yeast subset: prokaryote_subset synonym: "lipid metabolism" EXACT [] xref: Wikipedia:Lipid_metabolism is_a: GO:0044238 ! primary metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:18059 ! lipid relationship: has_primary_input_or_output CHEBI:18059 ! lipid [Term] id: GO:0006631 name: fatty acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis." [ISBN:0198547684] synonym: "fatty acid metabolism" EXACT [] xref: Wikipedia:Fatty_acid_metabolism is_a: GO:0032787 ! monocarboxylic acid metabolic process is_a: GO:0044255 ! cellular lipid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:28868 ! fatty acid anion relationship: has_primary_input_or_output CHEBI:28868 ! fatty acid anion [Term] id: GO:0006633 name: fatty acid biosynthetic process namespace: biological_process alt_id: GO:0000037 def: "The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes." [GOC:mah, ISBN:0198506732] synonym: "fatty acid anabolism" EXACT [] synonym: "fatty acid biosynthesis" EXACT [] synonym: "fatty acid formation" EXACT [] synonym: "fatty acid synthesis" EXACT [] xref: MetaCyc:FASYN-INITIAL-PWY xref: MetaCyc:PWY-4381 xref: MetaCyc:PWY-5156 xref: Wikipedia:Fatty_acid_synthesis is_a: GO:0006631 ! fatty acid metabolic process is_a: GO:0008610 ! lipid biosynthetic process is_a: GO:0072330 ! monocarboxylic acid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:28868 ! fatty acid anion relationship: has_primary_output CHEBI:28868 ! fatty acid anion [Term] id: GO:0006694 name: steroid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus; includes de novo formation and steroid interconversion by modification." [GOC:go_curators] synonym: "steroid anabolism" EXACT [] synonym: "steroid biosynthesis" EXACT [] synonym: "steroid formation" EXACT [] synonym: "steroid synthesis" EXACT [] synonym: "steroidogenesis" EXACT [] xref: Wikipedia:Steroid_metabolisms#Steroid_biosynthesis is_a: GO:0008202 ! steroid metabolic process is_a: GO:0008610 ! lipid biosynthetic process is_a: GO:1901362 ! organic cyclic compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:35341 ! steroid relationship: has_primary_output CHEBI:35341 ! steroid [Term] id: GO:0006700 name: C21-steroid hormone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones." [GOC:ai] synonym: "C21-steroid hormone anabolism" EXACT [] synonym: "C21-steroid hormone biosynthesis" EXACT [] synonym: "C21-steroid hormone formation" EXACT [] synonym: "C21-steroid hormone synthesis" EXACT [] is_a: GO:0008207 ! C21-steroid hormone metabolic process is_a: GO:0042446 ! hormone biosynthetic process is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:0120178 ! steroid hormone biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:64600 ! C21-steroid hormone relationship: has_primary_output CHEBI:64600 ! C21-steroid hormone [Term] id: GO:0006701 name: progesterone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants." [GOC:jl, http://www.cogsci.princeton.edu/] synonym: "progesterone anabolism" EXACT [] synonym: "progesterone biosynthesis" EXACT [] synonym: "progesterone formation" EXACT [] synonym: "progesterone synthesis" EXACT [] is_a: GO:0006700 ! C21-steroid hormone biosynthetic process is_a: GO:0042181 ! ketone biosynthetic process is_a: GO:0042448 ! progesterone metabolic process is_a: GO:0120255 ! olefinic compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17026 ! progesterone relationship: has_primary_output CHEBI:17026 ! progesterone [Term] id: GO:0006704 name: glucocorticoid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol." [ISBN:0198506732] synonym: "glucocorticoid anabolism" EXACT [] synonym: "glucocorticoid biosynthesis" EXACT [] synonym: "glucocorticoid formation" EXACT [] synonym: "glucocorticoid synthesis" EXACT [] is_a: GO:0008211 ! glucocorticoid metabolic process is_a: GO:0120178 ! steroid hormone biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:24261 ! glucocorticoid relationship: has_primary_output CHEBI:24261 ! glucocorticoid [Term] id: GO:0006705 name: mineralocorticoid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol." [ISBN:0198506732] synonym: "mineralocorticoid anabolism" EXACT [] synonym: "mineralocorticoid biosynthesis" EXACT [] synonym: "mineralocorticoid formation" EXACT [] synonym: "mineralocorticoid synthesis" EXACT [] is_a: GO:0008212 ! mineralocorticoid metabolic process is_a: GO:0042446 ! hormone biosynthetic process is_a: GO:0120178 ! steroid hormone biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:25354 ! mineralocorticoid relationship: has_primary_output CHEBI:25354 ! mineralocorticoid [Term] id: GO:0006720 name: isoprenoid metabolic process namespace: biological_process alt_id: GO:0016096 def: "The chemical reactions and pathways involving isoprenoid compounds, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues." [ISBN:0198547684] synonym: "isoprenoid metabolism" EXACT [] synonym: "polyisoprenoid metabolic process" NARROW [] synonym: "polyisoprenoid metabolism" NARROW [] synonym: "polyterpene metabolic process" NARROW [] synonym: "polyterpene metabolism" NARROW [] is_a: GO:0044255 ! cellular lipid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24913 ! isoprenoid relationship: has_primary_input_or_output CHEBI:24913 ! isoprenoid [Term] id: GO:0006721 name: terpenoid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure and including derivatives with various functional groups." [ISBN:0198506732] synonym: "terpenoid metabolism" EXACT [] is_a: GO:0006720 ! isoprenoid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:26873 ! terpenoid relationship: has_primary_input_or_output CHEBI:26873 ! terpenoid [Term] id: GO:0006725 name: cellular aromatic compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving aromatic compounds, any organic compound characterized by one or more planar rings, each of which contains conjugated double bonds and delocalized pi electrons, as carried out by individual cells." [GOC:ai, ISBN:0198506732] subset: goslim_pir synonym: "aromatic compound metabolism" EXACT [] synonym: "aromatic hydrocarbon metabolic process" NARROW [] synonym: "aromatic hydrocarbon metabolism" NARROW [] is_a: GO:0044237 ! cellular metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33655 ! aromatic compound relationship: has_primary_input_or_output CHEBI:33655 ! aromatic compound [Term] id: GO:0006790 name: sulfur compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving the nonmetallic element sulfur or compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione." [GOC:ai] subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_pir subset: goslim_pombe subset: prokaryote_subset synonym: "sulfur metabolism" EXACT [] synonym: "sulphur metabolic process" EXACT [] synonym: "sulphur metabolism" EXACT [] xref: Wikipedia:Sulfur_metabolism is_a: GO:0044237 ! cellular metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:26835 ! sulfur molecular entity relationship: has_primary_input_or_output CHEBI:26835 ! sulfur molecular entity [Term] id: GO:0006793 name: phosphorus metabolic process namespace: biological_process def: "The chemical reactions and pathways involving the nonmetallic element phosphorus or compounds that contain phosphorus, usually in the form of a phosphate group (PO4)." [GOC:ai] subset: goslim_pir synonym: "phosphorus metabolism" EXACT [] is_a: GO:0044237 ! cellular metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:26082 ! phosphorus molecular entity relationship: has_primary_input_or_output CHEBI:26082 ! phosphorus molecular entity [Term] id: GO:0006796 name: phosphate-containing compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving the phosphate group, the anion or salt of any phosphoric acid." [GOC:ai] synonym: "phosphate metabolic process" RELATED [] synonym: "phosphate metabolism" EXACT [] is_a: GO:0006793 ! phosphorus metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:26020 ! phosphate relationship: has_primary_input_or_output CHEBI:26020 ! phosphate [Term] id: GO:0006807 name: nitrogen compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organic or inorganic compounds that contain nitrogen." [GOC:jl, ISBN:0198506732] subset: goslim_metagenomics subset: goslim_pir synonym: "nitrogen compound metabolism" EXACT [] is_a: GO:0008152 ! metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:51143 ! nitrogen molecular entity relationship: has_primary_input_or_output CHEBI:51143 ! nitrogen molecular entity [Term] id: GO:0006996 name: organelle organization namespace: biological_process alt_id: GO:1902589 def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of an organelle within a cell. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane." [GOC:mah] subset: goslim_candida subset: goslim_pir synonym: "organelle organisation" EXACT [] synonym: "organelle organization and biogenesis" RELATED [GOC:dph, GOC:jl, GOC:mah] synonym: "single organism organelle organization" EXACT [GOC:TermGenie] synonym: "single-organism organelle organization" RELATED [] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0043226 ! organelle relationship: results_in_organization_of GO:0043226 ! organelle created_by: jl creation_date: 2013-12-19T15:25:51Z [Term] id: GO:0006997 name: nucleus organization namespace: biological_process alt_id: GO:0048287 def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nucleus." [GOC:dph, GOC:ems, GOC:jl, GOC:mah] subset: goslim_candida subset: goslim_drosophila subset: goslim_pir subset: goslim_yeast synonym: "nuclear morphology" RELATED [] synonym: "nuclear organisation" EXACT [] synonym: "nuclear organization" EXACT [] synonym: "nuclear organization and biogenesis" RELATED [GOC:mah] synonym: "nucleus organization and biogenesis" RELATED [GOC:mah] is_a: GO:0006996 ! organelle organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0005634 ! nucleus relationship: results_in_organization_of GO:0005634 ! nucleus [Term] id: GO:0006998 name: nuclear envelope organization namespace: biological_process def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear envelope." [GOC:dph, GOC:ems, GOC:jl, GOC:mah] synonym: "nuclear envelope organisation" EXACT [GOC:mah] synonym: "nuclear envelope organization and biogenesis" RELATED [GOC:mah] is_a: GO:0061024 ! membrane organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0005635 ! nuclear envelope relationship: part_of GO:0006997 ! nucleus organization relationship: part_of GO:0010256 ! endomembrane system organization relationship: results_in_organization_of GO:0005635 ! nuclear envelope [Term] id: GO:0007009 name: plasma membrane organization namespace: biological_process def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the plasma membrane." [GOC:dph, GOC:jl, GOC:mah] subset: goslim_chembl synonym: "plasma membrane organisation" EXACT [] synonym: "plasma membrane organization and biogenesis" RELATED [GOC:mah] is_a: GO:0061024 ! membrane organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0005886 ! plasma membrane relationship: part_of GO:0010256 ! endomembrane system organization relationship: results_in_organization_of GO:0005886 ! plasma membrane [Term] id: GO:0007028 name: cytoplasm organization namespace: biological_process def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the cytoplasm. The cytoplasm is all of the contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures." [GOC:curators, GOC:dph, GOC:jl, GOC:mah] subset: goslim_pir synonym: "cytoplasm organisation" EXACT [] synonym: "cytoplasm organization and biogenesis" RELATED [GOC:mah] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0005737 ! cytoplasm relationship: results_in_organization_of GO:0005737 ! cytoplasm [Term] id: GO:0007033 name: vacuole organization namespace: biological_process alt_id: GO:0044086 def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of a vacuole." [GOC:mah] subset: goslim_drosophila subset: goslim_pir subset: goslim_yeast synonym: "vacuolar assembly" NARROW [GOC:mah] synonym: "vacuole biogenesis" RELATED [GOC:mah] synonym: "vacuole organisation" EXACT [] synonym: "vacuole organization and biogenesis" RELATED [GOC:mah] is_a: GO:0006996 ! organelle organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0005773 ! vacuole relationship: results_in_organization_of GO:0005773 ! vacuole [Term] id: GO:0007610 name: behavior namespace: biological_process alt_id: GO:0023032 alt_id: GO:0044708 alt_id: GO:0044709 def: "The internally coordinated responses (actions or inactions) of animals (individuals or groups) to internal or external stimuli, via a mechanism that involves nervous system activity." [GOC:ems, GOC:jl, ISBN:0395448956, PMID:20160973] comment: 1. Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation reviews.\n2. While a broader definition of behavior encompassing plants and single cell organisms would be justified on the basis of some usage (see PMID:20160973 for discussion), GO uses a tight definition that limits behavior to animals and to responses involving the nervous system, excluding plant responses that GO classifies under development, and responses of unicellular organisms that has general classifications for covering the responses of cells in multicellular organisms (e.g. cell chemotaxis). subset: gocheck_do_not_manually_annotate subset: goslim_agr subset: goslim_flybase_ribbon synonym: "behavioral response to stimulus" EXACT [] synonym: "behaviour" EXACT [] synonym: "behavioural response to stimulus" EXACT [] synonym: "single-organism behavior" RELATED [] xref: Wikipedia:Behavior is_a: GO:0032501 ! multicellular organismal process is_a: GO:0050896 ! response to stimulus property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl created_by: jl creation_date: 2012-09-20T14:06:08Z [Term] id: GO:0007631 name: feeding behavior namespace: biological_process alt_id: GO:0044366 alt_id: GO:0044367 alt_id: GO:0044368 alt_id: GO:0044369 alt_id: GO:0044370 alt_id: GO:0044371 alt_id: GO:0044372 def: "Behavior associated with the intake of food." [GOC:mah] comment: See also the biological process term 'behavior ; GO:0007610'. synonym: "behavioral response to food" EXACT [] synonym: "behavioural response to food" EXACT [] synonym: "eating" NARROW [] synonym: "feeding behaviour" EXACT [] synonym: "feeding from phloem of other organism" NARROW [] synonym: "feeding from plant phloem" NARROW [] synonym: "feeding from tissue of other organism" NARROW [] synonym: "feeding from vascular tissue of another organism" NARROW [] synonym: "feeding from xylem of other organism" NARROW [] synonym: "feeding on blood of other organism" NARROW [] synonym: "feeding on or from other organism" NARROW [] synonym: "feeding on plant sap" NARROW [] synonym: "hematophagy" NARROW [] synonym: "injection of substance into other organism during feeding on blood of other organism" NARROW [] synonym: "taking of blood meal" NARROW [] xref: Wikipedia:List_of_feeding_behaviours is_a: GO:0007610 ! behavior property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/18547 xsd:anyURI property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl created_by: jl creation_date: 2011-10-27T03:53:33Z [Term] id: GO:0008047 name: enzyme activator activity namespace: molecular_function alt_id: GO:0010577 def: "Binds to and increases the activity of an enzyme." [GOC:dph, GOC:mah, GOC:tb] comment: This term should only be used in cases when the regulator directly interacts with the enzyme. synonym: "metalloenzyme activator activity" NARROW [] is_a: GO:0030234 ! enzyme regulator activity is_a: GO:0140677 ! molecular function activator activity intersection_of: GO:0140677 ! molecular function activator activity intersection_of: positively_regulates GO:0003824 ! catalytic activity relationship: positively_regulates GO:0003824 ! catalytic activity [Term] id: GO:0008061 name: chitin binding namespace: molecular_function def: "Binding to chitin, a linear polysaccharide consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues." [GOC:jl, ISBN:0198506732] subset: goslim_drosophila is_a: GO:0097367 ! carbohydrate derivative binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:17029 ! chitin relationship: has_input CHEBI:17029 ! chitin [Term] id: GO:0008150 name: biological_process namespace: biological_process alt_id: GO:0000004 alt_id: GO:0007582 alt_id: GO:0044699 def: "A biological process represents a specific objective that the organism is genetically programmed to achieve. Biological processes are often described by their outcome or ending state, e.g., the biological process of cell division results in the creation of two daughter cells (a divided cell) from a single parent cell. A biological process is accomplished by a particular set of molecular functions carried out by specific gene products (or macromolecular complexes), often in a highly regulated manner and in a particular temporal sequence." [GOC:pdt] comment: Note that, in addition to forming the root of the biological process ontology, this term is recommended for use for the annotation of gene products whose biological process is unknown. When this term is used for annotation, it indicates that no information was available about the biological process of the gene product annotated as of the date the annotation was made; the evidence code 'no data' (ND), is used to indicate this. subset: goslim_aspergillus subset: goslim_candida subset: goslim_chembl subset: goslim_generic subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_pombe subset: goslim_yeast synonym: "biological process" EXACT [] synonym: "physiological process" EXACT [] synonym: "single organism process" RELATED [] synonym: "single-organism process" RELATED [] xref: Wikipedia:Biological_process is_a: BFO:0000015 ! process property_value: IAO:0000412 http://purl.obolibrary.org/obo/ecocore.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl created_by: jl creation_date: 2012-09-19T15:05:24Z [Term] id: GO:0008152 name: metabolic process namespace: biological_process alt_id: GO:0044236 alt_id: GO:0044710 def: "The chemical reactions and pathways, including anabolism and catabolism, by which living organisms transform chemical substances. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation." [GOC:go_curators, ISBN:0198547684] comment: Note that metabolic processes do not include single functions or processes such as protein-protein interactions, protein-nucleic acids, nor receptor-ligand interactions. subset: gocheck_do_not_manually_annotate subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant synonym: "metabolic process resulting in cell growth" NARROW [] synonym: "metabolism" EXACT [] synonym: "metabolism resulting in cell growth" NARROW [] synonym: "multicellular organism metabolic process" NARROW [] synonym: "single-organism metabolic process" RELATED [] xref: Wikipedia:Metabolism is_a: GO:0008150 ! biological_process created_by: jl creation_date: 2012-10-17T15:46:40Z [Term] id: GO:0008202 name: steroid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving steroids, compounds with a 1,2,cyclopentanoperhydrophenanthrene nucleus." [ISBN:0198547684] synonym: "steroid metabolism" EXACT [] xref: Wikipedia:Steroid_metabolism is_a: GO:0006629 ! lipid metabolic process is_a: GO:1901360 ! organic cyclic compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35341 ! steroid relationship: has_primary_input_or_output CHEBI:35341 ! steroid [Term] id: GO:0008207 name: C21-steroid hormone metabolic process namespace: biological_process def: "The chemical reactions and pathways involving C21-steroid hormones, steroid compounds containing 21 carbons which function as hormones." [GOC:ai] synonym: "C21-steroid hormone metabolism" EXACT [] is_a: GO:0008202 ! steroid metabolic process is_a: GO:0009987 ! cellular process is_a: GO:0042445 ! hormone metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:64600 ! C21-steroid hormone relationship: has_primary_input_or_output CHEBI:64600 ! C21-steroid hormone [Term] id: GO:0008211 name: glucocorticoid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving glucocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Glucocorticoids act primarily on carbohydrate and protein metabolism, and have anti-inflammatory effects." [ISBN:0198506732] synonym: "glucocorticoid metabolism" EXACT [] synonym: "glucocorticosteroid metabolic process" EXACT [] synonym: "glucocorticosteroid metabolism" EXACT [] is_a: GO:0008202 ! steroid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24261 ! glucocorticoid relationship: has_primary_input_or_output CHEBI:24261 ! glucocorticoid [Term] id: GO:0008212 name: mineralocorticoid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving mineralocorticoids, hormonal C21 corticosteroids synthesized from cholesterol. Mineralocorticoids act primarily on water and electrolyte balance." [ISBN:0198506732] synonym: "mineralocorticoid metabolism" EXACT [] is_a: GO:0008202 ! steroid metabolic process is_a: GO:0009987 ! cellular process is_a: GO:0042445 ! hormone metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:25354 ! mineralocorticoid relationship: has_primary_input_or_output CHEBI:25354 ! mineralocorticoid [Term] id: GO:0008289 name: lipid binding namespace: molecular_function def: "Binding to a lipid." [GOC:ai] subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_generic subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_yeast subset: prokaryote_subset is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:18059 ! lipid relationship: has_input CHEBI:18059 ! lipid [Term] id: GO:0008291 name: acetylcholine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving acetylcholine, the acetic acid ester of the organic base choline. Acetylcholine is a major neurotransmitter and neuromodulator both in the central and peripheral nervous systems. It also acts as a paracrine signal in various non-neural tissues." [GOC:jl, GOC:nln, ISBN:0192800752] synonym: "acetylcholine metabolism" EXACT [] is_a: GO:0006807 ! nitrogen compound metabolic process is_a: GO:0042133 ! neurotransmitter metabolic process is_a: GO:1900619 ! acetate ester metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:15355 ! acetylcholine relationship: has_primary_input_or_output CHEBI:15355 ! acetylcholine [Term] id: GO:0008292 name: acetylcholine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of acetylcholine, the acetic acid ester of the organic base choline." [GOC:jl, ISBN:0192800752] synonym: "acetylcholine anabolism" EXACT [] synonym: "acetylcholine biosynthesis" EXACT [] synonym: "acetylcholine formation" EXACT [] synonym: "acetylcholine synthesis" EXACT [] is_a: GO:0008291 ! acetylcholine metabolic process is_a: GO:0042136 ! neurotransmitter biosynthetic process is_a: GO:1900620 ! acetate ester biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:15355 ! acetylcholine relationship: has_primary_output CHEBI:15355 ! acetylcholine [Term] id: GO:0008299 name: isoprenoid biosynthetic process namespace: biological_process alt_id: GO:0009241 def: "The chemical reactions and pathways resulting in the formation of an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues." [ISBN:0198506732] synonym: "isoprenoid anabolism" EXACT [] synonym: "isoprenoid biosynthesis" EXACT [] synonym: "isoprenoid formation" EXACT [] synonym: "isoprenoid synthesis" EXACT [] synonym: "polyisoprenoid anabolism" NARROW [] synonym: "polyisoprenoid biosynthesis" NARROW [] synonym: "polyisoprenoid biosynthetic process" NARROW [] synonym: "polyisoprenoid formation" NARROW [] synonym: "polyisoprenoid synthesis" NARROW [] synonym: "polyterpene biosynthesis" NARROW [] synonym: "polyterpene biosynthetic process" NARROW [] xref: MetaCyc:POLYISOPRENSYN-PWY is_a: GO:0006720 ! isoprenoid metabolic process is_a: GO:0008610 ! lipid biosynthetic process is_a: GO:0044249 ! cellular biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:24913 ! isoprenoid relationship: has_primary_output CHEBI:24913 ! isoprenoid [Term] id: GO:0008610 name: lipid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent." [GOC:go_curators] synonym: "lipid anabolism" EXACT [] synonym: "lipid biosynthesis" EXACT [] synonym: "lipid formation" EXACT [] synonym: "lipid synthesis" EXACT [] synonym: "lipogenesis" EXACT [GOC:sl] is_a: GO:0006629 ! lipid metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:18059 ! lipid relationship: has_primary_output CHEBI:18059 ! lipid [Term] id: GO:0008652 name: amino acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of amino acids, organic acids containing one or more amino substituents." [ISBN:0198506732] synonym: "amino acid anabolism" EXACT [] synonym: "amino acid biosynthesis" EXACT [] synonym: "amino acid formation" EXACT [] synonym: "amino acid synthesis" EXACT [] synonym: "cellular amino acid biosynthetic process" EXACT [] xref: Wikipedia:Amino_acid_synthesis is_a: GO:0006520 ! amino acid metabolic process is_a: GO:0046394 ! carboxylic acid biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:37022 ! amino-acid anion relationship: has_primary_output CHEBI:37022 ! amino-acid anion property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/17904 xsd:anyURI [Term] id: GO:0009058 name: biosynthetic process namespace: biological_process alt_id: GO:0044274 alt_id: GO:0044711 def: "The chemical reactions and pathways resulting in the formation of substances; typically the energy-requiring part of metabolism in which simpler substances are transformed into more complex ones." [GOC:curators, ISBN:0198547684] subset: goslim_chembl subset: goslim_metagenomics subset: goslim_plant synonym: "anabolism" EXACT [] synonym: "biosynthesis" EXACT [] synonym: "formation" BROAD [] synonym: "multicellular organismal biosynthetic process" NARROW [] synonym: "single-organism biosynthetic process" RELATED [] synonym: "synthesis" EXACT [] xref: Wikipedia:Anabolism is_a: GO:0008152 ! metabolic process created_by: jl creation_date: 2012-10-17T15:52:18Z [Term] id: GO:0009059 name: macromolecule biosynthetic process namespace: biological_process alt_id: GO:0043284 def: "The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." [GOC:mah] subset: goslim_pir synonym: "biopolymer biosynthetic process" EXACT [GOC:mtg_chebi_dec09] synonym: "macromolecule anabolism" EXACT [] synonym: "macromolecule biosynthesis" EXACT [] synonym: "macromolecule formation" EXACT [] synonym: "macromolecule synthesis" EXACT [] is_a: GO:0043170 ! macromolecule metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33694 ! biomacromolecule relationship: has_primary_output CHEBI:33694 ! biomacromolecule [Term] id: GO:0009100 name: glycoprotein metabolic process namespace: biological_process def: "The chemical reactions and pathways involving glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide." [GOC:go_curators, ISBN:0198506732] subset: goslim_drosophila synonym: "glycoprotein metabolism" EXACT [] is_a: GO:0019538 ! protein metabolic process is_a: GO:0044260 ! cellular macromolecule metabolic process is_a: GO:1901135 ! carbohydrate derivative metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17089 ! glycoprotein relationship: has_primary_input_or_output CHEBI:17089 ! glycoprotein [Term] id: GO:0009101 name: glycoprotein biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of glycoproteins, a protein that contains covalently bound glycose (i.e. monosaccharide) residues; the glycose occurs most commonly as oligosaccharide or fairly small polysaccharide but occasionally as monosaccharide." [GOC:go_curators, ISBN:0198506732] synonym: "glycoprotein anabolism" EXACT [] synonym: "glycoprotein biosynthesis" EXACT [] synonym: "glycoprotein formation" EXACT [] synonym: "glycoprotein synthesis" EXACT [] is_a: GO:0009100 ! glycoprotein metabolic process is_a: GO:0034645 ! cellular macromolecule biosynthetic process is_a: GO:1901137 ! carbohydrate derivative biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17089 ! glycoprotein relationship: has_primary_output CHEBI:17089 ! glycoprotein [Term] id: GO:0009112 name: nucleobase metabolic process namespace: biological_process def: "The chemical reactions and pathways involving a nucleobase, a nitrogenous base that is a constituent of a nucleic acid, e.g. the purines: adenine, guanine, hypoxanthine, xanthine and the pyrimidines: cytosine, uracil, thymine." [GOC:ma] synonym: "nucleobase metabolism" EXACT [] is_a: GO:0055086 ! nucleobase-containing small molecule metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:18282 ! nucleobase relationship: has_primary_input_or_output CHEBI:18282 ! nucleobase [Term] id: GO:0009308 name: amine metabolic process namespace: biological_process alt_id: GO:0044106 def: "The chemical reactions and pathways involving any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom." [GOC:jl, ISBN:0198506732] subset: goslim_chembl subset: goslim_pir synonym: "amine metabolism" EXACT [] synonym: "cellular amine metabolic process" EXACT [] is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:32952 ! amine relationship: has_primary_input_or_output CHEBI:32952 ! amine created_by: jl creation_date: 2009-07-15T11:55:44Z [Term] id: GO:0009309 name: amine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any organic compound that is weakly basic in character and contains an amino or a substituted amino group. Amines are called primary, secondary, or tertiary according to whether one, two, or three carbon atoms are attached to the nitrogen atom." [GOC:jl, ISBN:0198506732] synonym: "amine anabolism" EXACT [] synonym: "amine biosynthesis" EXACT [] synonym: "amine formation" EXACT [] synonym: "amine synthesis" EXACT [] is_a: GO:0009308 ! amine metabolic process is_a: GO:0044271 ! cellular nitrogen compound biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:32952 ! amine relationship: has_primary_output CHEBI:32952 ! amine [Term] id: GO:0009712 name: catechol-containing compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving a compound containing a pyrocatechol (1,2-benzenediol) nucleus or substituent." [GOC:sm, ISBN:0198547684] synonym: "catechol metabolic process" RELATED [] synonym: "catechol metabolism" RELATED [] is_a: GO:0018958 ! phenol-containing compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33566 ! catechols relationship: has_primary_input_or_output CHEBI:33566 ! catechols [Term] id: GO:0009713 name: catechol-containing compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of catechol-containing compounds. Catechol is a compound containing a pyrocatechol nucleus or substituent." [GOC:go_curators] synonym: "catechol anabolism" RELATED [] synonym: "catechol biosynthesis" RELATED [] synonym: "catechol biosynthetic process" RELATED [] synonym: "catechol formation" RELATED [] synonym: "catechol synthesis" RELATED [] is_a: GO:0009712 ! catechol-containing compound metabolic process is_a: GO:0046189 ! phenol-containing compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33566 ! catechols relationship: has_primary_output CHEBI:33566 ! catechols [Term] id: GO:0009820 name: alkaloid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving alkaloids, nitrogen containing natural products which are not otherwise classified as peptides, nonprotein amino acids, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones or primary metabolites (such as purine or pyrimidine bases)." [GOC:lr, ISBN:0122146743] subset: goslim_chembl synonym: "alkaloid metabolism" EXACT [] is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:22315 ! alkaloid relationship: has_primary_input_or_output CHEBI:22315 ! alkaloid [Term] id: GO:0009821 name: alkaloid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of alkaloids, nitrogen-containing natural products which are not otherwise classified as nonprotein amino acids, amines, peptides, amines, cyanogenic glycosides, glucosinolates, cofactors, phytohormones, or primary metabolite (such as purine or pyrimidine bases)." [GOC:lr, ISBN:0122146743] synonym: "alkaloid anabolism" EXACT [] synonym: "alkaloid biosynthesis" EXACT [] synonym: "alkaloid formation" EXACT [] synonym: "alkaloid synthesis" EXACT [] xref: UM-BBD_enzymeID:e0711 is_a: GO:0009820 ! alkaloid metabolic process is_a: GO:0044550 ! secondary metabolite biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:22315 ! alkaloid relationship: has_primary_output CHEBI:22315 ! alkaloid [Term] id: GO:0009987 name: cellular process namespace: biological_process alt_id: GO:0008151 alt_id: GO:0044763 alt_id: GO:0050875 def: "Any process that is carried out at the cellular level, but not necessarily restricted to a single cell. For example, cell communication occurs among more than one cell, but occurs at the cellular level." [GOC:go_curators, GOC:isa_complete] subset: gocheck_do_not_annotate subset: goslim_plant synonym: "cell growth and/or maintenance" NARROW [] synonym: "cell physiology" EXACT [] synonym: "cellular physiological process" EXACT [] synonym: "single-organism cellular process" RELATED [] is_a: GO:0008150 ! biological_process created_by: jl creation_date: 2012-12-11T16:56:55Z [Term] id: GO:0010256 name: endomembrane system organization namespace: biological_process def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the endomembrane system." [GOC:mah, GOC:sm] subset: goslim_drosophila synonym: "endomembrane organization" EXACT [] synonym: "endomembrane system organisation" EXACT [GOC:mah] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0012505 ! endomembrane system relationship: results_in_organization_of GO:0012505 ! endomembrane system [Term] id: GO:0010467 name: gene expression namespace: biological_process def: "The process in which a gene's sequence is converted into a mature gene product (protein or RNA). This includes the production of an RNA transcript and its processing, translation and maturation for protein-coding genes." [GOC:txnOH-2018, PMID:25934543, PMID:31580950] subset: goslim_flybase_ribbon xref: Wikipedia:Gene_expression is_a: GO:0043170 ! macromolecule metabolic process property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/22557 xsd:anyURI [Term] id: GO:0010817 name: regulation of hormone levels namespace: biological_process def: "Any process that modulates the levels of hormone within an organism or a tissue. A hormone is any substance formed in very small amounts in one specialized organ or group of cells and carried (sometimes in the bloodstream) to another organ or group of cells in the same organism, upon which it has a specific regulatory action." [GOC:BHF, GOC:dph, GOC:tb] [Term] id: GO:0012505 name: endomembrane system namespace: cellular_component def: "A collection of membranous structures involved in transport within the cell. The main components of the endomembrane system are endoplasmic reticulum, Golgi bodies, vesicles, cell membrane and nuclear envelope. Members of the endomembrane system pass materials through each other or though the use of vesicles." [GOC:lh] subset: goslim_candida subset: goslim_flybase_ribbon subset: goslim_yeast xref: Wikipedia:Endomembrane_system is_a: GO:0110165 ! cellular anatomical entity relationship: has_part GO:0005773 ! vacuole relationship: has_part GO:0005886 ! plasma membrane relationship: part_of CL:0000000 ! cell [Term] id: GO:0015942 name: formate metabolic process namespace: biological_process def: "The chemical reactions and pathways involving formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid." [ISBN:0198506732] synonym: "formate metabolism" EXACT [] is_a: GO:0032787 ! monocarboxylic acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:15740 ! formate relationship: has_primary_input_or_output CHEBI:15740 ! formate [Term] id: GO:0015943 name: formate biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of formate, also known as methanoate, the anion HCOO- derived from methanoic (formic) acid." [ISBN:0198506732] synonym: "formate anabolism" EXACT [] synonym: "formate biosynthesis" EXACT [] synonym: "formate formation" EXACT [] synonym: "formate synthesis" EXACT [] synonym: "formic acid biosynthesis" EXACT [] synonym: "formic acid biosynthetic process" EXACT [] is_a: GO:0015942 ! formate metabolic process is_a: GO:0072330 ! monocarboxylic acid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:15740 ! formate relationship: has_primary_output CHEBI:15740 ! formate [Term] id: GO:0016020 name: membrane namespace: cellular_component alt_id: GO:0016021 alt_id: GO:0098589 alt_id: GO:0098805 def: "A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it." [GOC:dos, GOC:mah, ISBN:0815316194] subset: goslim_candida subset: goslim_chembl subset: goslim_flybase_ribbon subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "integral component of membrane" NARROW [] synonym: "integral to membrane" NARROW [] synonym: "membrane region" NARROW [] synonym: "region of membrane" NARROW [] synonym: "transmembrane" RELATED [GOC:mah] synonym: "whole membrane" NARROW [] xref: Wikipedia:Biological_membrane xref: Wikipedia:Transmembrane_protein is_a: CARO:0000003 ! anatomical structure is_a: GO:0110165 ! cellular anatomical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl creation_date: 2014-03-06T11:37:54Z [Term] id: GO:0016043 name: cellular component organization namespace: biological_process alt_id: GO:0044235 alt_id: GO:0071842 def: "A process that results in the assembly, arrangement of constituent parts, or disassembly of a cellular component." [GOC:ai, GOC:jl, GOC:mah] subset: goslim_agr subset: goslim_mouse subset: goslim_pir subset: goslim_plant synonym: "cell organisation" EXACT [] synonym: "cell organization and biogenesis" RELATED [GOC:mah] synonym: "cellular component organisation at cellular level" EXACT [GOC:mah] synonym: "cellular component organisation in other organism" EXACT [GOC:mah] synonym: "cellular component organization at cellular level" EXACT [] synonym: "cellular component organization in other organism" EXACT [] is_a: GO:0071840 ! cellular component organization or biogenesis intersection_of: GO:0009987 ! cellular process intersection_of: results_in_organization_of GO:0005575 ! cellular_component relationship: results_in_organization_of GO:0005575 ! cellular_component [Term] id: GO:0016051 name: carbohydrate biosynthetic process namespace: biological_process alt_id: GO:0006093 def: "The chemical reactions and pathways resulting in the formation of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y." [ISBN:0198506732] synonym: "anabolic carbohydrate metabolic process" EXACT [] synonym: "anabolic carbohydrate metabolism" EXACT [] synonym: "carbohydrate anabolism" EXACT [] synonym: "carbohydrate biosynthesis" EXACT [] synonym: "carbohydrate formation" EXACT [] synonym: "carbohydrate synthesis" EXACT [] is_a: GO:0005975 ! carbohydrate metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:16646 ! carbohydrate relationship: has_primary_output CHEBI:16646 ! carbohydrate [Term] id: GO:0016053 name: organic acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of organic acids, any acidic compound containing carbon in covalent linkage." [ISBN:0198506732] synonym: "organic acid anabolism" EXACT [] synonym: "organic acid biosynthesis" EXACT [] synonym: "organic acid formation" EXACT [] synonym: "organic acid synthesis" EXACT [] is_a: GO:0006082 ! organic acid metabolic process is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:0044283 ! small molecule biosynthetic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:64709 ! organic acid relationship: has_primary_output CHEBI:64709 ! organic acid [Term] id: GO:0016070 name: RNA metabolic process namespace: biological_process def: "The cellular chemical reactions and pathways involving RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage." [ISBN:0198506732] subset: goslim_agr subset: goslim_candida subset: goslim_metagenomics subset: goslim_pir subset: prokaryote_subset synonym: "RNA metabolism" EXACT [] is_a: GO:0090304 ! nucleic acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33697 ! ribonucleic acid relationship: has_primary_input_or_output CHEBI:33697 ! ribonucleic acid [Term] id: GO:0016108 name: tetraterpenoid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving tetraterpenoid compounds, terpenoids with eight isoprene units." [ISBN:0198547684] synonym: "tetraterpene metabolic process" NARROW [] synonym: "tetraterpene metabolism" NARROW [] synonym: "tetraterpenoid metabolism" EXACT [] is_a: GO:0006721 ! terpenoid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:26935 ! tetraterpenoid relationship: has_primary_input_or_output CHEBI:26935 ! tetraterpenoid [Term] id: GO:0016109 name: tetraterpenoid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of tetraterpenoid compounds, terpenoids with eight isoprene units." [GOC:go_curators] synonym: "tetraterpene biosynthesis" NARROW [] synonym: "tetraterpene biosynthetic process" NARROW [] synonym: "tetraterpenoid anabolism" EXACT [] synonym: "tetraterpenoid biosynthesis" EXACT [] synonym: "tetraterpenoid formation" EXACT [] synonym: "tetraterpenoid synthesis" EXACT [] is_a: GO:0016108 ! tetraterpenoid metabolic process is_a: GO:0016114 ! terpenoid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:26935 ! tetraterpenoid relationship: has_primary_output CHEBI:26935 ! tetraterpenoid [Term] id: GO:0016114 name: terpenoid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of terpenoids, any member of a class of compounds characterized by an isoprenoid chemical structure." [GOC:ai] synonym: "terpenoid anabolism" EXACT [] synonym: "terpenoid biosynthesis" EXACT [] synonym: "terpenoid formation" EXACT [] synonym: "terpenoid synthesis" EXACT [] xref: Wikipedia:Terpenoid is_a: GO:0006721 ! terpenoid metabolic process is_a: GO:0008299 ! isoprenoid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:26873 ! terpenoid relationship: has_primary_output CHEBI:26873 ! terpenoid [Term] id: GO:0016116 name: carotenoid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail." [ISBN:0198547684] synonym: "carotenoid metabolism" EXACT [] is_a: GO:0016108 ! tetraterpenoid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:23044 ! carotenoid relationship: has_primary_input_or_output CHEBI:23044 ! carotenoid property_value: RO:0002161 NCBITaxon:4896 property_value: RO:0002161 NCBITaxon:4932 [Term] id: GO:0016117 name: carotenoid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of carotenoids, tetraterpenoid compounds in which two units of 4 isoprenoid residues joined head-to-tail are themselves joined tail-to-tail." [GOC:go_curators] synonym: "carotenoid anabolism" EXACT [] synonym: "carotenoid biosynthesis" EXACT [] synonym: "carotenoid formation" EXACT [] synonym: "carotenoid synthesis" EXACT [] xref: MetaCyc:CAROTENOID-PWY is_a: GO:0016109 ! tetraterpenoid biosynthetic process is_a: GO:0016116 ! carotenoid metabolic process is_a: GO:0046148 ! pigment biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:23044 ! carotenoid relationship: has_primary_output CHEBI:23044 ! carotenoid [Term] id: GO:0016119 name: carotene metabolic process namespace: biological_process def: "The chemical reactions and pathways involving carotenes, hydrocarbon carotenoids." [ISBN:0198547684] synonym: "carotene metabolism" EXACT [] is_a: GO:0016116 ! carotenoid metabolic process is_a: GO:0042214 ! terpene metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:23042 ! carotene relationship: has_primary_input_or_output CHEBI:23042 ! carotene [Term] id: GO:0016120 name: carotene biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of carotenes, hydrocarbon carotenoids." [GOC:go_curators] synonym: "carotene anabolism" EXACT [] synonym: "carotene biosynthesis" EXACT [] synonym: "carotene formation" EXACT [] synonym: "carotene synthesis" EXACT [] is_a: GO:0016117 ! carotenoid biosynthetic process is_a: GO:0016119 ! carotene metabolic process is_a: GO:0046246 ! terpene biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:23042 ! carotene relationship: has_primary_output CHEBI:23042 ! carotene [Term] id: GO:0016301 name: kinase activity namespace: molecular_function def: "Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule." [ISBN:0198506732] comment: Note that this term encompasses all activities that transfer a single phosphate group; although ATP is by far the most common phosphate donor, reactions using other phosphate donors are included in this term. subset: goslim_chembl subset: goslim_drosophila subset: goslim_metagenomics subset: goslim_plant subset: goslim_yeast synonym: "phosphokinase activity" EXACT [] xref: Reactome:R-HSA-6788855 "FN3KRP phosphorylates PsiAm, RibAm" xref: Reactome:R-HSA-6788867 "FN3K phosphorylates ketosamines" is_a: GO:0016772 ! transferase activity, transferring phosphorus-containing groups [Term] id: GO:0016597 name: amino acid binding namespace: molecular_function def: "Binding to an amino acid, organic acids containing one or more amino substituents." [GOC:ai] subset: goslim_metagenomics subset: goslim_pir is_a: GO:0043177 ! organic acid binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33709 ! amino acid relationship: has_input CHEBI:33709 ! amino acid [Term] id: GO:0016740 name: transferase activity namespace: molecular_function def: "Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2." [ISBN:0198506732] subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_metagenomics subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_yeast subset: prokaryote_subset xref: EC:2.-.-.- xref: Reactome:R-HSA-1483089 "PE is converted to PS by PTDSS2" xref: Reactome:R-HSA-1483186 "PC is converted to PS by PTDSS1" xref: Reactome:R-HSA-5668414 "TRAF2 ubiquitinates cIAP1,2 in cIAP1,2:TRAF1:TRAF2:TRAF3:NIK" xref: Reactome:R-HSA-8868783 "TSR3 transfers aminocarboxypropyl group from S-adenosylmethionine to N(1)-methylpseudouridine-1248 of 18SE rRNA yielding N(1)-methyl-N(3)-aminocarboxypropylpseudouridine-1248" is_a: GO:0003824 ! catalytic activity [Term] id: GO:0016772 name: transferase activity, transferring phosphorus-containing groups namespace: molecular_function def: "Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor)." [GOC:jl, ISBN:0198506732] comment: Note that this term encompasses all kinase activities, as well as activities that transfer other phosphorus-containing groups such as diphosphate or nucleotides. subset: goslim_chembl xref: EC:2.7.-.- is_a: GO:0016740 ! transferase activity [Term] id: GO:0017046 name: peptide hormone binding namespace: molecular_function def: "Binding to a peptide with hormonal activity in animals." [GOC:jl, ISBN:0198506732] synonym: "polypeptide hormone binding" EXACT [] is_a: GO:0042277 ! peptide binding is_a: GO:0042562 ! hormone binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:25905 ! peptide hormone relationship: has_input CHEBI:25905 ! peptide hormone [Term] id: GO:0018130 name: heterocycle biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings)." [ISBN:0198547684] synonym: "heterocycle anabolism" EXACT [] synonym: "heterocycle biosynthesis" EXACT [] synonym: "heterocycle formation" EXACT [] synonym: "heterocycle synthesis" EXACT [] is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:0046483 ! heterocycle metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:5686 ! heterocyclic compound relationship: has_primary_output CHEBI:5686 ! heterocyclic compound [Term] id: GO:0018958 name: phenol-containing compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring." [ISBN:0198506732] comment: Note that phenol metabolism is not included as a child of 'xenobiotic metabolism' because although it is synthesized industrially, phenol is also found naturally in animal wastes and other organic materials. It is often formed by the activity of microorganisms, which can chemically modify a variety of xenobiotic and naturally occurring phenolic compounds. synonym: "carbolic acid metabolic process" EXACT [] synonym: "carbolic acid metabolism" EXACT [] synonym: "hydroxybenzene metabolic process" EXACT [] synonym: "hydroxybenzene metabolism" EXACT [] synonym: "phenol-containing compound metabolism" EXACT [] xref: UM-BBD_pathwayID:phe is_a: GO:0006725 ! cellular aromatic compound metabolic process is_a: GO:1901360 ! organic cyclic compound metabolic process is_a: GO:1901615 ! organic hydroxy compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33853 ! phenols relationship: has_primary_input_or_output CHEBI:33853 ! phenols [Term] id: GO:0019207 name: kinase regulator activity namespace: molecular_function def: "Modulates the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule." [GOC:ai] is_a: GO:0030234 ! enzyme regulator activity intersection_of: GO:0098772 ! molecular function regulator activity intersection_of: regulates GO:0016301 ! kinase activity relationship: regulates GO:0016301 ! kinase activity [Term] id: GO:0019209 name: kinase activator activity namespace: molecular_function def: "Binds to and increases the activity of a kinase, an enzyme which catalyzes of the transfer of a phosphate group, usually from ATP, to a substrate molecule." [GOC:ai] is_a: GO:0008047 ! enzyme activator activity is_a: GO:0019207 ! kinase regulator activity intersection_of: GO:0140677 ! molecular function activator activity intersection_of: positively_regulates GO:0016301 ! kinase activity relationship: positively_regulates GO:0016301 ! kinase activity [Term] id: GO:0019210 name: kinase inhibitor activity namespace: molecular_function def: "Binds to and stops, prevents or reduces the activity of a kinase." [GOC:mah] is_a: GO:0004857 ! enzyme inhibitor activity is_a: GO:0019207 ! kinase regulator activity intersection_of: GO:0140678 ! molecular function inhibitor activity intersection_of: negatively_regulates GO:0016301 ! kinase activity relationship: negatively_regulates GO:0016301 ! kinase activity [Term] id: GO:0019318 name: hexose metabolic process namespace: biological_process def: "The chemical reactions and pathways involving a hexose, any monosaccharide with a chain of six carbon atoms in the molecule." [ISBN:0198506732] synonym: "hexose metabolism" EXACT [] is_a: GO:0005996 ! monosaccharide metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:18133 ! hexose relationship: has_primary_input_or_output CHEBI:18133 ! hexose [Term] id: GO:0019319 name: hexose biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of hexose, any monosaccharide with a chain of six carbon atoms in the molecule." [ISBN:0198506732] synonym: "hexose anabolism" EXACT [] synonym: "hexose biosynthesis" EXACT [] synonym: "hexose formation" EXACT [] synonym: "hexose synthesis" EXACT [] is_a: GO:0019318 ! hexose metabolic process is_a: GO:0046364 ! monosaccharide biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:18133 ! hexose relationship: has_primary_output CHEBI:18133 ! hexose [Term] id: GO:0019413 name: acetate biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of acetate, the anion of acetic acid." [GOC:go_curators] synonym: "acetate anabolism" EXACT [] synonym: "acetate biosynthesis" EXACT [] synonym: "acetate formation" EXACT [] synonym: "acetate synthesis" EXACT [] is_a: GO:0006083 ! acetate metabolic process is_a: GO:0072330 ! monocarboxylic acid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:30089 ! acetate relationship: has_primary_output CHEBI:30089 ! acetate [Term] id: GO:0019438 name: aromatic compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of aromatic compounds, any substance containing an aromatic carbon ring." [GOC:ai] synonym: "aromatic compound anabolism" EXACT [] synonym: "aromatic compound biosynthesis" EXACT [] synonym: "aromatic compound formation" EXACT [] synonym: "aromatic compound synthesis" EXACT [] synonym: "aromatic hydrocarbon biosynthesis" NARROW [] synonym: "aromatic hydrocarbon biosynthetic process" NARROW [] is_a: GO:0006725 ! cellular aromatic compound metabolic process is_a: GO:0044249 ! cellular biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33655 ! aromatic compound relationship: has_primary_output CHEBI:33655 ! aromatic compound [Term] id: GO:0019538 name: protein metabolic process namespace: biological_process alt_id: GO:0006411 alt_id: GO:0044267 alt_id: GO:0044268 def: "The chemical reactions and pathways involving a protein. Includes protein modification." [GOC:ma] subset: goslim_agr subset: goslim_flybase_ribbon subset: goslim_mouse subset: goslim_pir subset: goslim_plant synonym: "cellular protein metabolic process" EXACT [] synonym: "cellular protein metabolism" EXACT [] synonym: "multicellular organismal protein metabolic process" NARROW [] synonym: "protein metabolic process and modification" EXACT [] synonym: "protein metabolism" EXACT [] synonym: "protein metabolism and modification" EXACT [] xref: Wikipedia:Protein_metabolism is_a: GO:0043170 ! macromolecule metabolic process is_a: GO:0044238 ! primary metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output PR:000000001 ! protein relationship: has_primary_input_or_output PR:000000001 ! protein property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/23112 xsd:anyURI [Term] id: GO:0019605 name: butyrate metabolic process namespace: biological_process alt_id: GO:0043437 def: "The chemical reactions and pathways involving any butyrate, the anions of butyric acid (butanoic acid), a saturated, unbranched aliphatic acid." [ISBN:0198506732] synonym: "butanoic acid metabolic process" EXACT [] synonym: "butanoic acid metabolism" EXACT [] synonym: "butyrate metabolism" EXACT [] synonym: "butyric acid metabolic process" EXACT [] synonym: "butyric acid metabolism" EXACT [] is_a: GO:0046459 ! short-chain fatty acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17968 ! butyrate relationship: has_primary_input_or_output CHEBI:17968 ! butyrate [Term] id: GO:0019637 name: organophosphate metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organophosphates, any phosphate-containing organic compound." [ISBN:0198506732] synonym: "organophosphate metabolism" EXACT [] is_a: GO:0006793 ! phosphorus metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:25710 ! organophosphorus compound relationship: has_primary_input_or_output CHEBI:25710 ! organophosphorus compound [Term] id: GO:0019748 name: secondary metabolic process namespace: biological_process def: "The chemical reactions and pathways resulting in many of the chemical changes of compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. In multicellular organisms secondary metabolism is generally carried out in specific cell types, and may be useful for the organism as a whole. In unicellular organisms, secondary metabolism is often used for the production of antibiotics or for the utilization and acquisition of unusual nutrients." [GOC:go_curators] subset: goslim_chembl subset: goslim_pir subset: goslim_plant subset: goslim_pombe synonym: "secondary metabolism" EXACT [] synonym: "secondary metabolite metabolic process" EXACT [] synonym: "secondary metabolite metabolism" EXACT [] xref: Wikipedia:Secondary_metabolism is_a: GO:0008152 ! metabolic process [Term] id: GO:0019752 name: carboxylic acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving carboxylic acids, any organic acid containing one or more carboxyl (COOH) groups or anions (COO-)." [ISBN:0198506732] synonym: "carboxylic acid metabolism" EXACT [] is_a: GO:0043436 ! oxoacid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:29067 ! carboxylic acid anion relationship: has_primary_input_or_output CHEBI:29067 ! carboxylic acid anion [Term] id: GO:0019825 name: oxygen binding namespace: molecular_function def: "Binding to oxygen (O2)." [GOC:jl] subset: goslim_pir subset: goslim_plant synonym: "cytochrome P450" NARROW [] synonym: "cytochrome P450 activity" RELATED [] is_a: GO:0036094 ! small molecule binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:15379 ! dioxygen relationship: has_input CHEBI:15379 ! dioxygen [Term] id: GO:0019840 name: isoprenoid binding namespace: molecular_function def: "Binding to an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues." [GOC:jl] subset: goslim_pir is_a: GO:0008289 ! lipid binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:24913 ! isoprenoid relationship: has_input CHEBI:24913 ! isoprenoid [Term] id: GO:0022411 name: cellular component disassembly namespace: biological_process alt_id: GO:0071845 def: "A cellular process that results in the breakdown of a cellular component." [GOC:isa_complete] subset: goslim_pir synonym: "cell structure disassembly" EXACT [] synonym: "cellular component disassembly at cellular level" EXACT [] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0009987 ! cellular process intersection_of: results_in_disassembly_of GO:0005575 ! cellular_component relationship: results_in_disassembly_of GO:0005575 ! cellular_component [Term] id: GO:0022607 name: cellular component assembly namespace: biological_process alt_id: GO:0071844 def: "The aggregation, arrangement and bonding together of a cellular component." [GOC:isa_complete] subset: goslim_chembl subset: goslim_pir synonym: "cell structure assembly" EXACT [] synonym: "cellular component assembly at cellular level" EXACT [] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0009987 ! cellular process intersection_of: results_in_assembly_of GO:0005575 ! cellular_component relationship: part_of GO:0044085 ! cellular component biogenesis relationship: results_in_assembly_of GO:0005575 ! cellular_component [Term] id: GO:0022613 name: ribonucleoprotein complex biogenesis namespace: biological_process def: "A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a complex containing RNA and proteins. Includes the biosynthesis of the constituent RNA and protein molecules, and those macromolecular modifications that are involved in synthesis or assembly of the ribonucleoprotein complex." [GOC:isa_complete, GOC:mah] synonym: "ribonucleoprotein complex biogenesis and assembly" EXACT [GOC:mah] synonym: "RNA-protein complex biogenesis" EXACT [GOC:mah] is_a: GO:0044085 ! cellular component biogenesis [Term] id: GO:0022618 name: ribonucleoprotein complex assembly namespace: biological_process def: "The aggregation, arrangement and bonding together of proteins and RNA molecules to form a ribonucleoprotein complex." [GOC:jl] subset: goslim_chembl synonym: "protein-RNA complex assembly" EXACT [] synonym: "RNA-protein complex assembly" EXACT [] synonym: "RNP complex assembly" EXACT [] is_a: GO:0065003 ! protein-containing complex assembly is_a: GO:0071826 ! ribonucleoprotein complex subunit organization intersection_of: GO:0022607 ! cellular component assembly intersection_of: results_in_assembly_of GO:1990904 ! ribonucleoprotein complex relationship: part_of GO:0022613 ! ribonucleoprotein complex biogenesis relationship: results_in_assembly_of GO:1990904 ! ribonucleoprotein complex [Term] id: GO:0030234 name: enzyme regulator activity namespace: molecular_function alt_id: GO:0010576 def: "Binds to and modulates the activity of an enzyme." [GOC:dph, GOC:mah, GOC:tb] comment: This term should only be used in cases when the regulator directly interacts with the enzyme. subset: goslim_agr subset: goslim_candida subset: goslim_chembl subset: goslim_drosophila subset: goslim_mouse subset: goslim_pir subset: goslim_plant subset: goslim_yeast synonym: "catalytic regulator activity" EXACT [GOC:dph] synonym: "enzyme modulator" EXACT [] synonym: "metalloenzyme regulator activity" NARROW [] is_a: GO:0098772 ! molecular function regulator activity intersection_of: GO:0098772 ! molecular function regulator activity intersection_of: regulates GO:0003824 ! catalytic activity relationship: regulates GO:0003824 ! catalytic activity [Term] id: GO:0030246 name: carbohydrate binding namespace: molecular_function alt_id: GO:0005529 def: "Binding to a carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates." [GOC:mah] subset: goslim_agr subset: goslim_chembl subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_metagenomics subset: goslim_pir subset: goslim_plant synonym: "selectin" RELATED [] synonym: "sugar binding" EXACT [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:16646 ! carbohydrate relationship: has_input CHEBI:16646 ! carbohydrate [Term] id: GO:0030247 name: polysaccharide binding namespace: molecular_function alt_id: GO:0002506 def: "Binding to a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically." [GOC:mah] synonym: "polysaccharide assembly with MHC class II protein complex" NARROW [] is_a: GO:0030246 ! carbohydrate binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:18154 ! polysaccharide relationship: has_input CHEBI:18154 ! polysaccharide [Term] id: GO:0030397 name: membrane disassembly namespace: biological_process def: "The controlled breakdown of any cell membrane in the context of a normal process such as autophagy." [GOC:mah] synonym: "membrane breakdown" EXACT [] synonym: "membrane catabolism" EXACT [] synonym: "membrane degradation" EXACT [] is_a: GO:0022411 ! cellular component disassembly is_a: GO:0061024 ! membrane organization intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:0016020 ! membrane relationship: results_in_disassembly_of GO:0016020 ! membrane [Term] id: GO:0031090 name: organelle membrane namespace: cellular_component def: "A membrane that is one of the two lipid bilayers of an organelle envelope or the outermost membrane of single membrane bound organelle." [GOC:dos, GOC:mah] synonym: "intracellular membrane" RELATED [NIF_Subcellular:sao830981606] xref: NIF_Subcellular:sao830981606 is_a: GO:0016020 ! membrane intersection_of: GO:0016020 ! membrane intersection_of: part_of GO:0043227 ! membrane-bounded organelle relationship: part_of GO:0043227 ! membrane-bounded organelle [Term] id: GO:0031406 name: carboxylic acid binding namespace: molecular_function def: "Binding to a carboxylic acid, an organic acid containing one or more carboxyl (COOH) groups or anions (COO-)." [GOC:mah, ISBN:0198506732] subset: goslim_pir is_a: GO:0043168 ! anion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:29067 ! carboxylic acid anion relationship: has_input CHEBI:29067 ! carboxylic acid anion [Term] id: GO:0031965 name: nuclear membrane namespace: cellular_component def: "Either of the lipid bilayers that surround the nucleus and form the nuclear envelope; excludes the intermembrane space." [GOC:mah, GOC:pz] xref: NIF_Subcellular:sao1687101204 is_a: GO:0031090 ! organelle membrane intersection_of: GO:0016020 ! membrane intersection_of: part_of GO:0005634 ! nucleus relationship: part_of GO:0005635 ! nuclear envelope [Term] id: GO:0031967 name: organelle envelope namespace: cellular_component def: "A double membrane structure enclosing an organelle, including two lipid bilayers and the region between them. In some cases, an organelle envelope may have more than two membranes." [GOC:mah, GOC:pz] subset: goslim_mouse is_a: GO:0031975 ! envelope relationship: part_of GO:0043227 ! membrane-bounded organelle relationship: part_of GO:0043229 ! intracellular organelle [Term] id: GO:0031975 name: envelope namespace: cellular_component def: "A multilayered structure surrounding all or part of a cell; encompasses one or more lipid bilayers, and may include a cell wall layer; also includes the space between layers." [GOC:mah, GOC:pz] is_a: GO:0110165 ! cellular anatomical entity relationship: part_of CL:0000000 ! cell [Term] id: GO:0032341 name: aldosterone metabolic process namespace: biological_process def: "The chemical reactions and pathways involving aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance." [PMID:16527843] synonym: "aldosterone metabolism" EXACT [] is_a: GO:0006081 ! cellular aldehyde metabolic process is_a: GO:0008207 ! C21-steroid hormone metabolic process is_a: GO:0008212 ! mineralocorticoid metabolic process is_a: GO:0034308 ! primary alcohol metabolic process is_a: GO:0042180 ! cellular ketone metabolic process is_a: GO:0120254 ! olefinic compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:27584 ! aldosterone relationship: has_primary_input_or_output CHEBI:27584 ! aldosterone [Term] id: GO:0032342 name: aldosterone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of aldosterone, a corticosteroid hormone that is produced by the zona glomerulosa of the adrenal cortex and regulates salt (sodium and potassium) and water balance." [PMID:16527843] is_a: GO:0006700 ! C21-steroid hormone biosynthetic process is_a: GO:0006705 ! mineralocorticoid biosynthetic process is_a: GO:0032341 ! aldosterone metabolic process is_a: GO:0034309 ! primary alcohol biosynthetic process is_a: GO:0042181 ! ketone biosynthetic process is_a: GO:0046184 ! aldehyde biosynthetic process is_a: GO:0120255 ! olefinic compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:27584 ! aldosterone relationship: has_primary_output CHEBI:27584 ! aldosterone [Term] id: GO:0032501 name: multicellular organismal process namespace: biological_process alt_id: GO:0044707 alt_id: GO:0050874 def: "Any biological process, occurring at the level of a multicellular organism, pertinent to its function." [GOC:curators, GOC:dph, GOC:isa_complete, GOC:tb] subset: gocheck_do_not_annotate subset: goslim_pir synonym: "organismal physiological process" EXACT [] synonym: "single-multicellular organism process" RELATED [] is_a: GO:0008150 ! biological_process property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl property_value: RO:0002161 NCBITaxon:2 property_value: RO:0002161 NCBITaxon:2157 property_value: RO:0002161 NCBITaxon:4896 property_value: RO:0002161 NCBITaxon:4932 created_by: jl creation_date: 2012-09-19T16:07:47Z [Term] id: GO:0032774 name: RNA biosynthetic process namespace: biological_process alt_id: GO:0062103 def: "The chemical reactions and pathways resulting in the formation of RNA, ribonucleic acid, one of the two main type of nucleic acid, consisting of a long, unbranched macromolecule formed from ribonucleotides joined in 3',5'-phosphodiester linkage. Includes polymerization of ribonucleotide monomers. Refers not only to transcription but also to e.g. viral RNA replication." [GOC:mah, GOC:txnOH] comment: Note that, in some cases, viral RNA replication and viral transcription from RNA actually refer to the same process, but may be called differently depending on the focus of a specific research study. synonym: "double-stranded RNA biosynthesis" NARROW [] synonym: "double-stranded RNA biosynthetic process" NARROW [] synonym: "dsRNA biosynthesis" NARROW [] synonym: "dsRNA biosynthetic process" NARROW [GOC:BHF, GOC:BHF_telomere, GOC:nc, GOC:rl] synonym: "RNA anabolism" EXACT [] synonym: "RNA biosynthesis" EXACT [] synonym: "RNA formation" EXACT [] synonym: "RNA synthesis" EXACT [] is_a: GO:0009059 ! macromolecule biosynthetic process is_a: GO:0016070 ! RNA metabolic process is_a: GO:0034654 ! nucleobase-containing compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33697 ! ribonucleic acid relationship: has_primary_output CHEBI:33697 ! ribonucleic acid [Term] id: GO:0032787 name: monocarboxylic acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving monocarboxylic acids, any organic acid containing one carboxyl (COOH) group or anion (COO-)." [GOC:vk] subset: goslim_yeast synonym: "monocarboxylate metabolic process" EXACT [] synonym: "monocarboxylic acid metabolism" EXACT [] is_a: GO:0019752 ! carboxylic acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35757 ! monocarboxylic acid anion relationship: has_primary_input_or_output CHEBI:35757 ! monocarboxylic acid anion [Term] id: GO:0032984 name: protein-containing complex disassembly namespace: biological_process alt_id: GO:0034623 alt_id: GO:0043241 alt_id: GO:0043624 def: "The disaggregation of a protein-containing macromolecular complex into its constituent components." [GOC:mah] synonym: "cellular macromolecule complex disassembly" RELATED [] synonym: "cellular protein complex disassembly" RELATED [] synonym: "macromolecule complex disassembly" RELATED [] synonym: "protein complex disassembly" EXACT [] is_a: GO:0022411 ! cellular component disassembly is_a: GO:0043933 ! protein-containing complex organization intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:0032991 ! protein-containing complex relationship: results_in_disassembly_of GO:0032991 ! protein-containing complex property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/22580 xsd:anyURI [Term] id: GO:0032988 name: ribonucleoprotein complex disassembly namespace: biological_process def: "The disaggregation of a protein-RNA complex into its constituent components." [GOC:mah] synonym: "protein-RNA complex disassembly" EXACT [] synonym: "RNA-protein complex disassembly" EXACT [] synonym: "RNP complex disassembly" EXACT [] is_a: GO:0032984 ! protein-containing complex disassembly is_a: GO:0071826 ! ribonucleoprotein complex subunit organization intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:1990904 ! ribonucleoprotein complex relationship: results_in_disassembly_of GO:1990904 ! ribonucleoprotein complex [Term] id: GO:0032991 name: protein-containing complex namespace: cellular_component alt_id: GO:0043234 def: "A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together." [GOC:dos, GOC:mah] comment: A protein complex in this context is meant as a stable set of interacting proteins which can be co-purified by an acceptable method, and where the complex has been shown to exist as an isolated, functional unit in vivo. Acceptable experimental methods include stringent protein purification followed by detection of protein interaction. The following methods should be considered non-acceptable: simple immunoprecipitation, pull-down experiments from cell extracts without further purification, colocalization and 2-hybrid screening. Interactions that should not be captured as protein complexes include: 1) enzyme/substrate, receptor/ligand or any similar transient interactions, unless these are a critical part of the complex assembly or are required e.g. for the receptor to be functional; 2) proteins associated in a pull-down/co-immunoprecipitation assay with no functional link or any evidence that this is a defined biological entity rather than a loose-affinity complex; 3) any complex where the only evidence is based on genetic interaction data; 4) partial complexes, where some subunits (e.g. transmembrane ones) cannot be expressed as recombinant proteins and are excluded from experiments (in this case, independent evidence is necessary to find out the composition of the full complex, if known). Interactions that may be captured as protein complexes include: 1) enzyme/substrate or receptor/ligand if the complex can only assemble and become functional in the presence of both classes of subunits; 2) complexes where one of the members has not been shown to be physically linked to the other(s), but is a homologue of, and has the same functionality as, a protein that has been experimentally demonstrated to form a complex with the other member(s); 3) complexes whose existence is accepted based on localization and pharmacological studies, but for which experimental evidence is not yet available for the complex as a whole. subset: goslim_agr subset: goslim_chembl subset: goslim_flybase_ribbon subset: goslim_mouse subset: goslim_pir synonym: "macromolecular complex" EXACT [] synonym: "macromolecule complex" EXACT [] synonym: "protein complex" NARROW [] synonym: "protein containing complex" EXACT [] synonym: "protein-protein complex" NARROW [] is_a: GO:0005575 ! cellular_component relationship: has_part PR:000000001 ! protein [Term] id: GO:0033218 name: amide binding namespace: molecular_function def: "Binding to an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [GOC:mah] subset: goslim_pir is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:32988 ! amide relationship: has_input CHEBI:32988 ! amide [Term] id: GO:0033293 name: monocarboxylic acid binding namespace: molecular_function def: "Binding to a monocarboxylic acid, any organic acid containing one carboxyl (COOH) group or anion (COO-)." [GOC:mah] is_a: GO:0031406 ! carboxylic acid binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:35757 ! monocarboxylic acid anion relationship: has_input CHEBI:35757 ! monocarboxylic acid anion [Term] id: GO:0034185 name: apolipoprotein binding namespace: molecular_function def: "Binding to an apolipoprotein, the protein component of a lipoprotein complex." [GOC:BHF, GOC:rl] is_a: GO:0005515 ! protein binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:39015 ! apolipoprotein relationship: has_input CHEBI:39015 ! apolipoprotein property_value: RO:0002161 NCBITaxon:4751 [Term] id: GO:0034308 name: primary alcohol metabolic process namespace: biological_process def: "The chemical reactions and pathways involving primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it." [GOC:mah] synonym: "monohydric alcohol metabolic process" EXACT [] synonym: "primary alcohol metabolism" EXACT [GOC:mah] is_a: GO:0006066 ! alcohol metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:15734 ! primary alcohol relationship: has_primary_input_or_output CHEBI:15734 ! primary alcohol [Term] id: GO:0034309 name: primary alcohol biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of primary alcohols. A primary alcohol is any alcohol in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it." [GOC:mah] synonym: "monohydric alcohol biosynthetic process" EXACT [] synonym: "primary alcohol anabolism" EXACT [GOC:mah] synonym: "primary alcohol biosynthesis" EXACT [GOC:mah] synonym: "primary alcohol formation" EXACT [GOC:mah] synonym: "primary alcohol synthesis" EXACT [GOC:mah] is_a: GO:0034308 ! primary alcohol metabolic process is_a: GO:0046165 ! alcohol biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:15734 ! primary alcohol relationship: has_primary_output CHEBI:15734 ! primary alcohol [Term] id: GO:0034641 name: cellular nitrogen compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving various organic and inorganic nitrogenous compounds, as carried out by individual cells." [GOC:mah] subset: goslim_chembl synonym: "cellular nitrogen compound metabolism" EXACT [] is_a: GO:0006807 ! nitrogen compound metabolic process is_a: GO:0044237 ! cellular metabolic process [Term] id: GO:0034645 name: cellular macromolecule biosynthetic process namespace: biological_process alt_id: GO:0034961 def: "The chemical reactions and pathways resulting in the formation of a macromolecule, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, carried out by individual cells." [GOC:mah] synonym: "cellular biopolymer biosynthetic process" EXACT [GOC:mtg_chebi_dec09] synonym: "cellular macromolecule anabolism" EXACT [GOC:mah] synonym: "cellular macromolecule biosynthesis" EXACT [GOC:mah] synonym: "cellular macromolecule formation" EXACT [GOC:mah] synonym: "cellular macromolecule synthesis" EXACT [GOC:mah] is_a: GO:0009059 ! macromolecule biosynthetic process is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:0044260 ! cellular macromolecule metabolic process [Term] id: GO:0034654 name: nucleobase-containing compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of nucleobases, nucleosides, nucleotides and nucleic acids." [GOC:mah] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid anabolism" EXACT [] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid biosynthesis" EXACT [] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid formation" EXACT [] synonym: "nucleobase, nucleoside, nucleotide and nucleic acid synthesis" NARROW [] is_a: GO:0006139 ! nucleobase-containing compound metabolic process is_a: GO:0018130 ! heterocycle biosynthetic process is_a: GO:0019438 ! aromatic compound biosynthetic process is_a: GO:0044271 ! cellular nitrogen compound biosynthetic process is_a: GO:1901362 ! organic cyclic compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:61120 ! nucleobase-containing molecular entity relationship: has_primary_output CHEBI:61120 ! nucleobase-containing molecular entity [Term] id: GO:0035240 name: dopamine binding namespace: molecular_function def: "Binding to dopamine, a catecholamine neurotransmitter formed by aromatic-L-amino-acid decarboxylase from 3,4-dihydroxy-L-phenylalanine." [ISBN:0198506732] is_a: GO:0043169 ! cation binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:59905 ! dopaminium(1+) relationship: has_input CHEBI:59905 ! dopaminium(1+) [Term] id: GO:0035834 name: indole alkaloid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an indole alkaloid, an alkaloid containing an indole skeleton." [GOC:yaf] synonym: "indole alkaloid metabolism" EXACT [GOC:bf] is_a: GO:0009820 ! alkaloid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:38958 ! indole alkaloid relationship: has_primary_input_or_output CHEBI:38958 ! indole alkaloid created_by: bf creation_date: 2011-05-04T03:17:44Z [Term] id: GO:0035835 name: indole alkaloid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an indole alkaloid, an alkaloid containing an indole skeleton." [GOC:yaf] synonym: "indole alkaloid anabolism" EXACT [GOC:bf] synonym: "indole alkaloid biosynthesis" EXACT [GOC:bf] synonym: "indole alkaloid formation" EXACT [GOC:bf] synonym: "indole alkaloid synthesis" EXACT [GOC:bf] is_a: GO:0009821 ! alkaloid biosynthetic process is_a: GO:0035834 ! indole alkaloid metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:38958 ! indole alkaloid relationship: has_primary_output CHEBI:38958 ! indole alkaloid created_by: bf creation_date: 2011-05-04T03:18:31Z [Term] id: GO:0036094 name: small molecule binding namespace: molecular_function def: "Binding to a small molecule, any low molecular weight, monomeric, non-encoded molecule." [GOC:curators, GOC:pde, GOC:pm] comment: Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. subset: goslim_agr subset: goslim_flybase_ribbon is_a: GO:0005488 ! binding created_by: bf creation_date: 2012-01-17T04:20:34Z [Term] id: GO:0042133 name: neurotransmitter metabolic process namespace: biological_process def: "The chemical reactions and pathways involving neurotransmitters, any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell." [GOC:jl] subset: goslim_pir synonym: "neurotransmitter metabolism" EXACT [] is_a: GO:0001505 ! regulation of neurotransmitter levels is_a: GO:0044237 ! cellular metabolic process property_value: RO:0002161 NCBITaxon:4895 [Term] id: GO:0042136 name: neurotransmitter biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any of a group of substances that are released on excitation from the axon terminal of a presynaptic neuron of the central or peripheral nervous system and travel across the synaptic cleft to either excite or inhibit the target cell." [GOC:jl] subset: goslim_synapse synonym: "neurotransmitter anabolism" EXACT [] synonym: "neurotransmitter biosynthesis" EXACT [] synonym: "neurotransmitter biosynthesis and storage" BROAD [] synonym: "neurotransmitter biosynthetic process and storage" BROAD [] synonym: "neurotransmitter formation" EXACT [] synonym: "neurotransmitter synthesis" EXACT [] is_a: GO:0042133 ! neurotransmitter metabolic process is_a: GO:0044249 ! cellular biosynthetic process [Term] id: GO:0042157 name: lipoprotein metabolic process namespace: biological_process def: "The chemical reactions and pathways involving any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids." [ISBN:0198506732] synonym: "lipoprotein metabolism" EXACT [] is_a: GO:0019538 ! protein metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:6495 ! lipoprotein relationship: has_primary_input_or_output CHEBI:6495 ! lipoprotein [Term] id: GO:0042158 name: lipoprotein biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any conjugated, water-soluble protein in which the covalently attached nonprotein group consists of a lipid or lipids." [ISBN:0198506732] subset: goslim_pombe synonym: "lipoprotein anabolism" EXACT [] synonym: "lipoprotein biosynthesis" EXACT [] synonym: "lipoprotein formation" EXACT [] synonym: "lipoprotein synthesis" EXACT [] is_a: GO:0034645 ! cellular macromolecule biosynthetic process is_a: GO:0042157 ! lipoprotein metabolic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:6495 ! lipoprotein relationship: has_primary_output CHEBI:6495 ! lipoprotein [Term] id: GO:0042165 name: neurotransmitter binding namespace: molecular_function def: "Binding to a neurotransmitter, any chemical substance that is capable of transmitting (or inhibiting the transmission of) a nerve impulse from a neuron to another cell." [ISBN:0198506732] subset: goslim_pir is_a: GO:0005488 ! binding [Term] id: GO:0042166 name: acetylcholine binding namespace: molecular_function def: "Binding to acetylcholine, an acetic acid ester of the organic base choline that functions as a neurotransmitter, released at the synapses of parasympathetic nerves and at neuromuscular junctions." [GOC:ai] is_a: GO:0042165 ! neurotransmitter binding is_a: GO:0043169 ! cation binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:15355 ! acetylcholine relationship: has_input CHEBI:15355 ! acetylcholine [Term] id: GO:0042180 name: cellular ketone metabolic process namespace: biological_process def: "The chemical reactions and pathways involving any of a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms, as carried out by individual cells. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups." [GOC:jl, ISBN:0787650153] subset: goslim_pir synonym: "ketone metabolism" EXACT [] is_a: GO:0044237 ! cellular metabolic process is_a: GO:0044281 ! small molecule metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17087 ! ketone relationship: has_primary_input_or_output CHEBI:17087 ! ketone [Term] id: GO:0042181 name: ketone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of ketones, a class of organic compounds that contain the carbonyl group, CO, and in which the carbonyl group is bonded only to carbon atoms. The general formula for a ketone is RCOR, where R and R are alkyl or aryl groups." [GOC:go_curators] synonym: "ketone anabolism" EXACT [] synonym: "ketone biosynthesis" EXACT [] synonym: "ketone formation" EXACT [] synonym: "ketone synthesis" EXACT [] is_a: GO:0042180 ! cellular ketone metabolic process is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:0044283 ! small molecule biosynthetic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17087 ! ketone relationship: has_primary_output CHEBI:17087 ! ketone [Term] id: GO:0042214 name: terpene metabolic process namespace: biological_process def: "The chemical reactions and pathways involving terpenes, any of a large group of hydrocarbons that are made up of isoprene (C5H8) units which may be cyclic, acyclic or multicyclic, saturated or unsaturated, and may contain various functional groups." [GOC:curators] synonym: "terpene metabolism" EXACT [] is_a: GO:0006720 ! isoprenoid metabolic process is_a: GO:0120252 ! hydrocarbon metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35186 ! terpene relationship: has_primary_input_or_output CHEBI:35186 ! terpene [Term] id: GO:0042277 name: peptide binding namespace: molecular_function def: "Binding to a peptide, an organic compound comprising two or more amino acids linked by peptide bonds." [GOC:jl] subset: goslim_chembl subset: goslim_pir is_a: GO:0033218 ! amide binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:16670 ! peptide relationship: has_input CHEBI:16670 ! peptide [Term] id: GO:0042301 name: phosphate ion binding namespace: molecular_function def: "Binding to a phosphate ion." [GOC:jl] is_a: GO:0043168 ! anion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:35780 ! phosphate ion relationship: has_input CHEBI:35780 ! phosphate ion [Term] id: GO:0042401 name: biogenic amine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways occurring at the level of individual cells resulting in the formation of any of a group of naturally occurring, biologically active amines, such as norepinephrine, histamine, and serotonin, many of which act as neurotransmitters." [GOC:jl, ISBN:0395825172] synonym: "biogenic amine anabolism" EXACT [] synonym: "biogenic amine biosynthesis" EXACT [] synonym: "biogenic amine formation" EXACT [] synonym: "biogenic amine synthesis" EXACT [] synonym: "cellular biogenic amine biosynthetic process" EXACT [] is_a: GO:0006576 ! biogenic amine metabolic process is_a: GO:0009309 ! amine biosynthetic process [Term] id: GO:0042414 name: epinephrine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine." [GOC:jl, ISBN:0192801023, ISBN:0198506732] synonym: "adrenaline metabolic process" EXACT [] synonym: "adrenaline metabolism" EXACT [] synonym: "epinephrine metabolism" EXACT [] is_a: GO:0006584 ! catecholamine metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33568 ! adrenaline relationship: has_primary_input_or_output CHEBI:33568 ! adrenaline [Term] id: GO:0042416 name: dopamine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline." [GOC:jl, ISBN:0198506732] synonym: "dopamine anabolism" EXACT [] synonym: "dopamine biosynthesis" EXACT [] synonym: "dopamine formation" EXACT [] synonym: "dopamine synthesis" EXACT [] is_a: GO:0009058 ! biosynthetic process is_a: GO:0042417 ! dopamine metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:59905 ! dopaminium(1+) relationship: has_primary_output CHEBI:59905 ! dopaminium(1+) [Term] id: GO:0042417 name: dopamine metabolic process namespace: biological_process def: "The chemical reactions and pathways involving dopamine, a catecholamine neurotransmitter and a metabolic precursor of noradrenaline and adrenaline." [GOC:jl, ISBN:0198506732] synonym: "dopamine metabolism" EXACT [] is_a: GO:0006807 ! nitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:59905 ! dopaminium(1+) relationship: has_primary_input_or_output CHEBI:59905 ! dopaminium(1+) [Term] id: GO:0042418 name: epinephrine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine." [GOC:jl, ISBN:0192801023, ISBN:0198506732] synonym: "adrenaline biosynthesis" EXACT [] synonym: "adrenaline biosynthetic process" EXACT [] synonym: "epinephrine anabolism" EXACT [] synonym: "epinephrine biosynthesis" EXACT [] synonym: "epinephrine formation" EXACT [] synonym: "epinephrine synthesis" EXACT [] is_a: GO:0042414 ! epinephrine metabolic process is_a: GO:0042423 ! catecholamine biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33568 ! adrenaline relationship: has_primary_output CHEBI:33568 ! adrenaline [Term] id: GO:0042423 name: catecholamine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any of a group of physiologically important biogenic amines that possess a catechol (3,4-dihydroxyphenyl) nucleus and are derivatives of 3,4-dihydroxyphenylethylamine." [GOC:jl, ISBN:0198506732] synonym: "catecholamine anabolism" EXACT [] synonym: "catecholamine biosynthesis" EXACT [] synonym: "catecholamine formation" EXACT [] synonym: "catecholamine synthesis" EXACT [] xref: Wikipedia:Catecholamines is_a: GO:0006584 ! catecholamine metabolic process is_a: GO:0009713 ! catechol-containing compound biosynthetic process is_a: GO:0042401 ! biogenic amine biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33567 ! catecholamine relationship: has_primary_output CHEBI:33567 ! catecholamine [Term] id: GO:0042427 name: serotonin biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties." [GOC:jl, ISBN:0198506732] synonym: "serotonin anabolism" EXACT [] synonym: "serotonin biosynthesis" EXACT [] synonym: "serotonin formation" EXACT [] synonym: "serotonin synthesis" EXACT [] xref: Wikipedia:Serotonin is_a: GO:0009058 ! biosynthetic process is_a: GO:0042428 ! serotonin metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:350546 ! serotonin(1+) relationship: has_primary_output CHEBI:350546 ! serotonin(1+) [Term] id: GO:0042428 name: serotonin metabolic process namespace: biological_process def: "The chemical reactions and pathways involving serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties." [GOC:jl, ISBN:0198506732] synonym: "serotonin metabolism" EXACT [] is_a: GO:0018958 ! phenol-containing compound metabolic process is_a: GO:0042430 ! indole-containing compound metabolic process is_a: GO:0097164 ! ammonium ion metabolic process is_a: GO:1901160 ! primary amino compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:350546 ! serotonin(1+) relationship: has_primary_input_or_output CHEBI:350546 ! serotonin(1+) [Term] id: GO:0042430 name: indole-containing compound metabolic process namespace: biological_process alt_id: GO:0042434 def: "The chemical reactions and pathways involving compounds that contain an indole (2,3-benzopyrrole) skeleton." [GOC:jl, GOC:mah] synonym: "indole and derivative metabolic process" EXACT [] synonym: "indole and derivative metabolism" EXACT [] synonym: "indole derivative metabolic process" NARROW [] synonym: "indole derivative metabolism" NARROW [] synonym: "indole-containing compound metabolism" EXACT [] synonym: "ketole metabolic process" EXACT [] synonym: "ketole metabolism" EXACT [] is_a: GO:0006725 ! cellular aromatic compound metabolic process is_a: GO:0034641 ! cellular nitrogen compound metabolic process is_a: GO:0046483 ! heterocycle metabolic process is_a: GO:1901360 ! organic cyclic compound metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24828 ! indoles relationship: has_primary_input_or_output CHEBI:24828 ! indoles [Term] id: GO:0042435 name: indole-containing compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of compounds that contain an indole (2,3-benzopyrrole) skeleton." [GOC:jl] synonym: "indole derivative biosynthesis" EXACT [] synonym: "indole derivative biosynthetic process" EXACT [] synonym: "indole-containing compound anabolism" EXACT [] synonym: "indole-containing compound biosynthesis" EXACT [] synonym: "indole-containing compound formation" EXACT [] synonym: "indole-containing compound synthesis" EXACT [] is_a: GO:0018130 ! heterocycle biosynthetic process is_a: GO:0019438 ! aromatic compound biosynthetic process is_a: GO:0042430 ! indole-containing compound metabolic process is_a: GO:0044271 ! cellular nitrogen compound biosynthetic process is_a: GO:1901362 ! organic cyclic compound biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:24828 ! indoles relationship: has_primary_output CHEBI:24828 ! indoles [Term] id: GO:0042440 name: pigment metabolic process namespace: biological_process def: "The chemical reactions and pathways involving pigment, any general or particular coloring matter in living organisms, e.g. melanin." [GOC:jl, ISBN:0198506732] subset: goslim_drosophila subset: goslim_pir synonym: "pigment metabolism" EXACT [] is_a: GO:0008152 ! metabolic process [Term] id: GO:0042445 name: hormone metabolic process namespace: biological_process alt_id: GO:0034754 def: "The chemical reactions and pathways involving any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone." [GOC:jl] subset: goslim_pir synonym: "cellular hormone metabolic process" RELATED [] synonym: "hormone metabolism" EXACT [] is_a: GO:0010817 ! regulation of hormone levels property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/23965 xsd:anyURI property_value: RO:0002161 NCBITaxon:4895 [Term] id: GO:0042446 name: hormone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone." [GOC:jl] synonym: "hormone anabolism" EXACT [] synonym: "hormone biosynthesis" EXACT [] synonym: "hormone formation" EXACT [] synonym: "hormone synthesis" EXACT [] is_a: GO:0042445 ! hormone metabolic process [Term] id: GO:0042448 name: progesterone metabolic process namespace: biological_process def: "The chemical reactions and pathways involving progesterone, a steroid hormone produced in the ovary which prepares and maintains the uterus for pregnancy. Also found in plants." [GOC:jl, http://www.cogsci.princeton.edu/] synonym: "progesterone metabolism" EXACT [] is_a: GO:0008207 ! C21-steroid hormone metabolic process is_a: GO:0042180 ! cellular ketone metabolic process is_a: GO:0120254 ! olefinic compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17026 ! progesterone relationship: has_primary_input_or_output CHEBI:17026 ! progesterone [Term] id: GO:0042562 name: hormone binding namespace: molecular_function def: "Binding to an hormone, a naturally occurring substance secreted by specialized cells that affect the metabolism or behavior of cells possessing functional receptors for the hormone. Hormones may be produced by the same, or different, cell as express the receptor." [GOC:jl] subset: goslim_chembl subset: goslim_pir is_a: GO:0005488 ! binding [Term] id: GO:0042756 name: drinking behavior namespace: biological_process def: "The specific behavior of an organism relating to the intake of liquids, especially water." [GOC:curators, GOC:pr] synonym: "drinking behaviour" EXACT [] is_a: GO:0007631 ! feeding behavior property_value: IAO:0000412 http://purl.obolibrary.org/obo/go.owl [Term] id: GO:0043021 name: ribonucleoprotein complex binding namespace: molecular_function def: "Binding to a complex of RNA and protein." [GOC:bf, GOC:go_curators, GOC:vk] subset: goslim_pir synonym: "protein-RNA complex binding" EXACT [GOC:bf, GOC:vk] synonym: "ribonucleoprotein binding" EXACT [GOC:bf, GOC:vk] synonym: "RNP binding" EXACT [] is_a: GO:0044877 ! protein-containing complex binding intersection_of: GO:0005488 ! binding intersection_of: has_input GO:1990904 ! ribonucleoprotein complex relationship: has_input GO:1990904 ! ribonucleoprotein complex [Term] id: GO:0043043 name: peptide biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of peptides, compounds of 2 or more (but usually less than 100) amino acids where the alpha carboxyl group of one is bound to the alpha amino group of another. This may include the translation of a precursor protein and its subsequent processing into a functional peptide." [GOC:dph, GOC:jl] synonym: "peptide anabolism" EXACT [] synonym: "peptide biosynthesis" EXACT [] synonym: "peptide formation" EXACT [] synonym: "peptide synthesis" EXACT [] is_a: GO:0006518 ! peptide metabolic process is_a: GO:0043604 ! amide biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:16670 ! peptide relationship: has_primary_output CHEBI:16670 ! peptide [Term] id: GO:0043167 name: ion binding namespace: molecular_function def: "Binding to an ion, a charged atoms or groups of atoms." [GOC:jl] subset: goslim_chembl subset: goslim_metagenomics subset: goslim_pir subset: goslim_yeast synonym: "atom binding" RELATED [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:24870 ! ion relationship: has_input CHEBI:24870 ! ion [Term] id: GO:0043168 name: anion binding namespace: molecular_function def: "Binding to an anion, a charged atom or group of atoms with a net negative charge." [GOC:jl] is_a: GO:0043167 ! ion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:22563 ! anion relationship: has_input CHEBI:22563 ! anion [Term] id: GO:0043169 name: cation binding namespace: molecular_function def: "Binding to a cation, a charged atom or group of atoms with a net positive charge." [GOC:jl] is_a: GO:0043167 ! ion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:36916 ! cation relationship: has_input CHEBI:36916 ! cation [Term] id: GO:0043170 name: macromolecule metabolic process namespace: biological_process alt_id: GO:0043283 alt_id: GO:0044259 def: "The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." [GOC:mah] subset: goslim_pir synonym: "biopolymer metabolic process" EXACT [GOC:mtg_chebi_dec09] synonym: "macromolecule metabolism" EXACT [] synonym: "multicellular organismal macromolecule metabolic process" NARROW [] synonym: "organismal macromolecule metabolism" EXACT [] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33694 ! biomacromolecule relationship: has_primary_input_or_output CHEBI:33694 ! biomacromolecule [Term] id: GO:0043176 name: amine binding namespace: molecular_function def: "Binding to an amine, a weakly basic organic compound that contains an amino or a substituted amino group." [GOC:jl] subset: goslim_pir is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:32952 ! amine relationship: has_input CHEBI:32952 ! amine [Term] id: GO:0043177 name: organic acid binding namespace: molecular_function def: "Binding to an organic acid, any acidic compound containing carbon in covalent linkage." [GOC:jl, ISBN:0198506732] is_a: GO:0036094 ! small molecule binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:64709 ! organic acid relationship: has_input CHEBI:64709 ! organic acid [Term] id: GO:0043178 name: alcohol binding namespace: molecular_function def: "Binding to an alcohol, any of a class of alkyl compounds containing a hydroxyl group." [GOC:jl, ISBN:0198506732] subset: goslim_pir is_a: GO:0036094 ! small molecule binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:30879 ! alcohol relationship: has_input CHEBI:30879 ! alcohol [Term] id: GO:0043199 name: sulfate binding namespace: molecular_function def: "Binding to sulfate, SO4(2-), a negatively charged small molecule." [GOC:mlg] is_a: GO:0043168 ! anion binding is_a: GO:1901681 ! sulfur compound binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:16189 ! sulfate relationship: has_input CHEBI:16189 ! sulfate [Term] id: GO:0043226 name: organelle namespace: cellular_component def: "Organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton, and prokaryotic structures such as anammoxosomes and pirellulosomes. Excludes the plasma membrane." [GOC:go_curators] subset: goslim_chembl subset: goslim_generic subset: goslim_pir subset: prokaryote_subset xref: NIF_Subcellular:sao1539965131 xref: Wikipedia:Organelle is_a: GO:0110165 ! cellular anatomical entity [Term] id: GO:0043227 name: membrane-bounded organelle namespace: cellular_component def: "Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane." [GOC:go_curators] synonym: "membrane-enclosed organelle" EXACT [] xref: NIF_Subcellular:sao414196390 is_a: GO:0043226 ! organelle intersection_of: GO:0043226 ! organelle intersection_of: has_part GO:0016020 ! membrane relationship: has_part GO:0016020 ! membrane [Term] id: GO:0043229 name: intracellular organelle namespace: cellular_component def: "Organized structure of distinctive morphology and function, occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane." [GOC:go_curators] subset: goslim_pir is_a: GO:0043226 ! organelle intersection_of: GO:0043226 ! organelle intersection_of: part_of GO:0005622 ! intracellular anatomical structure relationship: part_of GO:0005622 ! intracellular anatomical structure [Term] id: GO:0043231 name: intracellular membrane-bounded organelle namespace: cellular_component def: "Organized structure of distinctive morphology and function, bounded by a single or double lipid bilayer membrane and occurring within the cell. Includes the nucleus, mitochondria, plastids, vacuoles, and vesicles. Excludes the plasma membrane." [GOC:go_curators] subset: goslim_pir synonym: "intracellular membrane-enclosed organelle" EXACT [] is_a: GO:0043227 ! membrane-bounded organelle is_a: GO:0043229 ! intracellular organelle intersection_of: GO:0043227 ! membrane-bounded organelle intersection_of: part_of GO:0005622 ! intracellular anatomical structure [Term] id: GO:0043436 name: oxoacid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving any oxoacid; an oxoacid is a compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [Wikipedia:Oxyacid] synonym: "keto acid metabolic process" EXACT [] synonym: "keto acid metabolism" EXACT [] synonym: "ketoacid metabolic process" EXACT [] synonym: "ketoacid metabolism" EXACT [] synonym: "oxo acid metabolic process" EXACT [] synonym: "oxo acid metabolism" EXACT [] synonym: "oxoacid metabolism" EXACT [] is_a: GO:0006082 ! organic acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35406 ! oxoanion relationship: has_primary_input_or_output CHEBI:35406 ! oxoanion [Term] id: GO:0043603 name: amide metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group, as carried out by individual cells." [GOC:curators] subset: goslim_pir synonym: "amide metabolism" EXACT [] synonym: "cellular amide metabolic process" EXACT [] is_a: GO:0006807 ! nitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:32988 ! amide relationship: has_primary_input_or_output CHEBI:32988 ! amide [Term] id: GO:0043604 name: amide biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an amide, any derivative of an oxoacid in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [GOC:curators] is_a: GO:0043603 ! amide metabolic process is_a: GO:0044271 ! cellular nitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:32988 ! amide relationship: has_primary_output CHEBI:32988 ! amide [Term] id: GO:0043933 name: protein-containing complex organization namespace: biological_process alt_id: GO:0034600 alt_id: GO:0034621 alt_id: GO:0071822 def: "Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a protein complex." [GOC:mah] synonym: "cellular macromolecular complex organization" RELATED [] synonym: "cellular macromolecular complex subunit organisation" RELATED [] synonym: "cellular macromolecular complex subunit organization" RELATED [] synonym: "macromolecular complex organization" RELATED [] synonym: "macromolecular complex subunit organisation" RELATED [] synonym: "macromolecular complex subunit organization" RELATED [] synonym: "protein complex subunit organisation" EXACT [GOC:mah] synonym: "protein complex subunit organization" EXACT [] synonym: "protein-containing complex subunit organization" RELATED [] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0032991 ! protein-containing complex relationship: results_in_organization_of GO:0032991 ! protein-containing complex property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/22580 xsd:anyURI created_by: mah creation_date: 2010-09-08T10:01:42Z [Term] id: GO:0044085 name: cellular component biogenesis namespace: biological_process alt_id: GO:0071843 def: "A process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a cellular component. Includes biosynthesis of constituent macromolecules, and those macromolecular modifications that are involved in synthesis or assembly of the cellular component." [GOC:jl, GOC:mah] subset: goslim_pir synonym: "cellular component biogenesis at cellular level" EXACT [] is_a: GO:0071840 ! cellular component organization or biogenesis [Term] id: GO:0044091 name: membrane biogenesis namespace: biological_process def: "A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a membrane." [GOC:jl] is_a: GO:0044085 ! cellular component biogenesis intersection_of: GO:0044085 ! cellular component biogenesis intersection_of: has_output GO:0016020 ! membrane relationship: has_output GO:0016020 ! membrane [Term] id: GO:0044207 name: translation initiation ternary complex namespace: cellular_component def: "A ribonucleoprotein complex that contains aminoacylated initiator methionine tRNA, GTP, and initiation factor 2 (either eIF2 in eukaryotes, or IF2 in prokaryotes). In prokaryotes, fMet-tRNA (initiator) is used rather than Met-tRNA (initiator)." [GOC:jl] synonym: "Met-tRNA/eIF2.GTP ternary complex" NARROW [] synonym: "translation initiation (ternary) complex" EXACT [] is_a: GO:1990904 ! ribonucleoprotein complex relationship: part_of GO:0005737 ! cytoplasm created_by: jl creation_date: 2009-10-22T02:38:55Z [Term] id: GO:0044237 name: cellular metabolic process namespace: biological_process def: "The chemical reactions and pathways by which individual cells transform chemical substances." [GOC:go_curators] subset: gocheck_do_not_annotate synonym: "cellular metabolism" EXACT [] synonym: "intermediary metabolism" RELATED [GOC:mah] is_a: GO:0008152 ! metabolic process is_a: GO:0009987 ! cellular process [Term] id: GO:0044238 name: primary metabolic process namespace: biological_process def: "The chemical reactions and pathways involving those compounds which are formed as a part of the normal anabolic and catabolic processes. These processes take place in most, if not all, cells of the organism." [GOC:go_curators, http://www.metacyc.org] subset: goslim_pir synonym: "primary metabolism" EXACT [] is_a: GO:0008152 ! metabolic process [Term] id: GO:0044249 name: cellular biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of substances, carried out by individual cells." [GOC:jl] synonym: "cellular anabolism" EXACT [] synonym: "cellular biosynthesis" EXACT [] synonym: "cellular formation" EXACT [] synonym: "cellular synthesis" EXACT [] is_a: GO:0009058 ! biosynthetic process is_a: GO:0044237 ! cellular metabolic process [Term] id: GO:0044255 name: cellular lipid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving lipids, as carried out by individual cells." [GOC:jl] subset: goslim_pir synonym: "cellular lipid metabolism" EXACT [] is_a: GO:0006629 ! lipid metabolic process is_a: GO:0044237 ! cellular metabolic process [Term] id: GO:0044260 name: cellular macromolecule metabolic process namespace: biological_process alt_id: GO:0034960 def: "The chemical reactions and pathways involving macromolecules, any molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass, as carried out by individual cells." [GOC:mah] synonym: "cellular biopolymer metabolic process" EXACT [GOC:mtg_chebi_dec09] synonym: "cellular macromolecule metabolism" EXACT [] is_a: GO:0043170 ! macromolecule metabolic process is_a: GO:0044237 ! cellular metabolic process [Term] id: GO:0044271 name: cellular nitrogen compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of organic and inorganic nitrogenous compounds." [GOC:jl, ISBN:0198506732] synonym: "nitrogen compound anabolism" BROAD [] synonym: "nitrogen compound biosynthesis" BROAD [] synonym: "nitrogen compound formation" BROAD [] synonym: "nitrogen compound synthesis" BROAD [] is_a: GO:0034641 ! cellular nitrogen compound metabolic process is_a: GO:0044249 ! cellular biosynthetic process [Term] id: GO:0044272 name: sulfur compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of compounds that contain sulfur, such as the amino acids methionine and cysteine or the tripeptide glutathione." [GOC:jl] synonym: "sulfur biosynthesis" NARROW [] synonym: "sulfur biosynthetic process" NARROW [] synonym: "sulfur compound anabolism" EXACT [] synonym: "sulfur compound biosynthesis" EXACT [] synonym: "sulfur compound formation" EXACT [] synonym: "sulfur compound synthesis" EXACT [] is_a: GO:0006790 ! sulfur compound metabolic process is_a: GO:0044249 ! cellular biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:26835 ! sulfur molecular entity relationship: has_primary_output CHEBI:26835 ! sulfur molecular entity [Term] id: GO:0044281 name: small molecule metabolic process namespace: biological_process def: "The chemical reactions and pathways involving small molecules, any low molecular weight, monomeric, non-encoded molecule." [GOC:curators, GOC:pde, GOC:vw] comment: Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. subset: goslim_chembl subset: goslim_flybase_ribbon subset: goslim_metagenomics synonym: "small molecule metabolism" EXACT [] is_a: GO:0008152 ! metabolic process created_by: jl creation_date: 2010-01-26T12:05:20Z [Term] id: GO:0044283 name: small molecule biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of small molecules, any low molecular weight, monomeric, non-encoded molecule." [GOC:curators, GOC:pde, GOC:vw] comment: Small molecules in GO include monosaccharides but exclude disaccharides and polysaccharides. subset: prokaryote_subset synonym: "small molecule biosynthesis" EXACT [] is_a: GO:0009058 ! biosynthetic process is_a: GO:0044281 ! small molecule metabolic process created_by: jl creation_date: 2010-01-26T12:06:49Z [Term] id: GO:0044550 name: secondary metabolite biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon." [GOC:jl] subset: prokaryote_subset synonym: "secondary metabolite biosynthesis" EXACT [] is_a: GO:0009058 ! biosynthetic process is_a: GO:0019748 ! secondary metabolic process created_by: jl creation_date: 2012-03-29T01:55:18Z [Term] id: GO:0044877 name: protein-containing complex binding namespace: molecular_function alt_id: GO:0032403 def: "Binding to a macromolecular complex." [GOC:jl] subset: goslim_chembl synonym: "macromolecular complex binding" RELATED [] synonym: "protein complex binding" EXACT [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input GO:0032991 ! protein-containing complex relationship: has_input GO:0032991 ! protein-containing complex created_by: jl creation_date: 2014-12-16T11:38:58Z [Term] id: GO:0046112 name: nucleobase biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of a nucleobase, a nitrogenous base that is a constituent of a nucleic acid." [GOC:ai] synonym: "nucleobase anabolism" EXACT [] synonym: "nucleobase biosynthesis" EXACT [] synonym: "nucleobase formation" EXACT [] synonym: "nucleobase synthesis" EXACT [] is_a: GO:0009112 ! nucleobase metabolic process is_a: GO:0018130 ! heterocycle biosynthetic process is_a: GO:1901362 ! organic cyclic compound biosynthetic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:18282 ! nucleobase relationship: has_primary_output CHEBI:18282 ! nucleobase [Term] id: GO:0046148 name: pigment biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of a pigment, any general or particular coloring matter in living organisms, e.g. melanin." [ISBN:0198506732] synonym: "pigment anabolism" EXACT [] synonym: "pigment biosynthesis" EXACT [] synonym: "pigment formation" EXACT [] synonym: "pigment synthesis" EXACT [] is_a: GO:0042440 ! pigment metabolic process [Term] id: GO:0046165 name: alcohol biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of alcohols, any of a class of compounds containing one or more hydroxyl groups attached to a saturated carbon atom." [GOC:ai] synonym: "alcohol anabolism" EXACT [] synonym: "alcohol biosynthesis" EXACT [] synonym: "alcohol formation" EXACT [] synonym: "alcohol synthesis" EXACT [] is_a: GO:0006066 ! alcohol metabolic process is_a: GO:0044283 ! small molecule biosynthetic process is_a: GO:1901617 ! organic hydroxy compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:30879 ! alcohol relationship: has_primary_output CHEBI:30879 ! alcohol [Term] id: GO:0046184 name: aldehyde biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of aldehydes, any organic compound with the formula R-CH=O." [GOC:ai] synonym: "aldehyde anabolism" EXACT [] synonym: "aldehyde biosynthesis" EXACT [] synonym: "aldehyde formation" EXACT [] synonym: "aldehyde synthesis" EXACT [] is_a: GO:0006081 ! cellular aldehyde metabolic process is_a: GO:0044249 ! cellular biosynthetic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17478 ! aldehyde relationship: has_primary_output CHEBI:17478 ! aldehyde [Term] id: GO:0046189 name: phenol-containing compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of a phenol, any compound containing one or more hydroxyl groups directly attached to an aromatic carbon ring." [GOC:ai] synonym: "phenol-containing compound anabolism" EXACT [] synonym: "phenol-containing compound biosynthesis" EXACT [] synonym: "phenol-containing compound formation" EXACT [] synonym: "phenol-containing compound synthesis" EXACT [] is_a: GO:0018958 ! phenol-containing compound metabolic process is_a: GO:0019438 ! aromatic compound biosynthetic process is_a: GO:1901362 ! organic cyclic compound biosynthetic process is_a: GO:1901617 ! organic hydroxy compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33853 ! phenols relationship: has_primary_output CHEBI:33853 ! phenols [Term] id: GO:0046219 name: indolalkylamine biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of indolalkylamines, indole or indole derivatives containing a primary, secondary, or tertiary amine group." [GOC:curators] synonym: "indolalkylamine anabolism" EXACT [] synonym: "indolalkylamine biosynthesis" EXACT [] synonym: "indolalkylamine formation" EXACT [] synonym: "indolalkylamine synthesis" EXACT [] is_a: GO:0006586 ! indolalkylamine metabolic process is_a: GO:0042401 ! biogenic amine biosynthetic process is_a: GO:0042435 ! indole-containing compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:38631 ! aminoalkylindole relationship: has_primary_output CHEBI:38631 ! aminoalkylindole [Term] id: GO:0046246 name: terpene biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of terpenes, any of a large group of hydrocarbons made up of isoprene units." [GOC:ai] synonym: "terpene anabolism" EXACT [] synonym: "terpene biosynthesis" EXACT [] synonym: "terpene formation" EXACT [] synonym: "terpene synthesis" EXACT [] is_a: GO:0008299 ! isoprenoid biosynthetic process is_a: GO:0042214 ! terpene metabolic process is_a: GO:0120251 ! hydrocarbon biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:35186 ! terpene relationship: has_primary_output CHEBI:35186 ! terpene [Term] id: GO:0046349 name: amino sugar biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any amino sugar, sugars containing an amino group in place of a hydroxyl group." [GOC:curators] synonym: "amino sugar anabolism" EXACT [] synonym: "amino sugar biosynthesis" EXACT [] synonym: "amino sugar formation" EXACT [] synonym: "amino sugar synthesis" EXACT [] synonym: "aminosaccharide biosynthesis" EXACT [] synonym: "aminosaccharide biosynthetic process" EXACT [] is_a: GO:0006040 ! amino sugar metabolic process is_a: GO:1901137 ! carbohydrate derivative biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:28963 ! amino sugar relationship: has_primary_output CHEBI:28963 ! amino sugar [Term] id: GO:0046358 name: butyrate biosynthetic process namespace: biological_process alt_id: GO:0043439 def: "The chemical reactions and pathways resulting in the formation of butyrate, the anion of butyric acid." [ISBN:0198506732] synonym: "butanoic acid anabolism" EXACT [] synonym: "butanoic acid biosynthesis" EXACT [] synonym: "butanoic acid biosynthetic process" EXACT [] synonym: "butanoic acid formation" EXACT [] synonym: "butanoic acid synthesis" EXACT [] synonym: "butyrate anabolism" EXACT [] synonym: "butyrate biosynthesis" EXACT [] synonym: "butyrate formation" EXACT [] synonym: "butyrate synthesis" EXACT [] is_a: GO:0019605 ! butyrate metabolic process is_a: GO:0051790 ! short-chain fatty acid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17968 ! butyrate relationship: has_primary_output CHEBI:17968 ! butyrate [Term] id: GO:0046364 name: monosaccharide biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of monosaccharides, polyhydric alcohols containing either an aldehyde or a keto group and between three to ten or more carbon atoms." [ISBN:0198506732] synonym: "monosaccharide anabolism" EXACT [] synonym: "monosaccharide biosynthesis" EXACT [] synonym: "monosaccharide formation" EXACT [] synonym: "monosaccharide synthesis" EXACT [] is_a: GO:0005996 ! monosaccharide metabolic process is_a: GO:0016051 ! carbohydrate biosynthetic process is_a: GO:0044283 ! small molecule biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:35381 ! monosaccharide relationship: has_primary_output CHEBI:35381 ! monosaccharide [Term] id: GO:0046394 name: carboxylic acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of carboxylic acids, any organic acid containing one or more carboxyl (-COOH) groups." [ISBN:0198506732] synonym: "carboxylic acid anabolism" EXACT [] synonym: "carboxylic acid biosynthesis" EXACT [] synonym: "carboxylic acid formation" EXACT [] synonym: "carboxylic acid synthesis" EXACT [] is_a: GO:0016053 ! organic acid biosynthetic process is_a: GO:0019752 ! carboxylic acid metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:29067 ! carboxylic acid anion relationship: has_primary_output CHEBI:29067 ! carboxylic acid anion [Term] id: GO:0046459 name: short-chain fatty acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving fatty acids with a chain length of less than C6." [Wikipedia:Fatty_acid_metabolism] synonym: "short-chain fatty acid metabolism" EXACT [] is_a: GO:0006631 ! fatty acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:58951 ! short-chain fatty acid anion relationship: has_primary_input_or_output CHEBI:58951 ! short-chain fatty acid anion [Term] id: GO:0046483 name: heterocycle metabolic process namespace: biological_process def: "The chemical reactions and pathways involving heterocyclic compounds, those with a cyclic molecular structure and at least two different atoms in the ring (or rings)." [ISBN:0198506732] subset: goslim_pir synonym: "heterocycle metabolism" EXACT [] is_a: GO:0044237 ! cellular metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:5686 ! heterocyclic compound relationship: has_primary_input_or_output CHEBI:5686 ! heterocyclic compound [Term] id: GO:0046872 name: metal ion binding namespace: molecular_function def: "Binding to a metal ion." [GOC:ai] subset: goslim_agr subset: goslim_drosophila subset: goslim_flybase_ribbon subset: goslim_metagenomics synonym: "heavy metal binding" NARROW [] synonym: "metal binding" EXACT [] is_a: GO:0043169 ! cation binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:25213 ! metal cation relationship: has_input CHEBI:25213 ! metal cation [Term] id: GO:0046914 name: transition metal ion binding namespace: molecular_function def: "Binding to a transition metal ions; a transition metal is an element whose atom has an incomplete d-subshell of extranuclear electrons, or which gives rise to a cation or cations with an incomplete d-subshell. Transition metals often have more than one valency state. Biologically relevant transition metals include vanadium, manganese, iron, copper, cobalt, nickel, molybdenum and silver." [ISBN:0198506732] is_a: GO:0046872 ! metal ion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33515 ! transition element cation relationship: has_input CHEBI:33515 ! transition element cation [Term] id: GO:0048029 name: monosaccharide binding namespace: molecular_function def: "Binding to a monosaccharide. Monosaccharides are the simplest carbohydrates; they are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H[CHOH]nC(=O)[CHOH]mH with three or more carbon atoms. They form the constitutional repeating units of oligo- and polysaccharides." [GOC:jid] is_a: GO:0030246 ! carbohydrate binding is_a: GO:0036094 ! small molecule binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:35381 ! monosaccharide relationship: has_input CHEBI:35381 ! monosaccharide [Term] id: GO:0048306 name: calcium-dependent protein binding namespace: molecular_function def: "Binding to a protein or protein complex in the presence of calcium." [GOC:jid, PMID:10485905] is_a: GO:0005515 ! protein binding intersection_of: GO:0005515 ! protein binding intersection_of: has_part GO:0005509 ! calcium ion binding relationship: has_part GO:0005509 ! calcium ion binding [Term] id: GO:0050896 name: response to stimulus namespace: biological_process alt_id: GO:0051869 def: "Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus. The process begins with detection of the stimulus and ends with a change in state or activity or the cell or organism." [GOC:ai, GOC:bf] comment: Note that this term is in the subset of terms that should not be used for direct gene product annotation. Instead, select a child term or, if no appropriate child term exists, please request a new term. Direct annotations to this term may be amended during annotation QC. subset: gocheck_do_not_manually_annotate subset: goslim_agr subset: goslim_flybase_ribbon subset: goslim_mouse subset: goslim_pir synonym: "physiological response to stimulus" EXACT [] is_a: GO:0008150 ! biological_process [Term] id: GO:0051081 name: nuclear membrane disassembly namespace: biological_process def: "The controlled breakdown of the nuclear membranes, for example during cellular division." [GOC:ai] synonym: "nuclear envelope breakdown" RELATED [] synonym: "nuclear envelope catabolism" RELATED [] synonym: "nuclear envelope degradation" RELATED [] synonym: "nuclear envelope disassembly" RELATED [] is_a: GO:0030397 ! membrane disassembly is_a: GO:0071763 ! nuclear membrane organization intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:0031965 ! nuclear membrane relationship: results_in_disassembly_of GO:0031965 ! nuclear membrane [Term] id: GO:0051378 name: serotonin binding namespace: molecular_function def: "Binding to serotonin (5-hydroxytryptamine), a monoamine neurotransmitter occurring in the peripheral and central nervous systems, also having hormonal properties." [GOC:ai] synonym: "5-hydroxytryptamine binding" EXACT [] is_a: GO:0043169 ! cation binding is_a: GO:0043176 ! amine binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:350546 ! serotonin(1+) relationship: has_input CHEBI:350546 ! serotonin(1+) [Term] id: GO:0051379 name: epinephrine binding namespace: molecular_function def: "Binding to epinephrine, a hormone produced by the medulla of the adrenal glands that increases heart activity, improves the power and prolongs the action of muscles, and increases the rate and depth of breathing. It is synthesized by the methylation of norepinephrine." [GOC:ai] synonym: "adrenaline binding" EXACT [] is_a: GO:1901338 ! catecholamine binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33568 ! adrenaline relationship: has_input CHEBI:33568 ! adrenaline [Term] id: GO:0051381 name: histamine binding namespace: molecular_function def: "Binding to histamine, a physiologically active amine, found in plant and animal tissue and released from mast cells as part of an allergic reaction in humans." [GOC:ai] is_a: GO:0043169 ! cation binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:58432 ! histaminium relationship: has_input CHEBI:58432 ! histaminium [Term] id: GO:0051790 name: short-chain fatty acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of fatty acids with a chain length of less than C6." [Wikipedia:Fatty_acid_metabolism] synonym: "short chain fatty acid biosynthesis" EXACT [] synonym: "short chain fatty acid biosynthetic process" EXACT [] synonym: "short-chain fatty acid anabolism" EXACT [] synonym: "short-chain fatty acid biosynthesis" EXACT [] synonym: "short-chain fatty acid formation" EXACT [] synonym: "short-chain fatty acid synthesis" EXACT [] is_a: GO:0006633 ! fatty acid biosynthetic process is_a: GO:0046459 ! short-chain fatty acid metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:58951 ! short-chain fatty acid anion relationship: has_primary_output CHEBI:58951 ! short-chain fatty acid anion [Term] id: GO:0052803 name: imidazole-containing compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving imidazoles, five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton." [GOC:curators] synonym: "imidazole metabolism" EXACT [] is_a: GO:0006725 ! cellular aromatic compound metabolic process is_a: GO:0034641 ! cellular nitrogen compound metabolic process is_a: GO:0046483 ! heterocycle metabolic process is_a: GO:1901360 ! organic cyclic compound metabolic process is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24780 ! imidazoles relationship: has_primary_input_or_output CHEBI:24780 ! imidazoles [Term] id: GO:0055086 name: nucleobase-containing small molecule metabolic process namespace: biological_process def: "The cellular chemical reactions and pathways involving a nucleobase-containing small molecule: a nucleobase, a nucleoside, or a nucleotide." [GOC:vw] subset: goslim_drosophila subset: goslim_generic subset: goslim_pombe subset: goslim_yeast subset: prokaryote_subset synonym: "nucleobase, nucleoside and nucleotide metabolic process" RELATED [] synonym: "nucleobase, nucleoside and nucleotide metabolism" EXACT [] is_a: GO:0006139 ! nucleobase-containing compound metabolic process is_a: GO:0044281 ! small molecule metabolic process [Term] id: GO:0061024 name: membrane organization namespace: biological_process alt_id: GO:0016044 alt_id: GO:0044802 def: "A process which results in the assembly, arrangement of constituent parts, or disassembly of a membrane. A membrane is a double layer of lipid molecules that encloses all cells, and, in eukaryotes, many organelles; may be a single or double lipid bilayer; also includes associated proteins." [GOC:dph, GOC:tb] subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_pir subset: goslim_pombe subset: prokaryote_subset synonym: "cellular membrane organisation" EXACT [] synonym: "cellular membrane organization" EXACT [] synonym: "membrane organisation" EXACT [GOC:mah] synonym: "membrane organization and biogenesis" RELATED [GOC:mah] synonym: "single-organism membrane organization" RELATED [] is_a: GO:0016043 ! cellular component organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0016020 ! membrane relationship: results_in_organization_of GO:0016020 ! membrane created_by: jl creation_date: 2010-02-08T02:43:11Z [Term] id: GO:0061370 name: testosterone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of testosterone, an androgen having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4 C-5." [GOC:dph, GOC:yaf] is_a: GO:0006694 ! steroid biosynthetic process is_a: GO:0042181 ! ketone biosynthetic process is_a: GO:0120255 ! olefinic compound biosynthetic process is_a: GO:1901617 ! organic hydroxy compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17347 ! testosterone relationship: has_primary_output CHEBI:17347 ! testosterone created_by: dph creation_date: 2010-10-27T02:50:48Z [Term] id: GO:0061695 name: transferase complex, transferring phosphorus-containing groups namespace: cellular_component def: "A transferase complex capable of catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor)." [GOC:bhm, GOC:dph] is_a: GO:1990234 ! transferase complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: capable_of GO:0016772 ! transferase activity, transferring phosphorus-containing groups relationship: capable_of GO:0016772 ! transferase activity, transferring phosphorus-containing groups created_by: dph creation_date: 2015-05-06T11:22:38Z [Term] id: GO:0065003 name: protein-containing complex assembly namespace: biological_process alt_id: GO:0006461 alt_id: GO:0034622 alt_id: GO:0043623 def: "The aggregation, arrangement and bonding together of a set of macromolecules to form a protein-containing complex." [GOC:jl] subset: goslim_chembl subset: goslim_drosophila subset: goslim_generic subset: goslim_metagenomics subset: goslim_pir subset: goslim_pombe subset: prokaryote_subset synonym: "cellular macromolecule complex assembly" RELATED [] synonym: "cellular protein complex assembly" EXACT [] synonym: "cellular protein-containing complex assembly" RELATED [] synonym: "chaperone activity" RELATED [] synonym: "macromolecular complex assembly" RELATED [] synonym: "macromolecule complex assembly" RELATED [] synonym: "protein complex assembly" RELATED [] synonym: "protein complex formation" RELATED [] is_a: GO:0022607 ! cellular component assembly is_a: GO:0043933 ! protein-containing complex organization intersection_of: GO:0022607 ! cellular component assembly intersection_of: results_in_assembly_of GO:0032991 ! protein-containing complex relationship: results_in_assembly_of GO:0032991 ! protein-containing complex property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/22580 xsd:anyURI [Term] id: GO:0070405 name: ammonium ion binding namespace: molecular_function def: "Binding to ammonium ions (NH4+)." [CHEBI:28938, GOC:ecd] synonym: "ammonium binding" RELATED [] is_a: GO:0043169 ! cation binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:28938 ! ammonium relationship: has_input CHEBI:28938 ! ammonium [Term] id: GO:0070925 name: organelle assembly namespace: biological_process def: "The aggregation, arrangement and bonding together of a set of components to form an organelle. An organelle is an organized structure of distinctive morphology and function. Includes the nucleus, mitochondria, plastids, vacuoles, vesicles, ribosomes and the cytoskeleton. Excludes the plasma membrane." [GOC:mah] subset: goslim_yeast is_a: GO:0006996 ! organelle organization is_a: GO:0022607 ! cellular component assembly intersection_of: GO:0022607 ! cellular component assembly intersection_of: results_in_assembly_of GO:0043226 ! organelle relationship: results_in_assembly_of GO:0043226 ! organelle created_by: mah creation_date: 2009-09-15T03:00:51Z [Term] id: GO:0071704 name: organic substance metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an organic substance, any molecular entity containing carbon." [GOC:mah] synonym: "organic molecular entity metabolic process" EXACT [] synonym: "organic molecular entity metabolism" EXACT [] synonym: "organic substance metabolism" EXACT [] is_a: GO:0008152 ! metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:50860 ! organic molecular entity relationship: has_primary_input_or_output CHEBI:50860 ! organic molecular entity created_by: mah creation_date: 2010-03-08T03:32:18Z [Term] id: GO:0071709 name: membrane assembly namespace: biological_process def: "The aggregation, arrangement and bonding together of a set of components to form a membrane." [GOC:mah] is_a: GO:0022607 ! cellular component assembly is_a: GO:0061024 ! membrane organization intersection_of: GO:0022607 ! cellular component assembly intersection_of: results_in_assembly_of GO:0016020 ! membrane relationship: part_of GO:0044091 ! membrane biogenesis relationship: results_in_assembly_of GO:0016020 ! membrane created_by: mah creation_date: 2010-03-10T11:19:17Z [Term] id: GO:0071763 name: nuclear membrane organization namespace: biological_process def: "A process that is carried out at the cellular level which results in the assembly, arrangement of constituent parts, or disassembly of the nuclear inner or outer membrane." [GOC:mah] synonym: "nuclear membrane organisation" EXACT [GOC:mah] synonym: "nuclear membrane organization and biogenesis" RELATED [GOC:mah] is_a: GO:0061024 ! membrane organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:0031965 ! nuclear membrane relationship: part_of GO:0006998 ! nuclear envelope organization relationship: results_in_organization_of GO:0031965 ! nuclear membrane created_by: mah creation_date: 2010-03-29T03:59:35Z [Term] id: GO:0071826 name: ribonucleoprotein complex subunit organization namespace: biological_process def: "Any process in which macromolecules aggregate, disaggregate, or are modified, resulting in the formation, disassembly, or alteration of a ribonucleoprotein complex." [GOC:mah] synonym: "protein-RNA complex subunit organization" EXACT [GOC:mah] synonym: "ribonucleoprotein complex subunit organisation" EXACT [GOC:mah] synonym: "RNA-protein complex subunit organization" EXACT [GOC:mah] is_a: GO:0043933 ! protein-containing complex organization intersection_of: GO:0016043 ! cellular component organization intersection_of: results_in_organization_of GO:1990904 ! ribonucleoprotein complex relationship: results_in_organization_of GO:1990904 ! ribonucleoprotein complex created_by: mah creation_date: 2010-09-08T10:10:35Z [Term] id: GO:0071840 name: cellular component organization or biogenesis namespace: biological_process alt_id: GO:0071841 def: "A process that results in the biosynthesis of constituent macromolecules, assembly, arrangement of constituent parts, or disassembly of a cellular component." [GOC:mah] subset: goslim_flybase_ribbon subset: goslim_metagenomics synonym: "cellular component organisation or biogenesis" EXACT [GOC:mah] synonym: "cellular component organisation or biogenesis at cellular level" EXACT [GOC:mah] synonym: "cellular component organization or biogenesis at cellular level" EXACT [] is_a: GO:0009987 ! cellular process created_by: mah creation_date: 2010-09-10T01:39:16Z [Term] id: GO:0071890 name: bicarbonate binding namespace: molecular_function def: "Binding to bicarbonate ions (CHO3-)." [GOC:curators] synonym: "CHO3- ion binding binding" EXACT [] synonym: "hydrogencarbonate binding" EXACT [CHEBI:17544] is_a: GO:0043168 ! anion binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:17544 ! hydrogencarbonate relationship: has_input CHEBI:17544 ! hydrogencarbonate created_by: mah creation_date: 2010-09-14T01:47:43Z [Term] id: GO:0071944 name: cell periphery namespace: cellular_component def: "The part of a cell encompassing the cell cortex, the plasma membrane, and any external encapsulating structures." [GOC:mah] subset: goslim_flybase_ribbon is_a: GO:0110165 ! cellular anatomical entity created_by: mah creation_date: 2010-10-04T01:51:47Z [Term] id: GO:0072330 name: monocarboxylic acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group." [GOC:mah] synonym: "monocarboxylic acid anabolism" EXACT [GOC:mah] synonym: "monocarboxylic acid biosynthesis" EXACT [GOC:mah] synonym: "monocarboxylic acid formation" EXACT [GOC:mah] synonym: "monocarboxylic acid synthesis" EXACT [GOC:mah] is_a: GO:0032787 ! monocarboxylic acid metabolic process is_a: GO:0046394 ! carboxylic acid biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:35757 ! monocarboxylic acid anion relationship: has_primary_output CHEBI:35757 ! monocarboxylic acid anion created_by: mah creation_date: 2010-11-02T04:51:32Z [Term] id: GO:0072592 name: oxygen metabolic process namespace: biological_process def: "The chemical reactions and pathways involving diatomic oxygen (O2)." [GOC:mah] synonym: "diatomic oxygen metabolic process" EXACT [CHEBI:33263] synonym: "oxygen metabolism" EXACT [GOC:mah] is_a: GO:0044237 ! cellular metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:15379 ! dioxygen relationship: has_primary_input_or_output CHEBI:15379 ! dioxygen created_by: mah creation_date: 2011-02-11T10:46:51Z [Term] id: GO:0090304 name: nucleic acid metabolic process namespace: biological_process def: "Any cellular metabolic process involving nucleic acids." [GOC:dph, GOC:tb] is_a: GO:0006139 ! nucleobase-containing compound metabolic process is_a: GO:0043170 ! macromolecule metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33696 ! nucleic acid relationship: has_primary_input_or_output CHEBI:33696 ! nucleic acid created_by: tb creation_date: 2010-04-07T10:18:47Z [Term] id: GO:0090407 name: organophosphate biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the biosynthesis of deoxyribose phosphate, the phosphorylated sugar 2-deoxy-erythro-pentose." [GOC:chem_mtg] is_a: GO:0019637 ! organophosphate metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:25710 ! organophosphorus compound relationship: has_primary_output CHEBI:25710 ! organophosphorus compound created_by: tb creation_date: 2011-02-26T02:22:41Z [Term] id: GO:0097159 name: organic cyclic compound binding namespace: molecular_function def: "Binding to an organic cyclic compound, any molecular entity that contains carbon arranged in a cyclic molecular structure." [GOC:sjw, PMID:7583672] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33832 ! organic cyclic compound relationship: has_input CHEBI:33832 ! organic cyclic compound created_by: pr creation_date: 2011-09-23T02:31:01Z [Term] id: GO:0097164 name: ammonium ion metabolic process namespace: biological_process def: "The chemical reactions and pathways involving the ammonium ion." [GOC:dhl, GOC:tb, PMID:14671018] synonym: "ammonium ion metabolism" EXACT [] synonym: "ammonium metabolic process" RELATED [] is_a: GO:0006807 ! nitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:28938 ! ammonium relationship: has_primary_input_or_output CHEBI:28938 ! ammonium created_by: pr creation_date: 2011-09-28T04:21:30Z [Term] id: GO:0097367 name: carbohydrate derivative binding namespace: molecular_function def: "Binding to a carbohydrate derivative." [GOC:pr] subset: goslim_agr subset: goslim_mouse is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:63299 ! carbohydrate derivative relationship: has_input CHEBI:63299 ! carbohydrate derivative created_by: pr creation_date: 2012-08-02T13:03:39Z [Term] id: GO:0098590 name: plasma membrane region namespace: cellular_component def: "A membrane that is a (regional) part of the plasma membrane." [GOC:dos] comment: Note that this term should not be used for direct manual annotation as it should always be possible to choose a more specific subclass. subset: gocheck_do_not_manually_annotate synonym: "region of plasma membrane" EXACT [] is_a: GO:0016020 ! membrane intersection_of: GO:0016020 ! membrane intersection_of: part_of GO:0005886 ! plasma membrane relationship: part_of GO:0005886 ! plasma membrane created_by: dos creation_date: 2014-03-06T11:55:32Z [Term] id: GO:0098772 name: molecular function regulator activity namespace: molecular_function def: "A molecular function regulator regulates the activity of its target via non-covalent binding that does not result in covalent modification to the target. Examples of molecular function regulators include regulatory subunits of multimeric enzymes and channels. Mechanisms of regulation include allosteric changes in the target and competitive inhibition." [GOC:dos, GOC:pt] subset: gocheck_do_not_annotate subset: goslim_flybase_ribbon subset: goslim_generic subset: prokaryote_subset synonym: "molecular function regulator" EXACT [] is_a: GO:0003674 ! molecular_function intersection_of: GO:0003674 ! molecular_function intersection_of: regulates GO:0003674 ! molecular_function relationship: has_part GO:0005515 ! protein binding relationship: regulates GO:0003674 ! molecular_function property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/20854 xsd:anyURI property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/20862 xsd:anyURI [Term] id: GO:0098796 name: membrane protein complex namespace: cellular_component def: "Any protein complex that is part of a membrane." [GOC:dos] subset: goslim_metagenomics is_a: GO:0032991 ! protein-containing complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: part_of GO:0016020 ! membrane relationship: part_of GO:0016020 ! membrane [Term] id: GO:0098797 name: plasma membrane protein complex namespace: cellular_component def: "Any protein complex that is part of the plasma membrane." [GOC:dos] is_a: GO:0098796 ! membrane protein complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: part_of GO:0005886 ! plasma membrane relationship: part_of GO:0005886 ! plasma membrane [Term] id: GO:0099568 name: cytoplasmic region namespace: cellular_component def: "Any (proper) part of the cytoplasm of a single cell of sufficient size to still be considered cytoplasm." [GOC:dos] subset: gocheck_do_not_annotate is_a: GO:0005737 ! cytoplasm intersection_of: GO:0005737 ! cytoplasm intersection_of: part_of GO:0005737 ! cytoplasm relationship: part_of GO:0005737 ! cytoplasm [Term] id: GO:0099738 name: cell cortex region namespace: cellular_component def: "The complete extent of cell cortex that underlies some some region of the plasma membrane." [GOC:dos] subset: gocheck_do_not_annotate synonym: "perimembrane region" EXACT [] is_a: GO:0005938 ! cell cortex is_a: GO:0099568 ! cytoplasmic region intersection_of: GO:0005938 ! cell cortex intersection_of: part_of GO:0005938 ! cell cortex relationship: part_of GO:0005938 ! cell cortex [Term] id: GO:0101025 name: nuclear membrane biogenesis namespace: biological_process def: "The process in which a nuclear membrane is synthesized, aggregates, and bonds together." [GOC:vw] is_a: GO:0044091 ! membrane biogenesis intersection_of: GO:0044085 ! cellular component biogenesis intersection_of: has_output GO:0031965 ! nuclear membrane relationship: has_output GO:0031965 ! nuclear membrane relationship: part_of GO:0071763 ! nuclear membrane organization [Term] id: GO:0110165 name: cellular anatomical entity namespace: cellular_component def: "A part of a cellular organism that is either an immaterial entity or a material entity with granularity above the level of a protein complex but below that of an anatomical system. Or, a substance produced by a cellular organism with granularity above the level of a protein complex." [GOC:kmv] is_a: CARO:0000000 ! anatomical entity is_a: GO:0005575 ! cellular_component created_by: kmv creation_date: 2019-08-12T18:01:37Z [Term] id: GO:0120178 name: steroid hormone biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of any steroid hormone, naturally occurring substances secreted by specialized cells that affects the metabolism or behavior of other cells possessing functional receptors for the hormone." [GOC:krc, GOC:nln] is_a: GO:0006694 ! steroid biosynthetic process intersection_of: GO:0006694 ! steroid biosynthetic process intersection_of: has_output CHEBI:26764 ! steroid hormone relationship: has_output CHEBI:26764 ! steroid hormone property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/16000 xsd:anyURI created_by: krc creation_date: 2019-05-20T22:34:00Z [Term] id: GO:0120251 name: hydrocarbon biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of a hydrocarbon, a compound consisting of carbon and hydrogen only." [GOC:krc, Wikipedia:Hydrocarbon] synonym: "hydrocarbon anabolism" EXACT [GOC:krc] synonym: "hydrocarbon biosynthesis" EXACT [GOC:krc] synonym: "hydrocarbon formation" EXACT [GOC:krc] synonym: "hydrocarbon synthesis" EXACT [GOC:krc] is_a: GO:0120252 ! hydrocarbon metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:24632 ! hydrocarbon relationship: has_primary_output CHEBI:24632 ! hydrocarbon property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/19842 xsd:anyURI created_by: krc creation_date: 2020-09-02T20:35:53Z [Term] id: GO:0120252 name: hydrocarbon metabolic process namespace: biological_process def: "The chemical reactions and pathways involving a hydrocarbon, a compound consisting of carbon and hydrogen only." [GOC:krc, Wikipedia:Hydrocarbon] synonym: "hydrocarbon metabolism" EXACT [GOC:krc] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24632 ! hydrocarbon relationship: has_primary_input_or_output CHEBI:24632 ! hydrocarbon property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/19842 xsd:anyURI created_by: krc creation_date: 2020-09-02T20:47:28Z [Term] id: GO:0120254 name: olefinic compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C)." [GOC:krc] synonym: "alkene substituted compound metabolic process" EXACT [] synonym: "alkene substituted compound metabolism" EXACT [] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:78840 ! olefinic compound relationship: has_primary_input_or_output CHEBI:78840 ! olefinic compound property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/19936 xsd:anyURI created_by: krc creation_date: 2020-09-02T23:13:44Z [Term] id: GO:0120255 name: olefinic compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an olefinic compound, any compound which contains a carbon-carbon double bond (aka C=C)." [GOC:krc] synonym: "alkene substituted compound anabolic process" EXACT [GOC:krc] synonym: "alkene substituted compound anabolism" EXACT [GOC:krc] synonym: "alkene substituted compound biosynthesis" EXACT [GOC:krc] synonym: "alkene substituted compound biosynthetic process" EXACT [GOC:krc] synonym: "alkene substituted compound synthesis" EXACT [GOC:krc] is_a: GO:0120254 ! olefinic compound metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:78840 ! olefinic compound relationship: has_primary_output CHEBI:78840 ! olefinic compound property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/19936 xsd:anyURI created_by: krc creation_date: 2020-09-02T23:30:20Z [Term] id: GO:0140096 name: catalytic activity, acting on a protein namespace: molecular_function def: "Catalytic activity that acts to modify a protein." [GOC:molecular_function_refactoring, GOC:pdt] subset: goslim_generic subset: prokaryote_subset is_a: GO:0003824 ! catalytic activity intersection_of: GO:0003824 ! catalytic activity intersection_of: has_input PR:000000001 ! protein relationship: has_input PR:000000001 ! protein property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/14225 xsd:anyURI created_by: pg creation_date: 2017-09-14T10:32:59Z [Term] id: GO:0140098 name: catalytic activity, acting on RNA namespace: molecular_function def: "Catalytic activity that acts to modify RNA, driven by ATP hydrolysis." [GOC:molecular_function_refactoring, GOC:pdt] subset: goslim_generic subset: prokaryote_subset is_a: GO:0140640 ! catalytic activity, acting on a nucleic acid intersection_of: GO:0003824 ! catalytic activity intersection_of: has_input CHEBI:33697 ! ribonucleic acid relationship: has_input CHEBI:33697 ! ribonucleic acid property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/14225 xsd:anyURI property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/21612 xsd:anyURI created_by: pg creation_date: 2017-09-14T12:05:21Z [Term] id: GO:0140103 name: catalytic activity, acting on a glycoprotein namespace: molecular_function def: "Catalysis of a biochemical reaction at physiological temperatures in which one of the substrates is a glycoprotein." [GOC:molecular_function_refactoring, GOC:pdt] is_a: GO:0140096 ! catalytic activity, acting on a protein intersection_of: GO:0003824 ! catalytic activity intersection_of: has_input CHEBI:17089 ! glycoprotein relationship: has_input CHEBI:17089 ! glycoprotein property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/14225 xsd:anyURI created_by: pg creation_date: 2017-09-15T19:27:54Z [Term] id: GO:0140513 name: nuclear protein-containing complex namespace: cellular_component def: "A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together in the nucleus." [GOC:pg] subset: gocheck_do_not_annotate synonym: "nuclear complex" EXACT [] is_a: GO:0032991 ! protein-containing complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: part_of GO:0005634 ! nucleus relationship: part_of GO:0005634 ! nucleus created_by: pg creation_date: 2020-09-09T05:12:38Z [Term] id: GO:0140640 name: catalytic activity, acting on a nucleic acid namespace: molecular_function def: "Catalytic activity that acts to modify a nucleic acid." [GOC:pg] is_a: GO:0003824 ! catalytic activity intersection_of: GO:0003824 ! catalytic activity intersection_of: has_input CHEBI:33696 ! nucleic acid relationship: has_input CHEBI:33696 ! nucleic acid property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/21402 xsd:anyURI created_by: pg creation_date: 2021-05-11T06:31:07Z [Term] id: GO:0140677 name: molecular function activator activity namespace: molecular_function def: "A molecular function regulator that activates or increases the activity of its target via non-covalent binding that does not result in covalent modification to the target." [GOC:curators] is_a: GO:0098772 ! molecular function regulator activity intersection_of: GO:0098772 ! molecular function regulator activity intersection_of: positively_regulates GO:0003674 ! molecular_function relationship: positively_regulates GO:0003674 ! molecular_function property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/21782 xsd:anyURI created_by: pg creation_date: 2021-07-07T07:24:16Z [Term] id: GO:0140678 name: molecular function inhibitor activity namespace: molecular_function def: "A molecular function regulator that inhibits or decreases the activity of its target via non-covalent binding that does not result in covalent modification to the target." [GOC:curators] is_a: GO:0098772 ! molecular function regulator activity intersection_of: GO:0098772 ! molecular function regulator activity intersection_of: negatively_regulates GO:0003674 ! molecular_function relationship: negatively_regulates GO:0003674 ! molecular_function property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/21782 xsd:anyURI created_by: pg creation_date: 2021-07-07T07:24:32Z [Term] id: GO:0150005 name: enzyme activator complex namespace: cellular_component def: "A protein complex capable of activating an enzyme. Activating subunits may dissociate from the catalytic unit before the enzyme is active." [GOC:bhm, PMID:16244137, PMID:28710280] is_a: GO:0032991 ! protein-containing complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: capable_of GO:0008047 ! enzyme activator activity relationship: capable_of GO:0008047 ! enzyme activator activity [Term] id: GO:1900619 name: acetate ester metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid." [GOC:TermGenie] synonym: "acetate ester metabolism" EXACT [GOC:TermGenie] synonym: "acetyl ester metabolic process" EXACT [CHEBI:47622] synonym: "acetyl ester metabolism" EXACT [CHEBI:47622] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:47622 ! acetate ester relationship: has_primary_input_or_output CHEBI:47622 ! acetate ester created_by: bf creation_date: 2012-05-16T12:29:51Z [Term] id: GO:1900620 name: acetate ester biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an acetate esteran acetate ester, any carboxylic ester where the carboxylic acid component is acetic acid." [GOC:TermGenie, PMID:15042596] synonym: "acetate ester anabolism" EXACT [GOC:TermGenie] synonym: "acetate ester biosynthesis" EXACT [GOC:TermGenie] synonym: "acetate ester formation" EXACT [GOC:TermGenie] synonym: "acetate ester synthesis" EXACT [GOC:TermGenie] synonym: "acetyl ester biosynthesis" EXACT [CHEBI:47622] synonym: "acetyl ester biosynthetic process" EXACT [CHEBI:47622] is_a: GO:1900619 ! acetate ester metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:47622 ! acetate ester relationship: has_primary_output CHEBI:47622 ! acetate ester created_by: bf creation_date: 2012-05-16T12:30:12Z [Term] id: GO:1901071 name: glucosamine-containing compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving glucosamine-containing compounds (glucosamines)." [GOC:TermGenie] synonym: "glucosamine-containing compound metabolism" EXACT [GOC:bf] synonym: "glucosamines metabolic process" EXACT [CHEBI:24271] synonym: "glucosamines metabolism" EXACT [GOC:TermGenie] is_a: GO:0006040 ! amino sugar metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:24271 ! glucosamines relationship: has_primary_input_or_output CHEBI:24271 ! glucosamines created_by: bf creation_date: 2012-07-02T03:18:04Z [Term] id: GO:1901073 name: glucosamine-containing compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of glucosamine-containing compounds (glucosamines)." [GOC:TermGenie] synonym: "glucosamine-containing compound anabolism" EXACT [GOC:bf] synonym: "glucosamine-containing compound biosynthesis" EXACT [GOC:bf] synonym: "glucosamine-containing compound formation" EXACT [GOC:bf] synonym: "glucosamine-containing compound synthesis" EXACT [GOC:bf] synonym: "glucosamines anabolism" EXACT [GOC:TermGenie] synonym: "glucosamines biosynthesis" EXACT [GOC:TermGenie] synonym: "glucosamines biosynthetic process" EXACT [CHEBI:24271] synonym: "glucosamines formation" EXACT [GOC:TermGenie] synonym: "glucosamines synthesis" EXACT [GOC:TermGenie] is_a: GO:0046349 ! amino sugar biosynthetic process is_a: GO:1901071 ! glucosamine-containing compound metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:24271 ! glucosamines relationship: has_primary_output CHEBI:24271 ! glucosamines created_by: bf creation_date: 2012-07-02T03:18:33Z [Term] id: GO:1901135 name: carbohydrate derivative metabolic process namespace: biological_process def: "The chemical reactions and pathways involving carbohydrate derivative." [GOC:TermGenie] subset: goslim_agr subset: goslim_generic subset: goslim_mouse subset: prokaryote_subset synonym: "carbohydrate derivative metabolism" EXACT [GOC:TermGenie] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:63299 ! carbohydrate derivative relationship: has_primary_input_or_output CHEBI:63299 ! carbohydrate derivative created_by: bf creation_date: 2012-07-12T04:05:09Z [Term] id: GO:1901137 name: carbohydrate derivative biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of carbohydrate derivative." [GOC:TermGenie] synonym: "carbohydrate derivative anabolism" EXACT [GOC:TermGenie] synonym: "carbohydrate derivative biosynthesis" EXACT [GOC:TermGenie] synonym: "carbohydrate derivative formation" EXACT [GOC:TermGenie] synonym: "carbohydrate derivative synthesis" EXACT [GOC:TermGenie] is_a: GO:1901135 ! carbohydrate derivative metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:63299 ! carbohydrate derivative relationship: has_primary_output CHEBI:63299 ! carbohydrate derivative created_by: bf creation_date: 2012-07-12T04:05:39Z [Term] id: GO:1901160 name: primary amino compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving primary amino compound." [GOC:TermGenie] synonym: "primary amino compound metabolism" EXACT [GOC:TermGenie] is_a: GO:1901564 ! organonitrogen compound metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:50994 ! primary amino compound relationship: has_primary_input_or_output CHEBI:50994 ! primary amino compound created_by: bf creation_date: 2012-07-18T04:44:39Z [Term] id: GO:1901162 name: primary amino compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of primary amino compound." [GOC:TermGenie] synonym: "primary amino compound anabolism" EXACT [GOC:TermGenie] synonym: "primary amino compound biosynthesis" EXACT [GOC:TermGenie] synonym: "primary amino compound formation" EXACT [GOC:TermGenie] synonym: "primary amino compound synthesis" EXACT [GOC:TermGenie] is_a: GO:1901160 ! primary amino compound metabolic process is_a: GO:1901566 ! organonitrogen compound biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:50994 ! primary amino compound relationship: has_primary_output CHEBI:50994 ! primary amino compound created_by: bf creation_date: 2012-07-18T04:45:14Z [Term] id: GO:1901338 name: catecholamine binding namespace: molecular_function def: "Binding to catecholamine." [GOC:TermGenie] is_a: GO:0097159 ! organic cyclic compound binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:33567 ! catecholamine relationship: has_input CHEBI:33567 ! catecholamine created_by: bf creation_date: 2012-09-03T14:08:44Z [Term] id: GO:1901360 name: organic cyclic compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organic cyclic compound." [GOC:TermGenie] synonym: "organic cyclic compound metabolism" EXACT [GOC:TermGenie] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33832 ! organic cyclic compound relationship: has_primary_input_or_output CHEBI:33832 ! organic cyclic compound created_by: bf creation_date: 2012-09-14T09:03:51Z [Term] id: GO:1901362 name: organic cyclic compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of organic cyclic compound." [GOC:TermGenie] synonym: "organic cyclic compound anabolism" EXACT [GOC:TermGenie] synonym: "organic cyclic compound biosynthesis" EXACT [GOC:TermGenie] synonym: "organic cyclic compound formation" EXACT [GOC:TermGenie] synonym: "organic cyclic compound synthesis" EXACT [GOC:TermGenie] is_a: GO:1901360 ! organic cyclic compound metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33832 ! organic cyclic compound relationship: has_primary_output CHEBI:33832 ! organic cyclic compound created_by: bf creation_date: 2012-09-14T09:05:22Z [Term] id: GO:1901363 name: heterocyclic compound binding namespace: molecular_function def: "Binding to heterocyclic compound." [GOC:TermGenie] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:5686 ! heterocyclic compound relationship: has_input CHEBI:5686 ! heterocyclic compound created_by: bf creation_date: 2012-09-14T13:53:50Z [Term] id: GO:1901564 name: organonitrogen compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organonitrogen compound." [GOC:pr, GOC:TermGenie] synonym: "organonitrogen compound metabolism" EXACT [GOC:TermGenie] is_a: GO:0006807 ! nitrogen compound metabolic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:35352 ! organonitrogen compound relationship: has_primary_input_or_output CHEBI:35352 ! organonitrogen compound created_by: pr creation_date: 2012-11-04T15:17:52Z [Term] id: GO:1901566 name: organonitrogen compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of organonitrogen compound." [GOC:pr, GOC:TermGenie] synonym: "organonitrogen compound anabolism" EXACT [GOC:TermGenie] synonym: "organonitrogen compound biosynthesis" EXACT [GOC:TermGenie] synonym: "organonitrogen compound formation" EXACT [GOC:TermGenie] synonym: "organonitrogen compound synthesis" EXACT [GOC:TermGenie] is_a: GO:1901564 ! organonitrogen compound metabolic process is_a: GO:1901576 ! organic substance biosynthetic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:35352 ! organonitrogen compound relationship: has_primary_output CHEBI:35352 ! organonitrogen compound created_by: pr creation_date: 2012-11-04T15:18:00Z [Term] id: GO:1901576 name: organic substance biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an organic substance, any molecular entity containing carbon." [GOC:pr, GOC:TermGenie] synonym: "organic molecular entity anabolism" EXACT [GOC:TermGenie] synonym: "organic molecular entity biosynthesis" EXACT [GOC:TermGenie] synonym: "organic molecular entity biosynthetic process" EXACT [] synonym: "organic molecular entity formation" EXACT [GOC:TermGenie] synonym: "organic molecular entity synthesis" EXACT [GOC:TermGenie] synonym: "organic substance anabolism" EXACT [] synonym: "organic substance biosynthesis" EXACT [] synonym: "organic substance formation" EXACT [] synonym: "organic substance synthesis" EXACT [] is_a: GO:0009058 ! biosynthetic process is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:50860 ! organic molecular entity relationship: has_primary_output CHEBI:50860 ! organic molecular entity created_by: pr creation_date: 2012-11-05T11:04:40Z [Term] id: GO:1901605 name: alpha-amino acid metabolic process namespace: biological_process def: "The chemical reactions and pathways involving an alpha-amino acid." [GOC:TermGenie] synonym: "alpha-amino acid metabolism" EXACT [GOC:TermGenie] is_a: GO:0006520 ! amino acid metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33704 ! alpha-amino acid relationship: has_primary_input_or_output CHEBI:33704 ! alpha-amino acid created_by: tb creation_date: 2012-11-08T17:39:50Z [Term] id: GO:1901607 name: alpha-amino acid biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of an alpha-amino acid." [GOC:TermGenie] synonym: "alpha-amino acid anabolism" EXACT [GOC:TermGenie] synonym: "alpha-amino acid biosynthesis" EXACT [GOC:TermGenie] synonym: "alpha-amino acid formation" EXACT [GOC:TermGenie] synonym: "alpha-amino acid synthesis" EXACT [GOC:TermGenie] is_a: GO:0008652 ! amino acid biosynthetic process is_a: GO:1901605 ! alpha-amino acid metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33704 ! alpha-amino acid relationship: has_primary_output CHEBI:33704 ! alpha-amino acid created_by: tb creation_date: 2012-11-08T17:39:58Z [Term] id: GO:1901615 name: organic hydroxy compound metabolic process namespace: biological_process def: "The chemical reactions and pathways involving organic hydroxy compound." [GOC:pr, GOC:TermGenie] synonym: "organic hydroxy compound metabolism" EXACT [GOC:TermGenie] is_a: GO:0071704 ! organic substance metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:33822 ! organic hydroxy compound relationship: has_primary_input_or_output CHEBI:33822 ! organic hydroxy compound created_by: pr creation_date: 2012-11-13T12:54:27Z [Term] id: GO:1901617 name: organic hydroxy compound biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of organic hydroxy compound." [GOC:pr, GOC:TermGenie] synonym: "organic hydroxy compound anabolism" EXACT [GOC:TermGenie] synonym: "organic hydroxy compound biosynthesis" EXACT [GOC:TermGenie] synonym: "organic hydroxy compound formation" EXACT [GOC:TermGenie] synonym: "organic hydroxy compound synthesis" EXACT [GOC:TermGenie] is_a: GO:1901576 ! organic substance biosynthetic process is_a: GO:1901615 ! organic hydroxy compound metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:33822 ! organic hydroxy compound relationship: has_primary_output CHEBI:33822 ! organic hydroxy compound created_by: pr creation_date: 2012-11-13T12:54:36Z [Term] id: GO:1901681 name: sulfur compound binding namespace: molecular_function def: "Binding to a sulfur compound." [GOC:pr, GOC:TermGenie] synonym: "sulfur molecular entity binding" EXACT [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:26835 ! sulfur molecular entity relationship: has_input CHEBI:26835 ! sulfur molecular entity created_by: pr creation_date: 2012-11-26T20:45:23Z [Term] id: GO:1901810 name: beta-carotene metabolic process namespace: biological_process def: "The chemical reactions and pathways involving beta-carotene." [GOC:TermGenie, GOC:yaf, MetaCyc:PWY-5943, PMID:11387982, UniPathway:UPA00802] synonym: "beta-carotene metabolism" EXACT [GOC:TermGenie] is_a: GO:0016119 ! carotene metabolic process intersection_of: GO:0008152 ! metabolic process intersection_of: has_primary_input_or_output CHEBI:17579 ! beta-carotene relationship: has_primary_input_or_output CHEBI:17579 ! beta-carotene created_by: yaf creation_date: 2013-01-22T10:30:23Z [Term] id: GO:1901812 name: beta-carotene biosynthetic process namespace: biological_process def: "The chemical reactions and pathways resulting in the formation of beta-carotene." [GOC:TermGenie, GOC:yaf, MetaCyc:PWY-5943, PMID:11387982, UniPathway:UPA00802] synonym: "beta-carotene anabolism" EXACT [GOC:TermGenie] synonym: "beta-carotene biosynthesis" EXACT [GOC:TermGenie] synonym: "beta-carotene formation" EXACT [GOC:TermGenie] synonym: "beta-carotene synthesis" EXACT [GOC:TermGenie] is_a: GO:0016120 ! carotene biosynthetic process is_a: GO:1901810 ! beta-carotene metabolic process intersection_of: GO:0009058 ! biosynthetic process intersection_of: has_primary_output CHEBI:17579 ! beta-carotene relationship: has_primary_output CHEBI:17579 ! beta-carotene created_by: yaf creation_date: 2013-01-22T10:30:32Z [Term] id: GO:1902494 name: catalytic complex namespace: cellular_component def: "A protein complex which is capable of catalytic activity." [GOC:bhm, GOC:TermGenie, PMID:8077207] subset: goslim_metagenomics synonym: "enzyme complex" EXACT [GOC:bhm, GOC:jl] is_a: GO:0032991 ! protein-containing complex intersection_of: GO:0032991 ! protein-containing complex intersection_of: capable_of GO:0003824 ! catalytic activity relationship: capable_of GO:0003824 ! catalytic activity property_value: IAO:0000233 https://github.com/geneontology/go-ontology/issues/19980 xsd:anyURI created_by: bhm creation_date: 2013-11-13T16:18:47Z [Term] id: GO:1902670 name: carbon dioxide binding namespace: molecular_function def: "Binding to carbon dioxide." [GO_REF:0000067, GOC:bhm, GOC:TermGenie, PMID:15491402] synonym: "CO2 binding" EXACT [] is_a: GO:0005488 ! binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:16526 ! carbon dioxide relationship: has_input CHEBI:16526 ! carbon dioxide created_by: bhm creation_date: 2014-02-04T10:38:41Z [Term] id: GO:1903008 name: organelle disassembly namespace: biological_process def: "The disaggregation of an organelle into its constituent components." [GO_REF:0000079, GOC:TermGenie] synonym: "organelle degradation" EXACT [] is_a: GO:0006996 ! organelle organization is_a: GO:0022411 ! cellular component disassembly intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:0043226 ! organelle relationship: results_in_disassembly_of GO:0043226 ! organelle created_by: jl creation_date: 2014-05-13T12:36:03Z [Term] id: GO:1905690 name: nucleus disassembly namespace: biological_process def: "The disaggregation of a nucleus into its constituent components." [GO_REF:0000079, GOC:autophagy, GOC:pr, GOC:TermGenie] synonym: "cell nucleus disassembly" EXACT [GOC:TermGenie] is_a: GO:0006997 ! nucleus organization is_a: GO:1903008 ! organelle disassembly intersection_of: GO:0022411 ! cellular component disassembly intersection_of: results_in_disassembly_of GO:0005634 ! nucleus relationship: results_in_disassembly_of GO:0005634 ! nucleus created_by: pr creation_date: 2016-11-14T13:38:57Z [Term] id: GO:1990234 name: transferase complex namespace: cellular_component def: "A protein complex capable of catalyzing the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor)." [GOC:bhm, PMID:16540464] is_a: GO:1902494 ! catalytic complex intersection_of: GO:1902494 ! catalytic complex intersection_of: capable_of GO:0016740 ! transferase activity relationship: capable_of GO:0016740 ! transferase activity created_by: bhm creation_date: 2013-11-12T13:20:12Z [Term] id: GO:1990239 name: steroid hormone binding namespace: molecular_function def: "Binding to a steroid hormone." [GOC:ln] is_a: GO:0005496 ! steroid binding is_a: GO:0042562 ! hormone binding intersection_of: GO:0005488 ! binding intersection_of: has_input CHEBI:26764 ! steroid hormone relationship: has_input CHEBI:26764 ! steroid hormone created_by: pr creation_date: 2013-11-15T09:26:18Z [Term] id: GO:1990904 name: ribonucleoprotein complex namespace: cellular_component alt_id: GO:0030529 alt_id: GO:1990903 def: "A macromolecular complex that contains both RNA and protein molecules." [GOC:krc, GOC:vesicles] subset: goslim_pir synonym: "extracellular ribonucleoprotein complex" NARROW [] synonym: "intracellular ribonucleoprotein complex" NARROW [] synonym: "protein-RNA complex" EXACT [] synonym: "RNA-protein complex" EXACT [] synonym: "RNP" EXACT [] xref: Wikipedia:Ribonucleoprotein is_a: GO:0032991 ! protein-containing complex relationship: has_part CHEBI:33697 ! ribonucleic acid created_by: pr creation_date: 2015-11-19T12:26:37Z [Term] id: IAO:0000027 name: data item def: "An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements." [] is_a: IAO:0000030 ! information content entity property_value: IAO:0000111 "data item" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl [Term] id: IAO:0000030 name: information content entity def: "A generically dependent continuant that is about some thing." [] is_a: BFO:0000031 ! generically dependent continuant property_value: IAO:0000111 "information content entity" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "PERSON: Chris Stoeckert" xsd:string property_value: IAO:0000119 "OBI_0000142" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl [Term] id: IAO:0000078 name: curation status specification def: "The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value." [] is_a: IAO:0000102 ! data about an ontology part property_value: IAO:0000111 "curation status specification" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000119 GROUP:OBI: xsd:string property_value: IAO:0000119 "OBI_0000266" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl [Term] id: IAO:0000102 name: data about an ontology part def: "Data about an ontology part is a data item about a part of an ontology, for example a term" [] is_a: IAO:0000027 ! data item property_value: IAO:0000111 "data about an ontology part" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl [Term] id: MAXO:0000001 name: medical action def: "A clinically prescribed procedure, therapy, intervention, or recommendation." [] xref: OGMS:0000096 [Term] id: MAXO:0000002 name: therapeutic procedure xref: NCIT:C25218 xref: NCIT:C49236 xref: OAE:0000094 xref: OGMS:0000112 xref: SIO:001024 is_a: MAXO:0000001 ! medical action [Term] id: MAXO:0000004 name: surgical procedure synonym: "operation" EXACT [] synonym: "surgery" EXACT [] synonym: "surgical intervention" EXACT [] synonym: "surgical operation" EXACT [] xref: ERO:0000378 xref: NCIT:C15329 xref: NCIT:C17173 xref: NCRO:0000228 xref: OAE:0000067 xref: SCDO:1000017 is_a: MAXO:0000002 ! therapeutic procedure [Term] id: MAXO:0000058 name: pharmacotherapy def: "Use of a substance introduced into a living organism with therapeutic or diagnostic purpose." [] synonym: "drug treatment" EXACT [] synonym: "medication therapy" EXACT [] synonym: "pharmaceutical drug" EXACT [] synonym: "pharmaceutical treatment" EXACT [] synonym: "pharmacological treatment" EXACT [] xref: CHEBI:52217 is_a: MAXO:0000002 ! therapeutic procedure [Term] id: MAXO:0000068 name: transplantation procedure synonym: "transplant procedure" EXACT [] synonym: "transplantation" EXACT [] synonym: "transplantation surgery" EXACT [] synonym: "transplantation surgical procedure" EXACT [] xref: NCIT:C15342 xref: NCIT:C15431 xref: OBI:0000105 is_a: MAXO:0000004 ! surgical procedure [Term] id: MAXO:0000157 name: antiparkinson agent therapy def: "Treatment with a drug used in the treatment of Parkinson's disease." [] synonym: "anti-Parkinson agent therapy" EXACT [] synonym: "antiparkinson agent treatment" EXACT [] synonym: "antiparkinson drug therapy" EXACT [] synonym: "antiparkinson drug treatment" EXACT [] synonym: "antiparkinsonian agent therapy" EXACT [] synonym: "antiparkisonian agent treatment" EXACT [] synonym: "antiparkisonian drug treatment" EXACT [] synonym: "treatment with anti-Parkinson drug" EXACT [] synonym: "treatment with antiparkinson drug" EXACT [] xref: CHEBI:48407 xref: NCIT:C38149 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000160 name: antidepressant agent therapy def: "Treatment with a mood-stimulating drug used primarily in the treatment of affective disorders and related conditions." [] synonym: "antidepressant drug therapy" EXACT [] synonym: "antidepressant therapy" EXACT [] synonym: "antidepressants treatment" EXACT [] synonym: "thymoanaleptics treatment" EXACT [] synonym: "thymoleptic agent therapy" EXACT [] synonym: "thymoleptic drug treatment therapy" EXACT [] synonym: "thymoleptics drug therapy" EXACT [] synonym: "treatment with antidepressant" EXACT [] xref: CHEBI:35469 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000164 name: uricosuric agent therapy synonym: "anti-gout agent therapy" EXACT [] synonym: "anti-gout combination medicine therapy" EXACT [] synonym: "anti-gout drug therapy" EXACT [] synonym: "anti-gout preparation therapy" EXACT [] synonym: "antigout agent therapy" EXACT [] synonym: "antigout combination medicine therapy" EXACT [] synonym: "antigout drug therapy" EXACT [] synonym: "antigout medication therapy" EXACT [] synonym: "antigout preparation therapy" EXACT [] synonym: "antigout therapy" EXACT [] synonym: "gout suppressant agent treatment" EXACT [] synonym: "treatment with anti-gout drug" EXACT [] synonym: "treatment with anti-gout medication" EXACT [] synonym: "treatment with antigout agent" EXACT [] synonym: "treatment with antigout drug" EXACT [] synonym: "treatment with antigout medication" EXACT [] synonym: "treatment with gout suppressant agent" EXACT [] synonym: "treatment with gout suppressant drug" EXACT [] synonym: "treatment with gout suppressant medication" EXACT [] synonym: "treatment with uricosuric drug" EXACT [] synonym: "uricosuric drug therapy" EXACT [] xref: CHEBI:35841 xref: CHEBI:35845 xref: NCIT:C29733 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000165 name: diuretic agent therapy def: "Therapy using an agent that promotes the excretion of urine through its effects on kidney function" [] synonym: "diuretic agent drug treatment therapy" EXACT [] synonym: "diuretic drug therapy" EXACT [] synonym: "diuretic therapy" EXACT [] synonym: "treatment with diuretic" EXACT [] synonym: "treatment with diuretic agent" EXACT [] synonym: "treatment with diuretic drug" EXACT [] synonym: "treatment with diuretic medication" EXACT [] xref: CHEBI:35498 xref: NCIT:C448 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000166 name: antipsychotic agent therapy def: "Treatment with an agent that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect." [] synonym: "antipsychotic agent therapy" EXACT [] synonym: "antipsychotic drug treatment" EXACT [] synonym: "antipsychotic therapy" EXACT [] synonym: "major tranquilizer drug treatment" EXACT [] synonym: "neuroleptic agent treatment" EXACT [] synonym: "neuroleptic therapies" EXACT [] synonym: "treatment with antipsychotic agent" EXACT [] synonym: "treatment with antipsychotic drug" EXACT [] synonym: "treatment with antipsychotic medication" EXACT [] xref: CHEBI:35476 is_a: MAXO:0001023 ! tranquilizing agent therapy [Term] id: MAXO:0000170 name: anesthetic agent therapy def: "A therapy utilizing a substance which produces loss of feeling or sensation." [] synonym: "anaesthesia therapy" EXACT [] synonym: "anaesthetic medication therapy" EXACT [] synonym: "anaesthetic therapy" EXACT [] synonym: "anesthesia therapy" EXACT [] synonym: "anesthetic drug therapy" EXACT [] synonym: "anesthetic medication therapy" EXACT [] synonym: "treatment with anaesthetic" EXACT [] xref: CHEBI:38867 xref: NCIT:C245 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000175 name: blood glucose regulator therapy def: "Any drug that works to lower abnormally high glucose (sugar) levels in the blood, which are characteristic of the endocrine system disorder known as diabetes mellitus." [] synonym: "blood glucose regulator drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000178 name: anticoagulant agent therapy def: "Use of an agent that prevents blood clotting." [] synonym: "anticoagulant agent treatment" EXACT [] synonym: "anticoagulant drug treatment" EXACT [] synonym: "anticoagulant therapy" EXACT [] synonym: "treatment with anticoagulant" EXACT [] xref: CHEBI:50249 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000180 name: platelet aggregation inhibitor therapy def: "Use of a drug which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system." [] synonym: "platelet aggregation inhibitor agent treatment" EXACT [] synonym: "platelet aggregation inhibitor therapy" EXACT [] synonym: "treatment with platelet aggregation antagonist" EXACT [] synonym: "treatment with platelet aggregation blocker" EXACT [] synonym: "treatment with platelet aggregation inhibitor" EXACT [] xref: CHEBI:50427 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000184 name: alpha adrenergic antagonist therapy def: "Treatment with an agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists." [] synonym: "a-adrenergic antagonist agent therapy" EXACT [] synonym: "a-adrenergic antagonist therapy" EXACT [] synonym: "a-adrenergic receptor antagonist drug treatment" EXACT [] synonym: "alpha adrenergic antagonist drug therapy" EXACT [] synonym: "alpha blocker therapy" EXACT [] synonym: "alpha-adrenergic antagonist agent treatment" EXACT [] synonym: "alpha-adrenergic antagonist drug therapy" EXACT [] synonym: "alpha-adrenergic antagonist drug treatment" EXACT [] synonym: "alpha-adrenergic antagonist medication therapy" EXACT [] synonym: "alpha-adrenergic antagonist therapy" EXACT [] synonym: "alpha-adrenergic blockader therapy" EXACT [] synonym: "alpha-adrenergic blocker therapy" EXACT [] synonym: "alpha-adrenergic blocking agent therapy" EXACT [] synonym: "alpha-adrenergic receptor antagonist agent therapy" EXACT [] synonym: "alpha-adrenergic receptor antagonist drug therapy" EXACT [] synonym: "alpha-adrenergic receptor blockader therapy" EXACT [] synonym: "alpha-adrenergic receptor blocker therapy" EXACT [] synonym: "alpha-adrenoceptor antagonist therapy" EXACT [] synonym: "treatment with alpha-adrenergic antagonist" EXACT [] synonym: "treatment with alpha-adrenergic antagonist drug" EXACT [] synonym: "treatment with alpha-adrenergic antagonist medication" EXACT [] xref: CHEBI:37890 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000185 name: antiarrythmic agent therapy def: "Treatment with a drug for prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres." [] synonym: "anti-arrhythmia agent therapy" EXACT [] synonym: "anti-arrhythmia drug therapy" EXACT [] synonym: "anti-arrhythmic agent therapy" EXACT [] synonym: "anti-arrhythmic drug treatment therapy" EXACT [] synonym: "anti-arrythmic agent therapy" EXACT [] synonym: "antiarrhythmic agent therapy" EXACT [] synonym: "antiarrhythmic drug therapy" EXACT [] synonym: "antiarrhythmic drug treatment" EXACT [] synonym: "treatment with anti-arrhythmia agent" EXACT [] synonym: "treatment with anti-arrhythmia drug" EXACT [] synonym: "treatment with anti-arrhythmia medication" EXACT [] synonym: "treatment with anti-arrhythmic agent" EXACT [] synonym: "treatment with anti-arrhythmic drug" EXACT [] synonym: "treatment with anti-arrhythmic medication" EXACT [] synonym: "treatment with anti-arrythmic drug" EXACT [] synonym: "treatment with antiarrhythmic agent" EXACT [] synonym: "treatment with antiarrhythmic drug" EXACT [] synonym: "treatment with antiarrhythmic medication" EXACT [] xref: CHEBI:38070 xref: NCIT:C47793 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000187 name: beta-adrenergic antagonist therapy synonym: "b-adrenergic antagonist therapy" EXACT [] synonym: "b-adrenergic receptor antagonist therapy" EXACT [] synonym: "beta adrenergic antagonist agent treatment" EXACT [] synonym: "beta adrenergic antagonist drug treatment" EXACT [] synonym: "beta adrenergic receptor antagonist therapy" EXACT [] synonym: "Beta blocker therapy" EXACT [] synonym: "beta-adrenergic antagonist agent treatment" EXACT [] synonym: "beta-adrenergic antagonist therapy" EXACT [] synonym: "Beta-adrenergic blocking agent therapy" EXACT [] synonym: "beta-adrenergic receptor antagonist agents" EXACT [] synonym: "beta-adrenergic receptor antagonist drug treatment" EXACT [] synonym: "beta-adrenergic receptor antagonist therapy" EXACT [] synonym: "beta-adrenergic receptor blockader therapy" EXACT [] synonym: "beta-adrenoceptor antagonist therapy" EXACT [] synonym: "treatment with beta blocker agent" EXACT [] synonym: "treatment with beta blocker drug" EXACT [] synonym: "treatment with beta blocker medication" EXACT [] synonym: "treatment with beta-adrenergic antagonist" EXACT [] synonym: "treatment with beta-adrenergic antagonist agent" EXACT [] synonym: "treatment with beta-adrenergic antagonist drug" EXACT [] synonym: "treatment with beta-adrenergic antagonist medication" EXACT [] xref: CHEBI:35530 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000189 name: dyslipidemic agent therapy def: "Therapy using an agent that reduces plasma lipids, such as cholesterol or low density lipoproteins (LDL), acting systemically or locally (intestines) to decrease fat digestion, absorption, production, and accumulation in the plasma and reducing pathogenic atherosclerosis and thrombosis." [] synonym: "anti-lipemic therapy" EXACT [] synonym: "anti-lipidemic agent therapy" EXACT [] synonym: "antihyperlipemic agent therapy" EXACT [] synonym: "antihyperlipidaemic agent therapy" EXACT [] synonym: "antihyperlipidemic agent therapy" EXACT [] synonym: "antihyperlipidemic drug therapy" EXACT [] synonym: "antilipemic drug therapy" EXACT [] synonym: "antilipemic therapy" EXACT [] synonym: "antilipidemic agent therapy" EXACT [] synonym: "antilipidemic drug treatment therapy" EXACT [] synonym: "dyslipidemia agent therapy" EXACT [] synonym: "dyslipidemia drug treatment therapy" EXACT [] synonym: "dyslipidemic agent drug treatment" EXACT [] synonym: "dyslipidemic drug therapy" EXACT [] synonym: "dyslipidemic drugs therapy" EXACT [] synonym: "hypolipidemic agent therapy" EXACT [] synonym: "lipid-lowering agent therapy" EXACT [] synonym: "treatment with anti-lipidemic agent" EXACT [] synonym: "treatment with anti-lipidemic drug" EXACT [] synonym: "treatment with anti-lipidemic medication" EXACT [] synonym: "treatment with antilipemic drug" EXACT [] synonym: "treatment with antilipidemic agent" EXACT [] synonym: "treatment with antilipidemic medication" EXACT [] synonym: "treatment with dyslipidemic agent" EXACT [] synonym: "treatment with dyslipidemic drug" EXACT [] synonym: "treatment with dyslipidemic medication" EXACT [] xref: NCIT:C29703 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000190 name: RAAS inhibitor therapy def: "Treatment with Renin-angiotensin-aldosterone system (RAAS) inhibitors, a group of drugs that act by inhibiting the renin-angiotensin-aldosterone system and include angiotensin-converting enzyme (ACE) inhibitors, angiotensin-receptor blockers (ARBs), and direct renin inhibitors" [] synonym: "renin-angiotensin-aldosterone system inhibitor therapy" EXACT [] synonym: "Treatment with RAAS inhibitor" EXACT [] synonym: "treatment with renin-angiotensin-aldosterone system inhibitor" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000191 name: vasodilator agent therapy synonym: "vasodilating agent therapy" EXACT [] synonym: "vasodilating drug treatment therapy" EXACT [] synonym: "vasodilator agent therapy" EXACT [] synonym: "vasodilator drug therapies" EXACT [] synonym: "vasodilator drug therapy" EXACT [] synonym: "vasodilator drug treatment therapy" EXACT [] synonym: "vasodilator therapies" EXACT [] xref: CHEBI:35620 xref: NCIT:C29707 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000210 name: cholinesteriase inhibitor therapy synonym: "cholinesterase inhibitor drug treatment" EXACT [] synonym: "cholinesterase inhibitor medication therapy" EXACT [] synonym: "EC 3.1.1.8 (cholinesterase) inhibitor therapy" EXACT [] synonym: "treatment with EC 3.1.1.8 (cholinesterase) inhibitor" EXACT [] xref: CHEBI:37733 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000213 name: monoamine oxidase inhibitor therapy def: "A drug that acts as an inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4)." [] synonym: "EC 1.4.3.4 (monoamine oxidase) inhibitor therapy" EXACT [] synonym: "inhibitors of MAO therapy" EXACT [] synonym: "inhibitors of monoamine oxidase therapy" EXACT [] synonym: "MAO drug therapy" EXACT [] synonym: "MAO drug treatment" EXACT [] synonym: "treatment with EC 1.4.3.4 (monoamine oxidase) inhibitor" EXACT [] xref: CHEBI:38623 xref: NCIT:C667 is_a: MAXO:0000160 ! antidepressant agent therapy [Term] id: MAXO:0000215 name: tricyclic antidepressant agent therapy def: "Treatment with mood-stimulating agents which contain a tricyclic structure and are used primarily in the treatment of affective disorders and related conditions." [] synonym: "tricyclic antidepressant drug therapy" EXACT [] synonym: "tricyclic antidepressant drug treatment" EXACT [] xref: NCIT:C94727 is_a: MAXO:0000160 ! antidepressant agent therapy [Term] id: MAXO:0000221 name: nonsteroidal anti-inflammatory agent therapy name: NSAID therapy def: "Treatment with an anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins." [] synonym: "non-steroidal anti-inflammatory drug therapy" EXACT [] synonym: "non-steroidal anti-inflammatory medication treatment" EXACT [] synonym: "treatment with non-steroidal anti-inflammatory drug" EXACT [] synonym: "treatment with non-steroidal anti-inflammatory medication" EXACT [] synonym: "treatment with NSAID drug" EXACT [] synonym: "treatment with NSAID medication" EXACT [] synonym: "treatment with NSAID therapy" EXACT [] xref: CHEBI:35475 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000258 name: glycemic agent therapy def: "Treatment with any drug or agent taken that maintains ando/or regulates blood glucose levels." [] synonym: "glycemic agent drug therapy" EXACT [] synonym: "glycemic regulation agent therapy" EXACT [] synonym: "glycemic regulation drug treatment" EXACT [] synonym: "glycemic regulator agent therapy" EXACT [] is_a: MAXO:0000175 ! blood glucose regulator therapy [Term] id: MAXO:0000259 name: therapeutic insulin treatment synonym: "insulin drug treatment" EXACT [] synonym: "insulin therapy" EXACT [] synonym: "therapeutic insulin preparations treatment" EXACT [] xref: NCIT:C581 is_a: MAXO:0000258 ! glycemic agent therapy [Term] id: MAXO:0000269 name: H2-receptor antagonist agent therapy synonym: "H2 blocker treatment therapy" EXACT [] synonym: "H2 blocking agent treatment therapy" EXACT [] synonym: "H2 receptor antagonist treatment therapy" EXACT [] synonym: "H2 receptor blockader treatment" EXACT [] synonym: "H2-receptor blocker therapy" EXACT [] synonym: "histamine H2 receptor antagonist therapy" EXACT [] synonym: "histamine H2 receptor antagonist treatment" EXACT [] synonym: "Histamine2 antagonist therapy" EXACT [] synonym: "histamine2 blocking agent therapy" EXACT [] xref: CHEBI:37961 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000272 name: proton pump inhibitor agent therapy synonym: "proton pump inhibitor drug treatment" EXACT [] synonym: "proton pump inhibitor treatment therapy" EXACT [] xref: NCIT:C29723 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000282 name: sex hormone modifying agent therapy def: "Treatment with any agent or medication that modifies androgen, estrogens, and/or progestogens." [] synonym: "sex hormone modifying drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000284 name: thyroid-modifying hormonal agent therapy def: "Treatment with an agent or medication that regulates hormones released by the thyroid." [] synonym: "treatment with thyroid modifier" EXACT [] synonym: "treatment with thyroid modifying agent" EXACT [] synonym: "treatment with thyroid modifying drug" EXACT [] synonym: "treatment with thyroid modifying medication" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000287 name: estrogen modifying agent therapy def: "A drug which acts to modulates estrogenic activity in the body, either by modulating the amount of estrogen or by modulating the activity of whatever estrogen is present." [] synonym: "estrogen modifying drug therapy" EXACT [] synonym: "estrogen modifying medication therapy" EXACT [] synonym: "estrogen receptor modulator therapy" EXACT [] synonym: "oestrogen modifying agent therapy" EXACT [] synonym: "oestrogen modifying drug therapy" EXACT [] synonym: "treatment with estrogen receptor modulator" EXACT [] synonym: "treatment with estrogent modifying medication" EXACT [] synonym: "treatment with oestrogen modifying medication" EXACT [] xref: CHEBI:50739 is_a: MAXO:0000282 ! sex hormone modifying agent therapy [Term] id: MAXO:0000288 name: progestin modifying agent therapy def: "Treatment with an agent to modify progestin action." [] synonym: "progestin modifying drug treatment" EXACT [] synonym: "treatment with progestin modifier" EXACT [] synonym: "treatment with progestin modifying agent" EXACT [] synonym: "treatment with progestin modifying drug" EXACT [] synonym: "treatment with progestin modifying medication" EXACT [] is_a: MAXO:0000282 ! sex hormone modifying agent therapy [Term] id: MAXO:0000314 name: inhaled corticosteroid agent therapy def: "Treatment with an inhaled agent that reduces inflammation and mucus in the airways that carry air to the lungs." [] synonym: "inhaled corticosteroid drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000315 name: antileukotriene agent therapy def: "Use of a drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level." [] synonym: "antileukotriene drug treatment" EXACT [] synonym: "leukotriene antagonist therapy" EXACT [] synonym: "treatment with antileukotriene agent" EXACT [] synonym: "treatment with antileukotriene medication" EXACT [] synonym: "treatment with leukotriene antagonist" EXACT [] synonym: "treatment with leukotriene blocker" EXACT [] xref: CHEBI:49159 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000317 name: anticholinergic bronchodilator agent therapy def: "Treatment with an agent that blocks the effect of acetylcholine in airways and nasal passages to keep the airways from constricting during asthma and allergy-related brathing issues." [] synonym: "anticholinergic bronchodilator drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000318 name: phosphodiesterase inhibitor bronchodilator agent therapy def: "Treatment with a phosphodiesterase (PDE) inhibitor that decreases mean pulmonary arterial pressure." [] synonym: "phosphodiesterase inhibitor bronchodilator drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000319 name: sympathomimetic bronchodilator agent therapy def: "Treatment with an agent for reversible airway obstruction in diseases such as asthma and COPD. These agents produce bronchodilation by stimulating beta2 adrenergic receptors on airway smooth muscle." [] synonym: "adrenergic bronchiodilator agent therapy" EXACT [] synonym: "adrenergic bronchiodilator agent treatment" EXACT [] synonym: "adrenergic bronchiodilator drug therapy" EXACT [] synonym: "sympathomimetic bronchodilator drug therapy" EXACT [] synonym: "treatment with adrenergic bronchiodilator agent" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000321 name: pulmonary antihypertensive agent therapy def: "Treatment with an agent that decreases pulmonary hypertension." [] synonym: "pulmonary antihypertensive drug treatment" EXACT [] is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000434 name: calcium channel blocking agent therapy def: "Treatment with a pharmaceutical agent that inhibits the movement of calcium across through calcium channels in the cell membrane, preventing or decreasing the amount of calcium able to enter the cell. These drugs are used for their chronotropic, antihypertensive and vasodilatory effects." [] synonym: "calcium channel antagonist drug therapy" EXACT [] synonym: "calcium channel antagonist therapy" EXACT [] synonym: "calcium channel blocker drug therapy" EXACT [] synonym: "calcium channel blocker therapy" EXACT [] synonym: "treatment with calcium channel blocker" EXACT [] synonym: "treatment with calcium channel blocker drug" EXACT [] synonym: "treatment with calcium channel blocker medication" EXACT [] synonym: "treatment with calcium channel blocking drug" EXACT [] synonym: "treatment with calcium channel blocking medication" EXACT [] xref: CHEBI:38215 xref: NCIT:C333 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000640 name: corticosteroid agent therapy def: "Use of a natural or synthetic analog of the hormones secreted by the adrenal gland as a type of anti-inflammatory treatment." [] synonym: "corticosteroid treatment" EXACT [] synonym: "treatment with corticosteroid agent" EXACT [] synonym: "treatment with corticosteroid drug" EXACT [] synonym: "treatment with corticosteroid medication" EXACT [] synonym: "treatment with corticosteroid therapy" EXACT [] xref: CHEBI:50858 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0000756 name: blood transfusion synonym: "transfusion of blood products" EXACT [] xref: NCIT:C15192 xref: OGMS:0000145 is_a: MAXO:0000068 ! transplantation procedure [Term] id: MAXO:0001023 name: tranquilizing agent therapy def: "Treatment with a traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behavior." [] synonym: "tranquilizing drug therapy" EXACT [] synonym: "treatment with tranquilizing drug" EXACT [] xref: CHEBI:35473 is_a: MAXO:0000058 ! pharmacotherapy [Term] id: MAXO:0010043 name: kidney transplantation def: "The surgical transfer of a(n) kidney from a donor to a patient." [] synonym: "kidney grafting" EXACT [] synonym: "renal transplantation" EXACT [] synonym: "transplantation of kidney" EXACT [] xref: NCIT:C15265 is_a: MAXO:0000068 ! transplantation procedure [Term] id: MAXO:0010355 name: neck radiograph procedure def: "Use of an imaging test that uses small amounts of radiation to produce pictures of neck." [] synonym: "neck radiogram procedure" EXACT [] synonym: "neck X-ray procedure" EXACT [] synonym: "radiograph of neck" EXACT [] synonym: "radiography of neck" EXACT [] is_a: MAXO:0000002 ! therapeutic procedure [Term] id: NBO:0000003 name: emotional behavior namespace: behavior_ontology def: "\"Behavior related to the complex psychophysiological experience of an individual's state of mind as interacting with biochemical (internal) and environmental (external) influences.\" [wikipedia:Emotions]" [] synonym: "affective behaviour" EXACT [] synonym: "mood" EXACT [] is_a: NBO:0000313 ! behavior process property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:03:39Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000015 name: aggressive behavior namespace: behavior_ontology def: "\"A behavioral interaction between organisms in which one organism has the intention of inflicting damage on another individual using physical or verbal means.\" [wikipedia:Aggression]" [] synonym: "aggression" EXACT [] synonym: "aggressive behaviour" EXACT [] synonym: "agonism" EXACT [] xref: GO:0002118 is_a: NBO:0000003 ! emotional behavior property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:03:39Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000063 name: regulation of eating behavior namespace: behavior_ontology def: "\"A feeding behavior associated with the intake or the frequency of intake or preference or manner of intake of food.\" [NBO:GVG]" [] synonym: "eating behaviour" EXACT [] xref: GO:0042755 is_a: NBO:0002436 ! regulation of feeding behavior relationship: regulates NBO:0000134 ! food consumption property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:20:02Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000064 name: regulation of drinking behavior namespace: behavior_ontology def: "\"A feeding behavior associated with the intake or the frequency of intake or preference or manner of intake of liquids.\" [NBO:GVG]" [] synonym: "drinking behaviour" EXACT [] xref: GO:0042756 is_a: NBO:0002436 ! regulation of feeding behavior relationship: regulates NBO:0000130 ! liquid consumption property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:20:02Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000079 name: feeding behavior namespace: behavior_ontology def: "The act of bringing an object or substance into the body by swallowing, surrounding or absorbing it [NBO:SMAC]" [] synonym: "feeding behaviour" EXACT [] xref: GO:0007631 is_a: NBO:0001845 ! consumption behavior property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:20:02Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000089 name: predator behavior namespace: behavior_ontology def: "\"A physical aggression behavior involving attack on prey by a predator.\" [NBO:GVG]" [] synonym: "predatory aggression" EXACT [] synonym: "predatory aggressive behaviour" EXACT [] xref: GO:0002120 is_a: NBO:0000120 ! physical aggression behavior is_a: NBO:0000235 ! hunger motivation behavior property_value: http://purl.org/dc/elements/1.1/date 2011-04-14T01:20:02Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000120 name: physical aggression behavior namespace: behavior_ontology def: "\"An aggressive behavior that aims to inflicting damage on another entity using physical means.\" [NBO:GVG]" [] synonym: "physical aggression behaviour" EXACT [] synonym: "violent behaviour" EXACT [] is_a: NBO:0000741 ! aggressive behavior by means property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T11:14:04Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000130 name: liquid consumption namespace: behavior_ontology def: "\"A behavior associated with the intake of liquid.\" [NBO:GVG]" [] is_a: NBO:0000079 ! feeding behavior relationship: has_participant PATO:0001548 ! quality of a liquid property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T12:40:37Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000131 name: alcohol consumption namespace: behavior_ontology def: "\"A drinking behavior associated with the intake of alcohol.\" [NBO:GVG]" [] is_a: NBO:0000130 ! liquid consumption intersection_of: NBO:0000130 ! liquid consumption intersection_of: has_participant CHEBI:16236 ! ethanol relationship: has_participant CHEBI:16236 ! ethanol property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T12:40:53Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000132 name: water consumption namespace: behavior_ontology def: "\"A drinking behavior associated with the intake of water.\" [NBO:GVG]" [] xref: GO:0045187 is_a: NBO:0000130 ! liquid consumption intersection_of: NBO:0000130 ! liquid consumption intersection_of: has_participant CHEBI:15377 ! water relationship: has_participant CHEBI:15377 ! water property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T12:41:14Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000134 name: food consumption namespace: behavior_ontology def: "\"A feeding behavior associated with the intake of food.\" [NBO:GVG]" [] is_a: NBO:0000079 ! feeding behavior intersection_of: NBO:0000079 ! feeding behavior intersection_of: has_participant CHEBI:33290 ! food relationship: has_participant CHEBI:33290 ! food property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T12:42:46Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000136 name: saccharin consumption namespace: behavior_ontology def: "\"A feeding behavior associated with the intake of saccharin.\" [NBO:GVG]" [] is_a: NBO:0000134 ! food consumption intersection_of: NBO:0000134 ! food consumption intersection_of: has_participant CHEBI:32111 ! saccharin relationship: has_participant CHEBI:32111 ! saccharin property_value: http://purl.org/dc/elements/1.1/date 2011-03-31T12:50:41Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000233 name: motivation behavior namespace: behavior_ontology alt_id: NBO:0000050 def: "\"Behavior related to the tendency of an organism to maintain internal equilibrium.\" [NBO:GVG]" [] synonym: "behavioral homeostasis" EXACT [] synonym: "maintenance behaviour" EXACT [] synonym: "perception of need" EXACT [] is_a: NBO:0000313 ! behavior process property_value: http://purl.org/dc/elements/1.1/date 2011-04-04T08:29:40Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000235 name: hunger motivation behavior namespace: behavior_ontology def: "\"Behavior related to the deprivation of food.\" [NBO:GVG]" [] synonym: "appetite related behaviour" EXACT [] is_a: NBO:0000233 ! motivation behavior property_value: http://purl.org/dc/elements/1.1/date 2011-04-04T08:30:11Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000313 name: behavior process namespace: behavior_ontology alt_id: NBO:0000000 def: "\"The action, reaction, or performance of an organism in response to external or internal stimuli.\" [GO:GO\\:0007610]" [] synonym: "behavior" EXACT [] synonym: "behaviour" EXACT [] xref: GO:0007610 is_a: GO:0007610 ! behavior property_value: http://purl.org/dc/elements/1.1/date 2011-04-05T09:53:10Z xsd:string created_by: George Gkoutos [Term] id: NBO:0000741 name: aggressive behavior by means namespace: behavior_ontology is_a: NBO:0000015 ! aggressive behavior property_value: http://purl.org/dc/elements/1.1/date 2012-02-16T01:16:31Z xsd:string created_by: gkoutos [Term] id: NBO:0001786 name: regulation of behavior def: "\"Any process that modulates the frequency, rate or extent of behavior, the specific actions or reactions of an organism in response to external or internal stimuli.\" [GO:0050795]" [] xref: GO:0050795 is_a: NBO:0000313 ! behavior process relationship: regulates NBO:0000313 ! behavior process created_by: George Gkoutos [Term] id: NBO:0001824 name: regulation of alcohol consumption def: "\"Any process that modulates the frequency, rate or extent of alcohol consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0000064 ! regulation of drinking behavior relationship: regulates NBO:0000131 ! alcohol consumption created_by: George Gkoutos [Term] id: NBO:0001845 name: consumption behavior def: "\"Behavior related to the intake of substances.\" [NBOC:GVG]" [] synonym: "ingest" BROAD [] is_a: NBO:0000313 ! behavior process created_by: George Gkoutos [Term] id: NBO:0001884 name: consumption of an addictive substance def: "\"Behavior related to the intake of addictive substances.\" [NBOC:GVG]" [] is_a: NBO:0001845 ! consumption behavior created_by: George Gkoutos [Term] id: NBO:0001915 name: cocaine consumption def: "\"Behavior related to the intake of cocaine.\" [NBOC:GVG]" [] is_a: NBO:0001884 ! consumption of an addictive substance intersection_of: NBO:0001884 ! consumption of an addictive substance intersection_of: has_participant CHEBI:27958 ! cocaine relationship: has_participant CHEBI:27958 ! cocaine created_by: George Gkoutos [Term] id: NBO:0001952 name: morphine consumption def: "\"Behavior related to the intake of morphine.\" [NBOC:GVG]" [] is_a: NBO:0001884 ! consumption of an addictive substance intersection_of: NBO:0001884 ! consumption of an addictive substance intersection_of: has_participant CHEBI:17303 ! morphine relationship: has_participant CHEBI:17303 ! morphine created_by: George Gkoutos [Term] id: NBO:0002086 name: nicotine consumption def: "\"Behavior related to the intake of nicotine.\" [NBOC:GVG]" [] is_a: NBO:0001884 ! consumption of an addictive substance intersection_of: NBO:0001884 ! consumption of an addictive substance intersection_of: has_participant CHEBI:18723 ! nicotine relationship: has_participant CHEBI:18723 ! nicotine created_by: George Gkoutos [Term] id: NBO:0002132 name: regulation of cocaine consumption def: "\"Any process that modulates the frequency, rate or extent of cocaine consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0002234 ! regulation of consumption of an addictive substance relationship: regulates NBO:0001915 ! cocaine consumption created_by: George Gkoutos [Term] id: NBO:0002169 name: regulation of consumption behavior def: "\"Any process that modulates the frequency, rate or extent of consumption behavior, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0001786 ! regulation of behavior relationship: regulates NBO:0001845 ! consumption behavior created_by: George Gkoutos [Term] id: NBO:0002234 name: regulation of consumption of an addictive substance def: "\"Any process that modulates the frequency, rate or extent of consumption of an addictive substance, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0002169 ! regulation of consumption behavior relationship: regulates NBO:0001884 ! consumption of an addictive substance created_by: George Gkoutos [Term] id: NBO:0002273 name: regulation of nicotine consumption def: "\"Any process that modulates the frequency, rate or extent of nicotine consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0002234 ! regulation of consumption of an addictive substance relationship: regulates NBO:0002086 ! nicotine consumption created_by: George Gkoutos [Term] id: NBO:0002308 name: regulation of morphine consumption def: "\"Any process that modulates the frequency, rate or extent of morphine consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0002234 ! regulation of consumption of an addictive substance relationship: regulates NBO:0001952 ! morphine consumption created_by: George Gkoutos [Term] id: NBO:0002436 name: regulation of feeding behavior def: "\"Any process that modulates the frequency, rate or extent of consumption of food or liquid\" [NBOC:GVG]" [] is_a: NBO:0002169 ! regulation of consumption behavior created_by: George Gkoutos [Term] id: NBO:0002468 name: regulation of water consumption def: "\"Any process that modulates the frequency, rate or extent of water consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0000064 ! regulation of drinking behavior relationship: regulates NBO:0000132 ! water consumption created_by: George Gkoutos [Term] id: NBO:0002511 name: regulation of saccharin consumption def: "\"Any process that modulates the frequency, rate or extent of saccharin consumption, the specific actions or reactions of an organism in response to external or internal stimuli.\" [NBOC:GVG]" [] is_a: NBO:0000063 ! regulation of eating behavior relationship: regulates NBO:0000136 ! saccharin consumption created_by: George Gkoutos [Term] id: NBO:0009003 name: hunting behavior def: "A predator behavior involving actively stalking prey over a distance." [] is_a: NBO:0000089 ! predator behavior is_a: NBO:0015003 ! active foraging behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-03-11T13:51:02Z xsd:string created_by: Nicolas Matentzoglu [Term] id: NBO:0015003 name: active foraging behavior def: "Feeding behavior during which a living entity acquires food and energy by actively searching for food resources." [] is_a: NBO:0000079 ! feeding behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-08-04T13:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0015005 name: smoking behavior def: "Consumption behavior that involves inhaling a material (such as finely ground tobacco leaves) through the nose." [] is_a: NBO:0001845 ! consumption behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-09-06T10:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0015006 name: pipe smoking behavior def: "Smoking behavior that involves burning a substance such as tobacco and tasting or inhaling the smoke through a pipe." [] is_a: NBO:0015005 ! smoking behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-09-06T10:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0015007 name: cigarette smoking behavior def: "Smoking behavior that involves burning a substance such as tobacco wrapped in paper and inhaling the smoke." [] is_a: NBO:0015005 ! smoking behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-09-06T10:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0015008 name: cigar smoking behavior def: "Smoking behavior that involves burning a substance such as tobacco wrapped in tobacco leaf and inhaling the smoke." [] is_a: NBO:0015005 ! smoking behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-09-06T10:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0015009 name: snuffing behavior def: "Consumption behavior that involves inhaling a material (such as finely ground tobacco leaves) through the nose." [] is_a: NBO:0001845 ! consumption behavior property_value: http://purl.org/dc/elements/1.1/contributor http://orcid.org/0000-0002-2908-3327 xsd:string property_value: http://purl.org/dc/elements/1.1/date 2019-09-06T10:51:02Z xsd:string created_by: https://orcid.org/0000-0002-7356-1779 [Term] id: NBO:0045000 name: tobacco consumption def: "Any habitual use of the tobacco plant leaf and its products." [] is_a: NBO:0001845 ! consumption behavior property_value: http://purl.org/dc/elements/1.1/date 2020-01-27T20:46:57Z xsd:dateTime created_by: http://orcid.org/0000-0001-7941-2961 [Term] id: NBO:0045001 name: tobacco chewing behavior def: "A behavior of chewing a type of smokeless tobacco maked from cured tobacco leaves. Often the tobacco is left in the mouth and chewed but the leaves are not swallowed." [] synonym: "spit tobacco consumption" EXACT [] is_a: NBO:0045000 ! tobacco consumption property_value: http://purl.org/dc/elements/1.1/date 2020-01-27T20:51:17Z xsd:dateTime created_by: http://orcid.org/0000-0001-7941-2961 [Term] id: NCBITaxon:1 name: root namespace: ncbi_taxonomy synonym: "all" RELATED synonym [] xref: GC_ID:1 is_a: OBI:0100026 ! organism [Term] id: NCBITaxon:1003877 name: Benincaseae is_a: NCBITaxon:3650 ! Cucurbitaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:10239 name: Viruses namespace: ncbi_taxonomy synonym: "Vira" RELATED synonym [] synonym: "Viridae" RELATED synonym [] synonym: "viruses" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:1 ! root property_value: has_rank NCBITaxon:superkingdom [Term] id: NCBITaxon:102818 name: Cardueae is_a: NCBITaxon:4210 ! Asteraceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:117570 name: Teleostomi namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:7776 ! Gnathostomata property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:117571 name: Euteleostomi namespace: ncbi_taxonomy alt_id: NCBITaxon:40673 synonym: "bony vertebrates" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:117570 ! Teleostomi property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1184124 name: Fragariinae is_a: NCBITaxon:721789 ! Potentilleae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:12058 name: Picornaviridae namespace: ncbi_taxonomy synonym: "Picornavirus" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:464095 ! Picornavirales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:12059 name: Enterovirus namespace: ncbi_taxonomy alt_id: NCBITaxon:12128 synonym: "Enteroviruses" EXACT equivalent_name [] xref: GC_ID:1 is_a: NCBITaxon:12058 ! Picornaviridae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:1224 name: Proteobacteria namespace: ncbi_taxonomy synonym: "Alphaproteobacteraeota" RELATED synonym [] synonym: "Alphaproteobacteriota" RELATED synonym [] synonym: "proteobacteria" RELATED blast_name [] synonym: "purple bacteria" EXACT common_name [] synonym: "purple bacteria and relatives" EXACT common_name [] synonym: "purple non-sulfur bacteria" EXACT common_name [] synonym: "purple photosynthetic bacteria" EXACT common_name [] synonym: "purple photosynthetic bacteria and relatives" EXACT common_name [] xref: GC_ID:11 xref: PMID:11321122 xref: PMID:11542017 xref: PMID:11837318 xref: PMID:26654112 xref: PMID:29458499 is_a: NCBITaxon:2 ! Bacteria property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:123366 name: Eurypterygia is_a: NCBITaxon:1489388 ! Euteleosteomorpha property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:123368 name: Acanthomorphata is_a: NCBITaxon:123366 ! Eurypterygia property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:123369 name: Euacanthomorphacea is_a: NCBITaxon:123368 ! Acanthomorphata property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1236 name: Gammaproteobacteria namespace: ncbi_taxonomy synonym: "g-proteobacteria" RELATED blast_name [] synonym: "gamma proteobacteria" RELATED synonym [] synonym: "gamma subdivision" RELATED synonym [] synonym: "gamma subgroup" RELATED synonym [] synonym: "Proteobacteria gamma subdivision" RELATED synonym [] synonym: "Purple bacteria, gamma subdivision" RELATED synonym [] xref: GC_ID:11 xref: PMID:23334881 is_a: NCBITaxon:1224 ! Proteobacteria property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:1239 name: Firmicutes namespace: ncbi_taxonomy alt_id: NCBITaxon:31968 synonym: "Bacillaeota" RELATED synonym [] synonym: "Bacillota" RELATED synonym [] synonym: "Bacillus/Clostridium group" RELATED synonym [] synonym: "clostridial firmicutes" RELATED synonym [] synonym: "Clostridium group firmicutes" RELATED synonym [] synonym: "Firmacutes" RELATED synonym [] synonym: "firmicutes" RELATED blast_name [] synonym: "Low G+C firmicutes" RELATED synonym [] synonym: "low G+C Gram-positive bacteria" EXACT common_name [] synonym: "low GC Gram+" EXACT common_name [] xref: GC_ID:11 xref: PMID:10555317 xref: PMID:11034484 xref: PMID:11542017 xref: PMID:15143038 xref: PMID:25403554 xref: PMID:26654112 xref: PMID:29458499 is_a: NCBITaxon:1783272 ! Terrabacteria group property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:1280412 name: Conoidasida namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:5794 ! Apicomplexa property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:1307775 name: Anserineae is_a: NCBITaxon:1307796 ! Chenopodioideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1307796 name: Chenopodioideae is_a: NCBITaxon:1804623 ! Chenopodiaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:131221 name: Streptophytina namespace: ncbi_taxonomy synonym: "Charophyta/Embryophyta group" RELATED synonym [] synonym: "charophyte/embryophyte group" EXACT equivalent_name [] xref: GC_ID:1 is_a: NCBITaxon:35493 ! Streptophyta property_value: has_rank NCBITaxon:subphylum [Term] id: NCBITaxon:131567 name: cellular organisms namespace: ncbi_taxonomy synonym: "biota" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:1 ! root [Term] id: NCBITaxon:1329799 name: Archelosauria is_a: NCBITaxon:32561 ! Sauria property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1338369 name: Dipnotetrapodomorpha namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:8287 ! Sarcopterygii property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:13749 name: Vaccinium is_a: NCBITaxon:217062 ! Vaccinieae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1385 name: Bacillales namespace: ncbi_taxonomy alt_id: NCBITaxon:2954866 synonym: "Bacillus/Staphylococcus group" RELATED synonym [] synonym: "Caryophanales" RELATED synonym [] xref: GC_ID:11 is_a: NCBITaxon:91061 ! Bacilli property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:13894 name: Cocos nucifera def: "The coconut palm, *Cocos nucifera*, is a member of the family *Arecaceae* (palm family). It is the only accepted species in the genus *Cocos*. The term coconut can refer to the entire coconut palm, the seed, or the fruit, which is not a botanical nut, but a drupe. The spelling cocoanut is an old-fashioned form of the word." [] comment: LanguaL curation note: When indexing the coconut palm fruit (drupe, seed) index both *COCONUT PALM [B1130]* and *FRUIT [C0167]* (or its more precise narrower terms). synonym: "coconut palm" EXACT [] synonym: "Cocos nucifera L." NARROW [] xref: GRIN:11043 xref: http://eol.org/pages/1091712 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1536 xref: ITIS:42451 xref: MANSFELD:10983 xref: PLANTS:CONU is_a: FOODON:03411022 ! tropical or subtropical nut producing plant is_a: FOODON:03411286 ! palm plant is_a: NCBITaxon:169725 ! Attaleinae property_value: hasSynonym "coconut" xsd:string property_value: hasSynonym "cocos nucifera" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "coconut palm plant" xsd:string property_value: IAO:0000119 WIKIPEDIA:Cocos_nucifera xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1437010 name: Boreoeutheria namespace: ncbi_taxonomy synonym: "Boreotheria" RELATED synonym [] xref: GC_ID:1 xref: PMID:11743200 xref: PMID:11791233 is_a: NCBITaxon:9347 ! Eutheria property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1437180 name: Acrogymnospermae is_a: NCBITaxon:58024 ! Spermatophyta property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1437183 name: Mesangiospermae namespace: ncbi_taxonomy xref: GC_ID:1 xref: PMID:25249442 is_a: NCBITaxon:3398 ! Magnoliopsida property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1437197 name: Petrosaviidae is_a: NCBITaxon:4447 ! Liliopsida property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1437201 name: Pentapetalae namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:91827 ! Gunneridae property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1463138 name: Ranunculoideae is_a: NCBITaxon:3440 ! Ranunculaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147368 name: Pooideae is_a: NCBITaxon:359160 ! BOP clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147369 name: Panicoideae is_a: NCBITaxon:147370 ! PACMAD clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147370 name: PACMAD clade is_a: NCBITaxon:4479 ! Poaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147380 name: Oryzeae is_a: NCBITaxon:359160 ! BOP clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147389 name: Triticeae is_a: NCBITaxon:147368 ! Pooideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147429 name: Andropogoneae is_a: NCBITaxon:1648033 ! Andropogonodae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147537 name: Saccharomycotina namespace: ncbi_taxonomy synonym: "true yeasts" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:716545 ! saccharomyceta property_value: has_rank NCBITaxon:subphylum [Term] id: NCBITaxon:147538 name: Pezizomycotina synonym: "filamentous ascomycetes" EXACT [] is_a: NCBITaxon:716545 ! saccharomyceta property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:147554 name: Schizosaccharomycetes namespace: ncbi_taxonomy synonym: "Archiascomycota" RELATED in_part [] xref: GC_ID:1 is_a: NCBITaxon:451866 ! Taphrinomycotina property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:1489341 name: Osteoglossocephalai is_a: NCBITaxon:32443 ! Teleostei property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1489388 name: Euteleosteomorpha is_a: NCBITaxon:186625 ! Clupeocephala property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1489841 name: Zeiogadaria is_a: NCBITaxon:123368 ! Acanthomorphata property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1489845 name: Gadoidei is_a: NCBITaxon:8043 ! Gadiformes property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1489872 name: Percomorphaceae is_a: NCBITaxon:123369 ! Euacanthomorphacea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1489894 name: Scombriformes synonym: "tunas and others" EXACT [] is_a: NCBITaxon:1489872 ! Percomorphaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:151340 name: Papillomaviridae namespace: ncbi_taxonomy synonym: "Papillomavirus" EXACT equivalent_name [] xref: GC_ID:1 xref: PMID:20206957 is_a: NCBITaxon:2732533 ! Zurhausenvirales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:1549675 name: Galloanserae is_a: NCBITaxon:8825 ! Neognathae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:161934 name: Beta vulgaris def: "A cultivated plant of Beta vulgaris, a plant whose tuber contains a high concentration of sucrose. It is grown commercially for sugar production. Sugar beets and other B. vulgaris cultivars such as beetroot and chard share a common wild ancestor, the sea beet (Beta vulgaris maritima)." [] synonym: "beet" EXACT [] xref: GRIN:103151 xref: GRIN:7057 xref: http://eol.org/pages/585884 xref: ITIS:20681 xref: MANSFELD:362 is_a: FOODON:03411012 ! sugar-producing plant is_a: FOODON:03411309 ! beet plant is_a: NCBITaxon:1804623 ! Chenopodiaceae property_value: hasSynonym "beta vulgaris" xsd:string property_value: hasSynonym "beta vulgaris var. altissima" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 Beta:vulgaris property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1637 name: Listeria namespace: ncbi_taxonomy synonym: "Listerella" RELATED synonym [] xref: GC_ID:11 xref: PMID:10408878 xref: PMID:15709360 xref: PMID:1713054 xref: PMID:1899799 xref: PMID:8427807 xref: PMID:8782674 xref: PMID:9226919 xref: PMID:9542083 is_a: NCBITaxon:186820 ! Listeriaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:163735 name: Phaseoleae is_a: NCBITaxon:2233855 ! indigoferoid/millettioid clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:163743 name: Fabeae is_a: NCBITaxon:2233839 ! IRL clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1648033 name: Andropogonodae is_a: NCBITaxon:147369 ! Panicoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1652080 name: Poeae Chloroplast Group 1 (Aveneae type) is_a: NCBITaxon:147368 ! Pooideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:16714 name: Juglandaceae synonym: "walnut family" EXACT [] is_a: NCBITaxon:3502 ! Fagales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:16718 name: Juglans def: "*Juglans* is a plant genus of the family *Juglandaceae*, the seeds of which are known as walnuts." [] comment: LanguaL curation note: When indexing the walnut fruit (drupe, seed) index both *WALNUT [B1290]* and *FRUIT [C0167]* (or its more precise narrower terms). synonym: "walnuts" EXACT [] xref: http://eol.org/pages/38394 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1290 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411062 ! temperate-zone nut producing plant is_a: NCBITaxon:16714 ! Juglandaceae property_value: hasSynonym "juglans spp." xsd:string property_value: http://purl.org/dc/elements/1.1/date 2022-02-01T00:18:43Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 WIKIPEDIA:Juglans xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:169697 name: Arecoideae is_a: NCBITaxon:4710 ! Arecaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:169705 name: Cocoseae is_a: NCBITaxon:169697 ! Arecoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:169725 name: Attaleinae is_a: NCBITaxon:169705 ! Cocoseae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:171637 name: Amygdaloideae is_a: NCBITaxon:3745 ! Rosaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:171638 name: Rosoideae is_a: NCBITaxon:3745 ! Rosaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:171929 name: Anacardium occidentale def: "The cashew is a tree in the family *Anacardiaceae*. Its English name derives from the Portuguese name for the fruit of the cashew tree, caju, which in turn derives from the indigenous Tupi name, acajú. It is now widely grown in tropical climates for its cashew nuts and cashew apples. \nThe fruit of the cashew tree is an accessory fruit (sometimes called a pseudocarp or false fruit). What appears to be the fruit is an oval or pear-shaped structure that develops from the pedicel and the receptacle of the cashew flower. Called the cashew apple, better known in Central America as \"marañón\", it ripens into a yellow and/or red structure about 5 to 11 cm long. It is edible, and has a strong \"sweet\" smell and a sweet taste. The pulp of the cashew apple is very juicy, but the skin is fragile, making it unsuitable for transport. In Latin America, a fruit drink is made from the cashew apple pulp which has a very refreshing taste and tropical flavor that can be described as having notes of mango, raw green pepper, and just a little hint of grapefruit-like citrus. The true fruit of the cashew tree is a kidney or boxing-glove shaped drupe that grows at the end of the cashew apple. The drupe develops first on the tree, and then the pedicel expands into the cashew apple. Within the true fruit is a single seed, the cashew nut. Although a nut in the culinary sense, in the botanical sense the nut of the cashew is a seed. The seed is surrounded by a double shell containing an allergenic phenolic resin, anacardic acid, a potent skin irritant chemically related to the more well known allergenic oil urushiol which is also a toxin found in the related poison ivy. Properly roasting cashews destroys the toxin, but it must be done outdoors as the smoke (not unlike that from burning poison ivy) contains urushiol droplets which can cause severe, sometimes life-threatening, reactions by irritating the lungs." [] comment: LanguaL curation note: When indexing the pecan fruit (drupe, seed) index both *PECAN [B1221]* and *FRUIT [C0167]* (or its more precise narrower terms). synonym: "Anacardium occidentale L." NARROW [] synonym: "cashew" EXACT [] synonym: "maranon" EXACT [] xref: GRIN:3060 xref: http://eol.org/pages/582263 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1221 xref: IT IS:28793 xref: ITIS:28793 xref: MANSFELD:28212 xref: PLANTS:ANOC is_a: FOODON:03411022 ! tropical or subtropical nut producing plant is_a: NCBITaxon:4011 ! Anacardiaceae property_value: hasSynonym "anacardium occidentale" xsd:string property_value: hasSynonym "cashew apple" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "cashew plant" xsd:string property_value: IAO:0000119 WIKIPEDIA:Anacardium_occidentale xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1728959 name: Aurantioideae is_a: NCBITaxon:23513 ! Rutaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1783272 name: Terrabacteria group namespace: ncbi_taxonomy xref: GC_ID:11 xref: PMID:18988685 xref: PMID:23851394 is_a: NCBITaxon:2 ! Bacteria property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:178616 name: Brassica oleracea var. gemmifera synonym: "Brussels sprouts" EXACT [] is_a: NCBITaxon:3712 ! Brassica oleracea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:1804623 name: Chenopodiaceae is_a: NCBITaxon:3524 ! Caryophyllales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:186623 name: Actinopteri is_a: NCBITaxon:7898 ! Actinopterygii property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:186625 name: Clupeocephala is_a: NCBITaxon:1489341 ! Osteoglossocephalai property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:186745 name: Scombrinae is_a: NCBITaxon:8224 ! Scombridae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:186749 name: Thunnini is_a: NCBITaxon:186745 ! Scombrinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:186820 name: Listeriaceae namespace: ncbi_taxonomy xref: GC_ID:11 is_a: NCBITaxon:1385 ! Bacillales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:2 name: Bacteria namespace: ncbi_taxonomy synonym: "bacteria" RELATED blast_name [] synonym: "eubacteria" EXACT genbank_common_name [] synonym: "Monera" RELATED in_part [] synonym: "Procaryotae" RELATED in_part [] synonym: "Prokaryota" RELATED in_part [] synonym: "Prokaryotae" RELATED in_part [] synonym: "prokaryote" RELATED in_part [] synonym: "prokaryotes" RELATED in_part [] xref: GC_ID:11 xref: PMID:10425795 xref: PMID:10425796 xref: PMID:10425797 xref: PMID:10490293 xref: PMID:10843050 xref: PMID:10939651 xref: PMID:10939673 xref: PMID:10939677 xref: PMID:11211268 xref: PMID:11321083 xref: PMID:11321113 xref: PMID:11411719 xref: PMID:11540071 xref: PMID:11542017 xref: PMID:11542087 xref: PMID:11760965 xref: PMID:12054223 xref: PMID:2112744 xref: PMID:270744 xref: PMID:7520741 xref: PMID:8123559 xref: PMID:8186100 xref: PMID:8590690 xref: PMID:9103655 xref: PMID:9336922 is_a: NCBITaxon:131567 ! cellular organisms property_value: has_rank NCBITaxon:superkingdom [Term] id: NCBITaxon:207598 name: Homininae namespace: ncbi_taxonomy synonym: "Homo/Pan/Gorilla group" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:9604 ! Hominidae property_value: has_rank NCBITaxon:subfamily property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:209 name: Helicobacter namespace: ncbi_taxonomy alt_id: NCBITaxon:28203 xref: GC_ID:11 xref: PMID:11156001 xref: PMID:15143020 xref: PMID:1704793 xref: PMID:17329766 xref: PMID:29034857 is_a: NCBITaxon:72293 ! Helicobacteraceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:210 name: Helicobacter pylori namespace: ncbi_taxonomy alt_id: NCBITaxon:219 synonym: "Campylobacter pylori" RELATED synonym [] synonym: "Campylobacter pylori subsp. pylori" RELATED synonym [] synonym: "Campylobacter pyloridis" RELATED synonym [] synonym: "Helicobacter nemestrinae" RELATED synonym [] xref: GC_ID:11 xref: PMID:11931154 xref: PMID:1995031 xref: PMID:8186097 xref: PMID:8494747 is_a: NCBITaxon:209 ! Helicobacter property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:213849 name: Campylobacterales namespace: ncbi_taxonomy xref: GC_ID:11 xref: PMID:16403855 is_a: NCBITaxon:29547 ! Epsilonproteobacteria property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:2157 name: Archaea is_a: OBI:0100026 ! organism [Term] id: NCBITaxon:217037 name: Vaccinioideae is_a: NCBITaxon:4345 ! Ericaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:217062 name: Vaccinieae is_a: NCBITaxon:217037 ! Vaccinioideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2231382 name: NPAAA clade is_a: NCBITaxon:2231393 ! 50 kb inversion clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2231390 name: Pterocarpus clade is_a: NCBITaxon:2231393 ! 50 kb inversion clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2231393 name: 50 kb inversion clade is_a: NCBITaxon:3814 ! Papilionoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2233838 name: Hologalegina is_a: NCBITaxon:2231382 ! NPAAA clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2233839 name: IRL clade is_a: NCBITaxon:2233838 ! Hologalegina property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2233855 name: indigoferoid/millettioid clade is_a: NCBITaxon:2231382 ! NPAAA clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:23211 name: Pyrus communis synonym: "pear" EXACT [] synonym: "Pyrus communis L." NARROW [] xref: GRIN:30474 xref: http://eol.org/pages/414311 xref: ITIS:25295 xref: MANSFELD:8689 xref: PLANTS:PYCO is_a: FOODON:03411344 ! pear plant is_a: NCBITaxon:3766 ! Pyrus property_value: hasSynonym "pyrus communis" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:232347 name: Magnoliidae synonym: "magnoliids" EXACT [] is_a: NCBITaxon:1437183 ! Mesangiospermae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:23513 name: Rutaceae synonym: "rue family" EXACT [] is_a: NCBITaxon:41937 ! Sapindales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:241778 name: Apioideae is_a: NCBITaxon:4037 ! Apiaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:241780 name: apioid superclade is_a: NCBITaxon:241778 ! Apioideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:241789 name: Scandiceae is_a: NCBITaxon:241778 ! Apioideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:241793 name: Apieae is_a: NCBITaxon:241780 ! apioid superclade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:241799 name: Daucinae is_a: NCBITaxon:241789 ! Scandiceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2559587 name: Riboviria namespace: ncbi_taxonomy synonym: "RNA viruses" EXACT common_name [] synonym: "RNA viruses and viroids" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:10239 ! Viruses property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:260674 name: Citrullus lanatus subsp. vulgaris synonym: "watermelon" EXACT [] is_a: NCBITaxon:3654 ! Citrullus lanatus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2698737 name: Sar namespace: ncbi_taxonomy synonym: "SAR supergroup" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:2759 ! Eukaryota property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:2706 name: Citrus is_a: NCBITaxon:1728959 ! Aurantioideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:27065 name: Theaceae synonym: "tea family" EXACT [] is_a: NCBITaxon:41945 ! Ericales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:2731342 name: Monodnaviria namespace: ncbi_taxonomy synonym: "single-stranded DNA viruses" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:10239 ! Viruses property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:2732092 name: Shotokuvirae namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2731342 ! Monodnaviria property_value: has_rank NCBITaxon:kingdom [Term] id: NCBITaxon:2732396 name: Orthornavirae namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2559587 ! Riboviria property_value: has_rank NCBITaxon:kingdom [Term] id: NCBITaxon:2732408 name: Pisuviricota namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732396 ! Orthornavirae property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:2732415 name: Cossaviricota namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732092 ! Shotokuvirae property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:2732421 name: Papovaviricetes namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732415 ! Cossaviricota property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:2732506 name: Pisoniviricetes namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732408 ! Pisuviricota property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:2732533 name: Zurhausenvirales namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732421 ! Papovaviricetes property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:2759 name: Eukaryota namespace: ncbi_taxonomy synonym: "Eucarya" RELATED synonym [] synonym: "Eucaryotae" RELATED synonym [] synonym: "eucaryotes" EXACT genbank_common_name [] synonym: "Eukarya" RELATED synonym [] synonym: "Eukaryotae" RELATED synonym [] synonym: "eukaryotes" EXACT common_name [] synonym: "eukaryotes" RELATED blast_name [] xref: GC_ID:1 xref: PMID:23020233 xref: PMID:30257078 is_a: NCBITaxon:131567 ! cellular organisms property_value: has_rank NCBITaxon:superkingdom property_value: has_rank NCBITaxon:superkingdom property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:27592 name: Bovinae is_a: NCBITaxon:9895 ! Bovidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:29547 name: Epsilonproteobacteria namespace: ncbi_taxonomy synonym: "Campylobacterota" RELATED synonym [] synonym: "e-proteobacteria" RELATED blast_name [] synonym: "epsilon proteobacteria" RELATED synonym [] synonym: "epsilon subdivision" RELATED synonym [] synonym: "epsilon subgroup" RELATED synonym [] synonym: "Epsilonbacteraeota" RELATED synonym [] synonym: "Proteobacteria epsilon subdivision" RELATED synonym [] synonym: "Purple bacteria, epsilon subdivision" RELATED synonym [] xref: GC_ID:11 xref: PMID:11837318 xref: PMID:16403855 xref: PMID:28484436 xref: PMID:29720974 is_a: NCBITaxon:68525 ! delta/epsilon subdivisions property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:314145 name: Laurasiatheria is_a: NCBITaxon:1437010 ! Boreoeutheria property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:314146 name: Euarchontoglires namespace: ncbi_taxonomy xref: GC_ID:1 xref: PMID:11214319 xref: PMID:12082125 xref: PMID:12878460 xref: PMID:15522813 is_a: NCBITaxon:1437010 ! Boreoeutheria property_value: has_rank NCBITaxon:superorder property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:314293 name: Simiiformes namespace: ncbi_taxonomy synonym: "Anthropoidea" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:376913 ! Haplorrhini property_value: has_rank NCBITaxon:infraorder property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:314295 name: Hominoidea namespace: ncbi_taxonomy synonym: "ape" EXACT common_name [] synonym: "apes" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:9526 ! Catarrhini property_value: has_rank NCBITaxon:superfamily [Term] id: NCBITaxon:3193 name: Embryophyta namespace: ncbi_taxonomy synonym: "higher plants" EXACT common_name [] synonym: "land plants" EXACT common_name [] synonym: "land plants" RELATED blast_name [] synonym: "plants" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:131221 ! Streptophytina property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:32443 name: Teleostei synonym: "teleost fishes" EXACT [] is_a: NCBITaxon:41665 ! Neopterygii property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:32523 name: Tetrapoda namespace: ncbi_taxonomy synonym: "tetrapods" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:1338369 ! Dipnotetrapodomorpha property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:32524 name: Amniota namespace: ncbi_taxonomy synonym: "amniotes" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:32523 ! Tetrapoda property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:32525 name: Theria namespace: ncbi_taxonomy synonym: "Theria" EXACT scientific_name [] xref: GC_ID:1 is_a: NCBITaxon:40674 ! Mammalia property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:32561 name: Sauria synonym: "diapsids" EXACT [] is_a: NCBITaxon:32524 ! Amniota property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3309 name: Ginkgoaceae is_a: NCBITaxon:1437180 ! Acrogymnospermae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:33090 name: Viridiplantae namespace: ncbi_taxonomy synonym: "Chlorobionta" RELATED synonym [] synonym: "Chlorophyta/Embryophyta group" EXACT equivalent_name [] synonym: "chlorophyte/embryophyte group" EXACT equivalent_name [] synonym: "Chloroplastida" RELATED synonym [] synonym: "green plants" EXACT common_name [] synonym: "green plants" RELATED blast_name [] xref: GC_ID:1 xref: PMID:16248873 xref: PMID:30257078 is_a: NCBITaxon:2759 ! Eukaryota property_value: has_rank NCBITaxon:kingdom property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3311 name: Ginkgo biloba comment: LanguaL curation note: When indexing the ginkgo fruit (nut) index both *GINGKO [B1260]* and *FRUIT [C0167]* (or its more precise narrower terms). synonym: "ginkgo" EXACT [] synonym: "ginkgo biloba" EXACT [] synonym: "Ginkgo biloba L." NARROW [] synonym: "maidenhair tree" EXACT [] xref: GRIN:17540 xref: http://eol.org/pages/1156278 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1260 xref: ITIS:183269 xref: PLANTS:GIBI2 is_a: FOODON:03411062 ! temperate-zone nut producing plant is_a: FOODON:03414168 ! plant used for dietary supplements is_a: NCBITaxon:3309 ! Ginkgoaceae property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "ginkgo tree" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:33154 name: Opisthokonta namespace: ncbi_taxonomy synonym: "Fungi/Metazoa group" RELATED synonym [] synonym: "opisthokonts" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:2759 ! Eukaryota property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:33208 name: Metazoa namespace: ncbi_taxonomy synonym: "Animalia" RELATED synonym [] synonym: "animals" RELATED blast_name [] synonym: "metazoans" EXACT genbank_common_name [] synonym: "multicellular animals" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:33154 ! Opisthokonta property_value: has_rank NCBITaxon:kingdom [Term] id: NCBITaxon:33213 name: Bilateria namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:6072 ! Eumetazoa property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:33511 name: Deuterostomia namespace: ncbi_taxonomy synonym: "deuterostomes" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:33213 ! Bilateria property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:33630 name: Alveolata namespace: ncbi_taxonomy synonym: "alveolates" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:2698737 ! Sar property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:3398 name: Magnoliopsida namespace: ncbi_taxonomy synonym: "Angiospermae" RELATED synonym [] synonym: "angiosperms" EXACT common_name [] synonym: "flowering plants" EXACT genbank_common_name [] synonym: "flowering plants" RELATED blast_name [] synonym: "Magnoliophyta" RELATED synonym [] xref: GC_ID:1 xref: PMID:25249442 is_a: NCBITaxon:58024 ! Spermatophyta property_value: has_rank NCBITaxon:class property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3432 name: Laurales is_a: NCBITaxon:232347 ! Magnoliidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3433 name: Lauraceae synonym: "laurel family" EXACT [] is_a: NCBITaxon:3432 ! Laurales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:34346 name: Schizosaccharomycetales namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:147554 ! Schizosaccharomycetes property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:3435 name: Persea americana synonym: "avocado" EXACT [] is_a: NCBITaxon:3433 ! Lauraceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3440 name: Ranunculaceae synonym: "buttercup family" EXACT [] is_a: NCBITaxon:41768 ! Ranunculales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3481 name: Cannabaceae namespace: ncbi_taxonomy synonym: "Cannabidaceae" EXACT equivalent_name [] synonym: "Cannabinaceae" EXACT equivalent_name [] synonym: "hemp family" EXACT common_name [] synonym: "hop family" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:3744 ! Rosales property_value: has_rank NCBITaxon:family property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3482 name: Cannabis namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:3481 ! Cannabaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:3483 name: Cannabis sativa namespace: ncbi_taxonomy synonym: "Cannabis sativa L." NARROW [] xref: GC_ID:1 xref: GRIN:8862 xref: http://eol.org/pages/594919 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2323 xref: ITIS:19109 xref: PLANTS:CASA3 is_a: FOODON:03411017 ! oil-producing plant is_a: NCBITaxon:3482 ! Cannabis property_value: has_rank NCBITaxon:species property_value: hasSynonym "cannabis sativa" xsd:string property_value: hasSynonym "marihuana plant" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "hemp plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3502 name: Fagales is_a: NCBITaxon:91835 ! fabids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3524 name: Caryophyllales is_a: NCBITaxon:1437201 ! Pentapetalae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:35493 name: Streptophyta namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:33090 ! Viridiplantae property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:35500 name: Pecora is_a: NCBITaxon:91561 ! Artiodactyla property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3555 name: Beta vulgaris subsp. vulgaris synonym: "field beet" EXACT [] synonym: "garden beet" EXACT [] synonym: "spinach chard" EXACT [] synonym: "sugar beet" EXACT [] synonym: "Swiss chard" EXACT [] synonym: "table beet" EXACT [] is_a: NCBITaxon:161934 ! Beta vulgaris property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3562 name: Spinacia oleracea def: "A vegetable with dark green, spear-shaped leaves that can be curled or smooth and are attached to thin stems." [] synonym: "Spinacea oleracea" EXACT [] synonym: "spinach" EXACT [] synonym: "Spinacia oleracea L." NARROW [] xref: GRIN:35256 xref: http://eol.org/pages/582002 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1420 xref: ITIS:20709 xref: MANSFELD:485 xref: PLANTS:SPOL is_a: FOODON:03411566 ! leafy vegetable plant is_a: NCBITaxon:1307775 ! Anserineae property_value: hasSynonym "spinacia oleracea" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "spinach plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:359160 name: BOP clade synonym: "BEP clade" EXACT [] is_a: NCBITaxon:4479 ! Poaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:364270 name: Apiineae is_a: NCBITaxon:91882 ! campanulids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3646 name: Malpighiales is_a: NCBITaxon:91835 ! fabids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3650 name: Cucurbitaceae synonym: "cucumber family" EXACT [] is_a: NCBITaxon:91835 ! fabids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3654 name: Citrullus lanatus synonym: "Citrullus lanatus (Thunb.) Matsum. & Nakai" NARROW [] synonym: "Citrullus lanatus (Thunb.) Matsumura & Nakai" NARROW [] synonym: "wild melon" EXACT [] xref: GRIN:10675 xref: http://eol.org/pages/584423 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1391 xref: ITIS:22356 xref: MANSFELD:3905 xref: PLANTS:CILA3 is_a: FOODON:03411283 ! melon plant is_a: NCBITaxon:1003877 ! Benincaseae relationship: in_taxon NCBITaxon:3654 ! Citrullus lanatus property_value: hasSynonym "citrullus lanatus" xsd:string property_value: hasSynonym "citrullus vulgaris" xsd:string property_value: hasSynonym "colocynthis citrullus" xsd:string property_value: hasSynonym "cucurbita citrullus" xsd:string property_value: hasSynonym "datiro" xsd:string property_value: hasSynonym "edible seed melon" xsd:string property_value: hasSynonym "equisi" xsd:string property_value: hasSynonym "kaffir melon" xsd:string property_value: hasSynonym "momordica lanata" xsd:string property_value: http://purl.org/dc/elements/1.1/date 2021-03-31T07:01:10Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000118 "watermelon plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3655 name: Cucumis is_a: NCBITaxon:1003877 ! Benincaseae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3656 name: Cucumis melo def: "Muskmelon (*Cucumis melo*) is a species of melon that has been developed into many cultivated varieties. These include smooth skinned varieties such as honeydew, crenshaw and casaba, and different netted cultivars (cantaloupe, Persian melon and Santa Claus or Christmas melon)." [] synonym: "Cucumis melo L." NARROW [] synonym: "Cucumis melo L. subsp. melo var. cantalupensis Naudin" NARROW [] synonym: "Cucumis melo L. var. cantalupensis Naudin" NARROW [] synonym: "muskmelon" EXACT [] synonym: "Oriental melon" EXACT [] xref: GRIN:12566 xref: http://eol.org/pages/584424 xref: ITIS:22362 xref: langual:thesaurus.asp?termid=B2067 xref: MANSFELD:3670 xref: PLANTS:CUME is_a: FOODON:03411283 ! melon plant is_a: NCBITaxon:3655 ! Cucumis property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Muskmelon property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3658 name: Cucumis melo var. cantalupo synonym: "cantaloupe" EXACT [] synonym: "Cucumis melo L. ssp. melo Cantaloupe Group" EXACT [] synonym: "netted muskmelon" EXACT [] synonym: "nutmeg melon" EXACT [] synonym: "Persian melo" EXACT [] xref: langual:thesaurus.asp?termid=B4224 is_a: NCBITaxon:412675 ! Cucumis melo subsp. melo property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:36596 name: Prunus armeniaca synonym: "apricot" EXACT [] synonym: "apricot tree" EXACT [] synonym: "Prunus armeniaca L." NARROW [] xref: GRIN:29841 xref: http://eol.org/pages/301091 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1529 xref: ITIS:24769 xref: MANSFELD:9372 xref: PLANTS:PRAR3 is_a: FOODON:03411062 ! temperate-zone nut producing plant is_a: FOODON:03411539 ! stone fruit plant is_a: NCBITaxon:3754 ! Prunus property_value: hasSynonym "prunus armeniaca" xsd:string property_value: http://purl.org/dc/elements/1.1/date 2022-02-17T22:47:24Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3660 name: Cucurbita synonym: "marrows" EXACT [] synonym: "pumpkins" EXACT [] synonym: "squashes" EXACT [] is_a: NCBITaxon:3650 ! Cucurbitaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3663 name: Cucurbita pepo synonym: "Cucurbita pepo L." NARROW [] xref: GRIN:12606 xref: ITIS:22373 xref: PLANTS:CUPE is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411174 ! edible seed producing plant is_a: FOODON:03411189 ! winter squash plant is_a: FOODON:03411190 ! summer squash plant is_a: NCBITaxon:3660 ! Cucurbita property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:36774 name: Brassica oleracea var. italica synonym: "asparagus broccoli" EXACT [] synonym: "broccoli" EXACT [] synonym: "sprouting broccoli" EXACT [] is_a: NCBITaxon:3712 ! Brassica oleracea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3699 name: Brassicales is_a: NCBITaxon:91836 ! malvids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3700 name: Brassicaceae synonym: "Cruciferae" EXACT [] synonym: "mustard family" EXACT [] is_a: NCBITaxon:3699 ! Brassicales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3705 name: Brassica is_a: NCBITaxon:981071 ! Brassiceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3712 name: Brassica oleracea def: "Kale or borecole is a form of cabbage (*Brassica oleracea* Acephala Group), green or purple, in which the central leaves do not form a head." [] comment: "It is considered to be closer to wild cabbage than most domesticated forms. The species *Brassica oleracea* contains a wide array of vegetables including broccoli, cauliflower, collard greens, and brussels sprouts. The cultivar group Acephala also includes spring greens and collard greens, which are extremely similar genetically." - Wikipedia synonym: "Brassica oleracea L." EXACT [] synonym: "Brassica oleracea L. var. conica DC." NARROW [] synonym: "wild cabbage" EXACT [] xref: GRIN:311416 xref: GRIN:319629 xref: GRIN:319632 xref: GRIN:7668 xref: GRIN:7670 xref: GRIN:7672 xref: http://eol.org/pages/583899 xref: ITIS:23062 xref: MANSFELD:23907 is_a: FOODON:03411179 ! spice or flavor-producing plant is_a: FOODON:03411281 ! kale plant is_a: FOODON:03411406 ! cabbage plant is_a: FOODON:03413358 ! plant used as fodder is_a: NCBITaxon:3705 ! Brassica property_value: hasSynonym "borecole" xsd:string property_value: hasSynonym "brassica oleracea convar. capitate var. conica" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3713 name: Brassica oleracea var. viridis synonym: "collards" EXACT [] synonym: "fodder kale" EXACT [] synonym: "kale" EXACT [] is_a: NCBITaxon:3712 ! Brassica oleracea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3715 name: Brassica oleracea var. botrytis synonym: "Brassica oleracea Cauliflower Group" EXACT [] synonym: "cauliflower" EXACT [] is_a: NCBITaxon:3712 ! Brassica oleracea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3716 name: Brassica oleracea var. capitata synonym: "Brassica oleracea var. capitata L." EXACT [] synonym: "cabbage" EXACT [] is_a: NCBITaxon:3712 ! Brassica oleracea property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3744 name: Rosales namespace: ncbi_taxonomy alt_id: NCBITaxon:3473 alt_id: NCBITaxon:3601 alt_id: NCBITaxon:4266 xref: GC_ID:1 is_a: NCBITaxon:91835 ! fabids property_value: has_rank NCBITaxon:order property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3745 name: Rosaceae synonym: "rose family" EXACT [] is_a: NCBITaxon:3744 ! Rosales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3746 name: Fragaria is_a: NCBITaxon:1184124 ! Fragariinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3747 name: Fragaria x ananassa synonym: "Fragaria x ananassa Duchesne" NARROW [] synonym: "Fragaria X ananassa Duchesne (pro sp.)" NARROW [] synonym: "Fragaria x ananassa Duchesne ex Rozier" NARROW [] synonym: "Fragaria ×ananassa (Weston) Duchesne ex Rozier (pro sp.)" NARROW [] synonym: "strawberry" EXACT [] xref: GRIN:244 xref: http://eol.org/pages/245515 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3336 xref: ITIS:24630 xref: MANSFELD:8618 xref: PLANTS:FRAN is_a: FOODON:03411393 ! strawberry plant is_a: NCBITaxon:3746 ! Fragaria property_value: hasSynonym "cultivated strawberry" xsd:string property_value: hasSynonym "fragaria x ananassa" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "garden strawberry plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3749 name: Malus is_a: NCBITaxon:721813 ! Maleae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3750 name: Malus domestica synonym: "apple" EXACT [] synonym: "apple tree" EXACT [] synonym: "cultivated apple" EXACT [] is_a: NCBITaxon:3749 ! Malus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3754 name: Prunus is_a: NCBITaxon:171637 ! Amygdaloideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3755 name: Prunus dulcis def: "A species of tree native to Iran and surrounding countries but widely cultivated elsewhere, which produces drupe fruit containing almond seed." [] synonym: "almond" EXACT [] synonym: "Prunus dulcis (Mill.) D. A. Webb" NARROW [] synonym: "Prunus dulcis (Mill.) D.A.Webb var. amara (DC.) Buchheim" NARROW [] synonym: "Prunus dulcis (Mill.) D.A.Webb var. dulcis" NARROW [] synonym: "Prunus dulcis (P. Mill.) D.A. Webber" NARROW [] synonym: "sweet almond" EXACT [] xref: GRIN:29890 xref: ITIS:24775 is_a: FOODON:03411272 ! almond tree is_a: NCBITaxon:3754 ! Prunus property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 https://en.wikipedia.org/wiki/Almond property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3760 name: Prunus persica def: "A species of Prunus (Prunus persica) native to China that bears an edible juicy fruit called a peach or nectarine." [] comment: Cultivated peaches are divided into clingstones and freestones, depending on whether the flesh sticks to the stone or not; both can have either white or yellow flesh. synonym: "peach" EXACT [] synonym: "Prunus persica (L.) Batsch" NARROW [] synonym: "Prunus persica (L.) Batsch var. persica" NARROW [] xref: GRIN:30065 xref: http://eol.org/pages/631649 xref: ITIS:24765 xref: langual:thesaurus.asp?termid=B1350 xref: MANSFELD:9402 xref: PLANTS:PRPE3 xref: PLANTS:PRPEP2 is_a: FOODON:03411539 ! stone fruit plant is_a: NCBITaxon:3754 ! Prunus property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000118 "peach tree" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Peach property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:37656 name: Citrus x paradisi synonym: "grapefruit" EXACT [] is_a: NCBITaxon:2706 ! Citrus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3766 name: Pyrus synonym: "pears" EXACT [] is_a: NCBITaxon:721813 ! Maleae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:376913 name: Haplorrhini namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:9443 ! Primates property_value: has_rank NCBITaxon:suborder [Term] id: NCBITaxon:3803 name: Fabaceae synonym: "pea family" EXACT [] is_a: NCBITaxon:72025 ! Fabales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:381124 name: Zea mays subsp. mays synonym: "corn" EXACT [] synonym: "Indian corn" EXACT [] synonym: "maize" EXACT [] synonym: "Zea mays subsp. sacharata" EXACT [] is_a: NCBITaxon:4577 ! Zea mays property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3814 name: Papilionoideae is_a: NCBITaxon:3803 ! Fabaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3818 name: Arachis hypogaea synonym: "Arachis hypogaea L." NARROW [] synonym: "goober" EXACT [] synonym: "ground-nut" EXACT [] synonym: "peanut" EXACT [] xref: GRIN:3785 xref: http://eol.org/pages/4277 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1337 xref: ITIS:26463 xref: MANSFELD:29861 xref: PLANTS:ARHY is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411156 ! pod or seed vegetable plant is_a: FOODON:03411213 ! nut producing plant is_a: NCBITaxon:2231390 ! Pterocarpus clade property_value: hasSynonym "arachis hypogaea" xsd:string property_value: hasSynonym "earthnut" xsd:string property_value: hasSynonym "groundnut" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "peanut plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3847 name: Glycine max def: "The soybean or soya bean (Glycine max) is a species of legume native to East Asia, widely grown for its edible bean, which has numerous uses. Traditional unfermented food uses of soybeans include soy milk, from which tofu and tofu skin are made. Fermented soy foods include soy sauce, fermented bean paste, nattō, and tempeh." [] synonym: "glycine max" EXACT [] synonym: "Glycine max (L.) Merr." NARROW [] synonym: "soya bean" BROAD [] synonym: "soybean" BROAD [] synonym: "soybean" EXACT [] synonym: "soybeans" EXACT [] xref: GRIN:17711 xref: http://eol.org/pages/4277 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1452 xref: ITIS:26716 xref: MANSFELD:27017 xref: PLANTS:GLMA4 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03411049 ! protein-producing plant is_a: FOODON:03411174 ! edible seed producing plant is_a: FOODON:03411567 ! bean plant is_a: FOODON:03414168 ! plant used for dietary supplements is_a: NCBITaxon:163735 ! Phaseoleae property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "soybean plant" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Soybean xsd:anyURI property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3864 name: Lens culinaris synonym: "lentil" EXACT [] is_a: NCBITaxon:163743 ! Fabeae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:38820 name: Poales is_a: NCBITaxon:4734 ! commelinids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3883 name: Phaseolus is_a: NCBITaxon:163735 ! Phaseoleae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3884 name: Phaseolus lunatus synonym: "lima bean" EXACT [] is_a: NCBITaxon:3883 ! Phaseolus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3885 name: Phaseolus vulgaris synonym: "French bean" EXACT [] synonym: "kidney bean" EXACT [] synonym: "string bean" EXACT [] is_a: NCBITaxon:3883 ! Phaseolus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:3888 name: Pisum sativum def: "The pea is most commonly the small spherical seed or the seed-pod of the pod fruit *Pisum sativum*." [] comment: Green "garden" peas, eaten immature and fresh, were an innovative luxury of Early Modern Europe. In England, the distinction between "field peas" and "garden peas" dates from the early 17th century. synonym: "dry pea plant" EXACT [] synonym: "english pea plant" EXACT [] synonym: "garden pea" EXACT [] synonym: "garden pea plant" EXACT [] synonym: "pea" EXACT [] synonym: "peas" EXACT [] synonym: "Pisum sativum L." NARROW [] xref: GRIN:300472 xref: http://eol.org/pages/703192 xref: http://www.langual.org/langual_thesaurus.asp?termid=B3484 xref: ITIS:26867 xref: PLANTS:PISA6 is_a: FOODON:03411001 ! pea plant edible seed cultivars is_a: NCBITaxon:163743 ! Fabeae property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "garden pea plant" xsd:string property_value: IAO:0000119 WIKIPEDIA:Pisum_sativum xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4004 name: Linaceae synonym: "flax family" EXACT [] is_a: NCBITaxon:3646 ! Malpighiales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4006 name: Linum usitatissimum synonym: "flax" EXACT [] synonym: "Linum usitatissimum L." NARROW [] xref: GRIN:22361 xref: http://eol.org/pages/581568 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1700 xref: ITIS:29226 xref: PLANTS:LIUS is_a: FOODON:03411017 ! oil-producing plant is_a: NCBITaxon:4004 ! Linaceae property_value: hasSynonym "common flax" xsd:string property_value: hasSynonym "cultivated flax" xsd:string property_value: hasSynonym "flax, common" xsd:string property_value: hasSynonym "flax, cultivated" xsd:string property_value: hasSynonym "lin" xsd:string property_value: hasSynonym "linum usitatissimum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "flax plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4011 name: Anacardiaceae synonym: "sumac family" EXACT [] is_a: NCBITaxon:41937 ! Sapindales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4037 name: Apiaceae synonym: "carrot family" EXACT [] is_a: NCBITaxon:364270 ! Apiineae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4038 name: Daucus is_a: NCBITaxon:241799 ! Daucinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4039 name: Daucus carota synonym: "carrot" EXACT [] synonym: "carrots" EXACT [] synonym: "Queen Anne's lace" EXACT [] is_a: NCBITaxon:4038 ! Daucus property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4050 name: Araliaceae synonym: "ginseng family" EXACT [] is_a: NCBITaxon:364270 ! Apiineae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4053 name: Panax is_a: NCBITaxon:4050 ! Araliaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:40548 name: Dioscoreales is_a: NCBITaxon:1437197 ! Petrosaviidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:40674 name: Mammalia namespace: ncbi_taxonomy synonym: "mammals" EXACT genbank_common_name [] synonym: "mammals" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:32524 ! Amniota property_value: has_rank NCBITaxon:class property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4069 name: Solanales is_a: NCBITaxon:91888 ! lamiids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4070 name: Solanaceae synonym: "nightshade family" EXACT [] is_a: NCBITaxon:4069 ! Solanales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4071 name: Capsicum synonym: "peppers" EXACT [] is_a: NCBITaxon:424551 ! Solanoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4072 name: Capsicum annuum synonym: "C annuum" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=B2550 is_a: FOODON:03412559 ! poblano pepper plant is_a: NCBITaxon:4071 ! Capsicum property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "ancho pepper plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4081 name: Solanum lycopersicum synonym: "Lycopersicon esculentum Mill." NARROW [] synonym: "Lycopersicon esculentum var. esculentum P. Mill." NARROW [] synonym: "Solanum lycopersicum L." NARROW [] synonym: "tomato" EXACT [] xref: GRIN:101442 xref: http://eol.org/pages/392557 xref: ITIS:521671 xref: ITIS:529044 xref: MANSFELD:6054 is_a: FOODON:03411276 ! tomato plant is_a: NCBITaxon:4107 ! Solanum property_value: hasSynonym "lycopersicon esculentum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000119 WIKIPEDIA:Tomato xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:40922 name: Anethum graveolens synonym: "Anethum graveolens L." NARROW [] synonym: "dill" EXACT [] xref: GRIN:3412 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1277 xref: MANSFELD:1571 is_a: FOODON:03411179 ! spice or flavor-producing plant is_a: NCBITaxon:241793 ! Apieae property_value: http://purl.org/dc/elements/1.1/date 2021-08-14T18:58:48Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000118 "dill plant" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4107 name: Solanum is_a: NCBITaxon:424551 ! Solanoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4111 name: Solanum melongena synonym: "aubergine" EXACT [] synonym: "brinjal" EXACT [] synonym: "eggplant" EXACT [] is_a: NCBITaxon:4107 ! Solanum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4113 name: Solanum tuberosum synonym: "potato" EXACT [] synonym: "potatoes" EXACT [] is_a: NCBITaxon:4107 ! Solanum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4118 name: Convolvulaceae synonym: "morning-glory family" EXACT [] is_a: NCBITaxon:4069 ! Solanales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4119 name: Ipomoea is_a: NCBITaxon:4118 ! Convolvulaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4120 name: Ipomoea batatas def: "The sweet potato (*Ipomoea batatas*) is a dicotyledonous plant that belongs to the bindweed or morning glory family, *Convolvulaceae*. Its large, starchy, sweet-tasting, tuberous roots are a root vegetable. The young leaves and shoots are sometimes eaten as greens. The sweet potato is only distantly related to the potato (*Solanum tuberosum*) and does not belong to the nightshade family, *Solanaceae*, but both families belong to the same taxonomic order, the Solanales.[https://en.wikipedia.org/wiki/Sweet_potato]" [] synonym: "batate" EXACT [] synonym: "Ipomoea batatas (L.) Lam." NARROW [] synonym: "Ipomoea batatas (L.) Poiret" NARROW [] synonym: "sweet potato" EXACT [] xref: GRIN:20142 xref: http://eol.org/pages/580962 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1106 xref: ITIS:30764 xref: MANSFELD:21565 xref: PLANTS:IPBA2 is_a: FOODON:03411018 ! vegetable-producing plant, root, tuber or bulb is_a: FOODON:03414741 ! morning-glory family is_a: NCBITaxon:4119 ! Ipomoea property_value: hasSynonym "ipomoea batatas" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "sweet potato plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:412675 name: Cucumis melo subsp. melo is_a: NCBITaxon:3656 ! Cucumis melo property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:41665 name: Neopterygii is_a: NCBITaxon:186623 ! Actinopteri property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:41705 name: Protacanthopterygii is_a: NCBITaxon:1489388 ! Euteleosteomorpha property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:41768 name: Ranunculales is_a: NCBITaxon:1437183 ! Mesangiospermae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:41937 name: Sapindales is_a: NCBITaxon:91836 ! malvids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:41945 name: Ericales is_a: NCBITaxon:71274 ! asterids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4210 name: Asteraceae synonym: "Compositae" EXACT [] synonym: "daisy family" EXACT [] is_a: NCBITaxon:91882 ! campanulids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:423054 name: Eimeriorina namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:75739 ! Eucoccidiorida property_value: has_rank NCBITaxon:suborder [Term] id: NCBITaxon:424551 name: Solanoideae is_a: NCBITaxon:4070 ! Solanaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4345 name: Ericaceae synonym: "heath family" EXACT [] is_a: NCBITaxon:41945 ! Ericales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4442 name: Camellia sinensis synonym: "black tea" EXACT [] synonym: "Camellia sinensis (L.) Kuntze" NARROW [] synonym: "Camellia sinensis (L.) O. Kuntze" NARROW [] xref: GRIN:8732 xref: http://eol.org/pages/482447 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1623 xref: ITIS:506801 xref: MANSFELD:4999 xref: PLANTS:CASI16 is_a: FOODON:03412126 ! coffee or tea plant is_a: FOODON:03414168 ! plant used for dietary supplements is_a: NCBITaxon:27065 ! Theaceae property_value: hasSynonym "camellia sinensis" xsd:string property_value: hasSynonym "camellia thea" xsd:string property_value: hasSynonym "thea sinensis" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "tea plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4447 name: Liliopsida synonym: "monocots" EXACT [] synonym: "monocotyledons" EXACT [] is_a: NCBITaxon:1437183 ! Mesangiospermae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4479 name: Poaceae synonym: "grass family" EXACT [] is_a: NCBITaxon:38820 ! Poales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4498 name: Avena sativa def: "A species of cereal grain grown for its seed, which is known by the same name (usually in the plural, unlike other cereals and pseudocereals)." [] synonym: "Avena sativa L." NARROW [] synonym: "cultivated oat" EXACT [] synonym: "cultivated oats" EXACT [] synonym: "oat plant" EXACT [] synonym: "oats" EXACT [] xref: GRIN:6123 xref: http://eol.org/pages/1114783 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1219 xref: ITIS:41459 xref: MANSFELD:33218 xref: PLANTS:AVSA is_a: FOODON:03414319 ! oat plant is_a: NCBITaxon:1652080 ! Poeae Chloroplast Group 1 (Aveneae type) property_value: hasSynonym "avena sativa" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "common oat plant" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Oat property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:451864 name: Dikarya namespace: ncbi_taxonomy xref: GC_ID:1 xref: PMID:15689432 xref: PMID:16151185 xref: PMID:17010206 xref: PMID:17051209 xref: PMID:17572334 is_a: NCBITaxon:4751 ! Fungi property_value: has_rank NCBITaxon:subkingdom property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:451866 name: Taphrinomycotina namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:4890 ! Ascomycota property_value: has_rank NCBITaxon:subphylum [Term] id: NCBITaxon:4527 name: Oryza is_a: NCBITaxon:147380 ! Oryzeae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4530 name: Oryza sativa synonym: "Asian cultivated rice" EXACT [] synonym: "asian rice" EXACT [] synonym: "red rice" EXACT [] synonym: "rice" EXACT [] is_a: FOODON:03411322 ! rice plant is_a: NCBITaxon:4527 ! Oryza property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4538 name: Oryza glaberrima def: "A domesticated rice species commonly known as African rice." [] comment: It was first domesticated and grown in West Africa, and was brought to the Americas by enslaved West African rice farmers. It is now largely a subsistence crop, rarely sold in markets even in West Africa. While it has been partly replaced by higher-yielding Asian rice, and the number of varieties grown is declining, it persists, making up an estimated 20% of rice grown in West Africa.\n\nIn comparison to Asian rice, it is hardy, pest-resistant, low-labour, suited to a variety of African conditions, filling, and has a distinct nutty flavour. \nCrossbreeding between African and Asian rice is difficult, but there exist some crosses. synonym: "African rice" EXACT [] synonym: "Oryza glaberrima Steud." NARROW [] synonym: "Oryza glaberrima Steudel" NARROW [] synonym: "red rice" RELATED [] xref: GRIN:26062 xref: http://eol.org/pages/1115583 xref: http://www.langual.org/langual_thesaurus.asp?termid=B2512 xref: ITIS:506651 xref: PLANTS:ORGL2 is_a: FOODON:03411322 ! rice plant is_a: NCBITaxon:4527 ! Oryza property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000118 "african rice plant" xsd:string property_value: IAO:0000119 Oryza:glaberrima property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4564 name: Triticum is_a: NCBITaxon:147389 ! Triticeae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4565 name: Triticum aestivum synonym: "bread wheat" EXACT [] synonym: "Canadian hard winter wheat" EXACT [] synonym: "common wheat" EXACT [] synonym: "wheat" EXACT [] is_a: NCBITaxon:4564 ! Triticum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4567 name: Triticum turgidum subsp. durum def: "Durum wheat, also called pasta wheat or macaroni wheat (Triticum durum or Triticum turgidum subsp. durum),[4] is a tetraploid species of wheat. It is the second most cultivated species of wheat after common wheat, although it represents only 5% to 8% of global wheat production." [] synonym: "durum wheat" EXACT [] synonym: "Triticum durum Desf." NARROW [] synonym: "Triticum turgidum L. ssp. durum" NARROW [] synonym: "Triticum turgidum subsp. durum (Desf.) Husn." NARROW [] xref: GRIN:406896 xref: http://eol.org/pages/8223 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1079 xref: MANSFELD:34092 xref: PLANTS:TRDU3 is_a: FOODON:03411312 ! wheat plant is_a: NCBITaxon:4571 ! Triticum turgidum property_value: hasSynonym "macaroni wheat" xsd:string property_value: hasSynonym "pasta wheat" xsd:string property_value: hasSynonym "triticum durum" xsd:string property_value: hasSynonym "triticum ispahanicum ssp. durum" xsd:string property_value: hasSynonym "triticum turgidum var. durum" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000118 "durum wheat plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl property_value: seeAlso https://www.nature.com/articles/s41588-019-0381-3 xsd:string [Term] id: NCBITaxon:4571 name: Triticum turgidum synonym: "cone wheat" EXACT [] synonym: "English wheat" EXACT [] synonym: "poulard wheat" EXACT [] synonym: "rivet wheat" EXACT [] is_a: NCBITaxon:4564 ! Triticum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4577 name: Zea mays comment: FoodOn Note: the NCBITaxon exact synonym "maize" is more appropriate for "Zea mays subsp. mays" synonym: "maize" EXACT [] is_a: NCBITaxon:147429 ! Andropogoneae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4618 name: Zingiberales is_a: NCBITaxon:4734 ! commelinids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4637 name: Musaceae synonym: "banana family" EXACT [] is_a: NCBITaxon:4618 ! Zingiberales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4640 name: Musa def: "Banana is the common name for herbaceous plants of the genus Musa and for the fruit they produce." [] synonym: "Musa" NARROW [] synonym: "Musa L." NARROW [] synonym: "Musa sp." NARROW [] xref: GRIN:312415 xref: http://eol.org/pages/4249 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4270 xref: PLANTS:MUSA2 is_a: FOODON:03413391 ! tropical or subtropical fruit - inedible peel plant is_a: NCBITaxon:4637 ! Musaceae property_value: hasSynonym "musa spp." xsd:string property_value: http://purl.org/dc/elements/1.1/date 2021-03-19T03:27:12Z xsd:dateTime property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000118 "banana plant" xsd:string property_value: IAO:0000119 WIKIPEDIA:Banana xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:464095 name: Picornavirales namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:2732506 ! Pisoniviricetes property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:4642 name: Zingiberaceae synonym: "ginger family" EXACT [] is_a: NCBITaxon:4618 ! Zingiberales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4650 name: Zingiber is_a: NCBITaxon:4642 ! Zingiberaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4668 name: Amaryllidaceae synonym: "amaryllis family" EXACT [] is_a: NCBITaxon:73496 ! Asparagales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4671 name: Dioscoreaceae synonym: "yam family" EXACT [] is_a: NCBITaxon:40548 ! Dioscoreales property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4672 name: Dioscorea synonym: "Dioscorea species" NARROW [] xref: GRIN:14175 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1181 xref: MANSFELD:18574 is_a: FOODON:03413396 ! yam plant is_a: NCBITaxon:4671 ! Dioscoreaceae property_value: hasSynonym "dioscorea alata" xsd:string property_value: hasSynonym "greater yam" xsd:string property_value: hasSynonym "guyana arrowroot" xsd:string property_value: hasSynonym "water yam" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "yam, tropical (plant)" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4678 name: Allium is_a: NCBITaxon:4668 ! Amaryllidaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4679 name: Allium cepa synonym: "Allium cepa L." NARROW [] synonym: "onion" EXACT [] synonym: "pickling onion" NARROW [] xref: GRIN:2244 xref: http://eol.org/pages/8187 xref: ITIS:42720 xref: PLANTS:ALCE is_a: FOODON:03411300 ! onion plant is_a: NCBITaxon:4678 ! Allium property_value: hasSynonym "allium cepa" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4710 name: Arecaceae synonym: "palm family" EXACT [] synonym: "Palmae" EXACT [] synonym: "palms" EXACT [] is_a: NCBITaxon:4734 ! commelinids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4734 name: commelinids is_a: NCBITaxon:1437197 ! Petrosaviidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4751 name: Fungi namespace: ncbi_taxonomy synonym: "fungi" RELATED blast_name [] synonym: "Mycota" RELATED synonym [] xref: GC_ID:1 xref: PMID:11062127 xref: PMID:12684019 is_a: NCBITaxon:33154 ! Opisthokonta property_value: has_rank NCBITaxon:kingdom property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4890 name: Ascomycota namespace: ncbi_taxonomy synonym: "ascomycete fungi" RELATED blast_name [] synonym: "ascomycetes" EXACT genbank_common_name [] synonym: "sac fungi" EXACT common_name [] xref: GC_ID:1 xref: PMID:17572334 is_a: NCBITaxon:451864 ! Dikarya property_value: has_rank NCBITaxon:phylum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:4891 name: Saccharomycetes namespace: ncbi_taxonomy synonym: "Hemiascomycetes" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:147537 ! Saccharomycotina property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:4892 name: Saccharomycetales namespace: ncbi_taxonomy synonym: "budding yeasts" RELATED blast_name [] synonym: "Endomycetales" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:4891 ! Saccharomycetes property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:4893 name: Saccharomycetaceae namespace: ncbi_taxonomy alt_id: NCBITaxon:221665 alt_id: NCBITaxon:44280 xref: GC_ID:1 is_a: NCBITaxon:4892 ! Saccharomycetales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:4894 name: Schizosaccharomycetaceae namespace: ncbi_taxonomy synonym: "fission yeasts" EXACT genbank_common_name [] synonym: "Schizosaccharomycetoideae" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:34346 ! Schizosaccharomycetales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:4895 name: Schizosaccharomyces namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:4894 ! Schizosaccharomycetaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:4896 name: Schizosaccharomyces pombe namespace: ncbi_taxonomy alt_id: NCBITaxon:45042 synonym: "fission yeast" EXACT genbank_common_name [] synonym: "Schizosaccharomyces malidevorans" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:4895 ! Schizosaccharomyces property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:4930 name: Saccharomyces namespace: ncbi_taxonomy alt_id: NCBITaxon:36915 synonym: "Pachytichospora" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:4893 ! Saccharomycetaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:4932 name: Saccharomyces cerevisiae namespace: ncbi_taxonomy synonym: "baker's yeast" EXACT genbank_common_name [] synonym: "brewer's yeast" EXACT common_name [] synonym: "Candida robusta" RELATED synonym [] synonym: "Mycoderma cerevisiae" RELATED synonym [] synonym: "S. cerevisiae" EXACT common_name [] synonym: "Saccharomyces capensis" RELATED synonym [] synonym: "Saccharomyces italicus" RELATED synonym [] synonym: "Saccharomyces oviformis" RELATED synonym [] synonym: "Saccharomyces uvarum var. melibiosus" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:4930 ! Saccharomyces property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:5098 name: Monascus purpureus is_a: NCBITaxon:716546 ! leotiomyceta property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:543 name: Enterobacteriaceae namespace: ncbi_taxonomy synonym: "Enterobacteraceae" RELATED synonym [] synonym: "enterobacteria" RELATED blast_name [] synonym: "gamma-3 proteobacteria" RELATED in_part [] xref: GC_ID:11 xref: PMID:10555323 xref: PMID:10555334 xref: PMID:16166704 xref: PMID:27620848 is_a: NCBITaxon:91347 ! Enterobacterales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:561 name: Escherichia namespace: ncbi_taxonomy xref: GC_ID:11 xref: PMID:19700542 is_a: NCBITaxon:543 ! Enterobacteriaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:562 name: Escherichia coli namespace: ncbi_taxonomy alt_id: NCBITaxon:1637691 alt_id: NCBITaxon:1806490 alt_id: NCBITaxon:469598 alt_id: NCBITaxon:662101 alt_id: NCBITaxon:662104 synonym: "Bacillus coli" RELATED synonym [] synonym: "Bacterium coli" RELATED synonym [] synonym: "Bacterium coli commune" RELATED synonym [] synonym: "E. coli" EXACT common_name [] synonym: "Enterococcus coli" RELATED synonym [] synonym: "Escherichia/Shigella coli" EXACT equivalent_name [] xref: GC_ID:11 xref: PMID:10319482 is_a: NCBITaxon:561 ! Escherichia property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:5794 name: Apicomplexa namespace: ncbi_taxonomy synonym: "apicomplexans" EXACT genbank_common_name [] synonym: "apicomplexans" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:33630 ! Alveolata property_value: has_rank NCBITaxon:phylum [Term] id: NCBITaxon:5796 name: Coccidia namespace: ncbi_taxonomy synonym: "coccidians" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:1280412 ! Conoidasida property_value: has_rank NCBITaxon:subclass [Term] id: NCBITaxon:58023 name: Tracheophyta namespace: ncbi_taxonomy synonym: "vascular plants" EXACT common_name [] synonym: "vascular plants" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:3193 ! Embryophyta property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:58024 name: Spermatophyta namespace: ncbi_taxonomy synonym: "seed plants" EXACT common_name [] synonym: "seed plants" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:78536 ! Euphyllophyta property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:5809 name: Sarcocystidae namespace: ncbi_taxonomy synonym: "Sarcocystids" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:423054 ! Eimeriorina property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:5810 name: Toxoplasma namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:5809 ! Sarcocystidae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:5811 name: Toxoplasma gondii namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:5810 ! Toxoplasma property_value: has_rank NCBITaxon:species [Term] id: NCBITaxon:590 name: Salmonella namespace: ncbi_taxonomy xref: GC_ID:11 xref: PMID:10319519 xref: PMID:10939679 xref: PMID:12072558 xref: PMID:15653929 xref: PMID:15653930 xref: PMID:3231714 xref: PMID:9731304 is_a: NCBITaxon:543 ! Enterobacteriaceae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:6072 name: Eumetazoa namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:33208 ! Metazoa property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:64040 name: Actaea racemosa is_a: NCBITaxon:1463138 ! Ranunculoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:65561 name: Hypericum perforatum synonym: "Hypericum perforatum L." NARROW [] xref: GRIN:19600 xref: http://eol.org/pages/584888 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4196 xref: ITIS:21454 xref: PLANTS:HYPE is_a: FOODON:03414168 ! plant used for dietary supplements is_a: NCBITaxon:3646 ! Malpighiales property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "perforate st. john's-wort plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:68525 name: delta/epsilon subdivisions namespace: ncbi_taxonomy xref: GC_ID:11 xref: PMID:11837318 is_a: NCBITaxon:1224 ! Proteobacteria property_value: has_rank NCBITaxon:subphylum [Term] id: NCBITaxon:71240 name: eudicotyledons namespace: ncbi_taxonomy alt_id: NCBITaxon:3399 synonym: "dicots" RELATED in_part [] synonym: "Dicotyledoneae" RELATED in_part [] synonym: "dicotyledons" RELATED in_part [] synonym: "eudicots" RELATED blast_name [] xref: GC_ID:1 xref: PMID:25249442 xref: PMID:26724406 is_a: NCBITaxon:1437183 ! Mesangiospermae property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:71274 name: asterids synonym: "Asteridae" EXACT [] is_a: NCBITaxon:1437201 ! Pentapetalae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:71275 name: rosids namespace: ncbi_taxonomy synonym: "Rosidae" RELATED in_part [] xref: GC_ID:1 is_a: NCBITaxon:1437201 ! Pentapetalae property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:716545 name: saccharomyceta namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:4890 ! Ascomycota property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:716546 name: leotiomyceta is_a: NCBITaxon:147538 ! Pezizomycotina property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:72025 name: Fabales is_a: NCBITaxon:91835 ! fabids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:721789 name: Potentilleae is_a: NCBITaxon:171638 ! Rosoideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:721813 name: Maleae is_a: NCBITaxon:171637 ! Amygdaloideae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:72293 name: Helicobacteraceae namespace: ncbi_taxonomy synonym: "Helicobacter group" RELATED synonym [] xref: GC_ID:11 xref: PMID:16403855 xref: PMID:29034857 is_a: NCBITaxon:213849 ! Campylobacterales property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:73496 name: Asparagales is_a: NCBITaxon:1437197 ! Petrosaviidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:742010 name: Carduinae is_a: NCBITaxon:102818 ! Cardueae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:75739 name: Eucoccidiorida namespace: ncbi_taxonomy synonym: "Eucoccidiida" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:5796 ! Coccidia property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:7711 name: Chordata namespace: ncbi_taxonomy synonym: "chordates" EXACT genbank_common_name [] synonym: "chordates" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:33511 ! Deuterostomia property_value: has_rank NCBITaxon:phylum property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:7742 name: Vertebrata namespace: ncbi_taxonomy synonym: "Vertebrata" EXACT scientific_name [] synonym: "vertebrates" EXACT genbank_common_name [] synonym: "vertebrates" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:89593 ! Craniata property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:7776 name: Gnathostomata namespace: ncbi_taxonomy synonym: "Gnathostomata" EXACT scientific_name [] synonym: "jawed vertebrates" EXACT genbank_common_name [] xref: GC_ID:1 is_a: NCBITaxon:7742 ! Vertebrata property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:78536 name: Euphyllophyta namespace: ncbi_taxonomy synonym: "euphyllophytes" EXACT equivalent_name [] xref: GC_ID:1 is_a: NCBITaxon:58023 ! Tracheophyta property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:7898 name: Actinopterygii synonym: "fish" EXACT [] synonym: "fishes" EXACT [] synonym: "ray-finned fishes" EXACT [] is_a: NCBITaxon:117571 ! Euteleostomi property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8006 name: Salmoniformes synonym: "salmons and trouts" EXACT [] is_a: NCBITaxon:41705 ! Protacanthopterygii property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8015 name: Salmonidae synonym: "salmon" EXACT [] synonym: "salmonids" EXACT [] is_a: NCBITaxon:8006 ! Salmoniformes property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8043 name: Gadiformes synonym: "cods and others" EXACT [] is_a: NCBITaxon:1489841 ! Zeiogadaria property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8045 name: Gadidae synonym: "cods" EXACT [] synonym: "tadpole cod" EXACT [] is_a: NCBITaxon:1489845 ! Gadoidei property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8056 name: Melanogrammus aeglefinus synonym: "haddock" BROAD [] {http://purl.obolibrary.org/obo/IAO_0000412="FDA SFL Acceptable Market Name"} synonym: "haddock" EXACT [] {http://purl.obolibrary.org/obo/IAO_0000412="FDA SFL Common Name"} synonym: "haddock" EXACT [] synonym: "Melanogrammus aeglefinus" NARROW [] synonym: "Melanogrammus aeglefinus (Linnaeus, 1758)" NARROW [] xref: 2010 FDA Seafood List: xref: CEC 1993:447 xref: FAO ASFIS:HAD xref: FDA RFE 2010:37 xref: http://eol.org/pages/212899 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1441 xref: ITIS:164744 is_a: FOODON:03411835 ! cod family is_a: NCBITaxon:8045 ! Gadidae property_value: hasSynonym "gadus aeglifinus" xsd:string property_value: hasSynonym "melanogrammus aeglefinus" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "haddock" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl property_value: seeAlso https://en.wikipedia.org/wiki/Haddock xsd:string [Term] id: NCBITaxon:8224 name: Scombridae synonym: "mackerels" EXACT [] synonym: "tunas" EXACT [] is_a: NCBITaxon:1489894 ! Scombriformes property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8234 name: Thunnus is_a: NCBITaxon:186749 ! Thunnini property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8235 name: Thunnus alalunga synonym: "albacore" EXACT [] {http://purl.obolibrary.org/obo/IAO_0000412="FDA SFL Common Name"} synonym: "albacore" EXACT [] synonym: "Thunnus alalunga" NARROW [] synonym: "Thunnus alalunga (Bonnaterre, 1788)" NARROW [] synonym: "tuna" BROAD [] {http://purl.obolibrary.org/obo/IAO_0000412="FDA SFL Acceptable Market Name"} xref: 2010 FDA Seafood List: xref: CEC 1993:996 xref: FAO ASFIS:ALB xref: FDA RFE 2010:89 xref: http://eol.org/pages/205933 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1506 xref: ITIS:172419 is_a: FOODON:03413989 ! albacore and tuna is_a: NCBITaxon:8234 ! Thunnus property_value: hasSynonym "thunnus alalunga" xsd:string property_value: hasSynonym "thunnus germo" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "albacore" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl property_value: seeAlso https://en.wikipedia.org/wiki/Albacore xsd:string [Term] id: NCBITaxon:8287 name: Sarcopterygii namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:117571 ! Euteleostomi property_value: has_rank NCBITaxon:superclass [Term] id: NCBITaxon:8492 name: Archosauria is_a: NCBITaxon:1329799 ! Archelosauria property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8782 name: Aves synonym: "birds" EXACT [] is_a: NCBITaxon:8492 ! Archosauria property_value: hasSynonym "avian" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:8825 name: Neognathae is_a: NCBITaxon:8782 ! Aves property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:89593 name: Craniata namespace: ncbi_taxonomy synonym: "Craniata" EXACT scientific_name [] xref: GC_ID:1 is_a: NCBITaxon:7711 ! Chordata property_value: has_rank NCBITaxon:subphylum [Term] id: NCBITaxon:8976 name: Galliformes synonym: "landfowls" EXACT [] is_a: NCBITaxon:1549675 ! Galloanserae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9005 name: Phasianidae synonym: "turkeys" EXACT [] is_a: NCBITaxon:8976 ! Galliformes property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9031 name: Gallus gallus synonym: "bantam" EXACT [] synonym: "chicken" EXACT [] synonym: "chickens" EXACT [] synonym: "Gallus domesticus" EXACT [] synonym: "gallus gallus domesticus" EXACT [] is_a: NCBITaxon:9072 ! Phasianinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9072 name: Phasianinae is_a: NCBITaxon:9005 ! Phasianidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9102 name: Meleagris is_a: NCBITaxon:9005 ! Phasianidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:91061 name: Bacilli namespace: ncbi_taxonomy synonym: "Bacillus/Lactobacillus/Streptococcus group" RELATED synonym [] synonym: "Firmibacteria" RELATED synonym [] xref: GC_ID:11 is_a: NCBITaxon:1239 ! Firmicutes property_value: has_rank NCBITaxon:class [Term] id: NCBITaxon:91347 name: Enterobacterales namespace: ncbi_taxonomy synonym: "Enterobacteriaceae and related endosymbionts" RELATED synonym [] synonym: "Enterobacteriaceae group" RELATED synonym [] synonym: "Enterobacteriales" RELATED synonym [] synonym: "gamma-3 proteobacteria" RELATED in_part [] xref: GC_ID:11 xref: PMID:27620848 is_a: NCBITaxon:1236 ! Gammaproteobacteria property_value: has_rank NCBITaxon:order [Term] id: NCBITaxon:91561 name: Artiodactyla synonym: "whales, hippos, ruminants, pigs, camels etc." EXACT [] is_a: NCBITaxon:314145 ! Laurasiatheria property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:91827 name: Gunneridae namespace: ncbi_taxonomy alt_id: NCBITaxon:1437200 synonym: "core eudicots" EXACT equivalent_name [] synonym: "core eudicotyledons" EXACT equivalent_name [] xref: GC_ID:1 is_a: NCBITaxon:71240 ! eudicotyledons property_value: has_rank NCBITaxon:clade [Term] id: NCBITaxon:91835 name: fabids namespace: ncbi_taxonomy alt_id: NCBITaxon:41939 alt_id: NCBITaxon:4293 synonym: "eurosids I" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:71275 ! rosids property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:91836 name: malvids is_a: NCBITaxon:71275 ! rosids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:91882 name: campanulids is_a: NCBITaxon:71274 ! asterids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:91888 name: lamiids is_a: NCBITaxon:71274 ! asterids property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:92921 name: Silybum marianum synonym: "holy thistle" EXACT [] synonym: "lady's thistle" EXACT [] synonym: "milk thistle" EXACT [] synonym: "Silybum marianum (L.) Gaertn." NARROW [] xref: GRIN:33952 xref: http://eol.org/pages/509366 xref: http://www.langual.org/langual_thesaurus.asp?termid=B4203 xref: ITIS:38413 xref: PLANTS:SIMA3 is_a: FOODON:03411017 ! oil-producing plant is_a: FOODON:03414168 ! plant used for dietary supplements is_a: NCBITaxon:742010 ! Carduinae property_value: hasSynonym "silybum marianum" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "blessed milkthistle plant" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9347 name: Eutheria namespace: ncbi_taxonomy synonym: "eutherian mammals" EXACT common_name [] synonym: "placental mammals" EXACT common_name [] synonym: "Placentalia" RELATED synonym [] synonym: "placentals" EXACT genbank_common_name [] synonym: "placentals" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:32525 ! Theria property_value: has_rank NCBITaxon:clade property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:94328 name: Zingiber officinale synonym: "ginger" EXACT [] is_a: NCBITaxon:4650 ! Zingiber property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9443 name: Primates namespace: ncbi_taxonomy synonym: "Primata" RELATED synonym [] synonym: "primate" EXACT equivalent_name [] synonym: "primates" RELATED blast_name [] xref: GC_ID:1 is_a: NCBITaxon:314146 ! Euarchontoglires property_value: has_rank NCBITaxon:order property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9526 name: Catarrhini namespace: ncbi_taxonomy xref: GC_ID:1 is_a: NCBITaxon:314293 ! Simiiformes property_value: has_rank NCBITaxon:parvorder property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9604 name: Hominidae namespace: ncbi_taxonomy synonym: "great apes" EXACT genbank_common_name [] synonym: "Pongidae" RELATED synonym [] xref: GC_ID:1 is_a: NCBITaxon:314295 ! Hominoidea property_value: has_rank NCBITaxon:family [Term] id: NCBITaxon:9605 name: Homo namespace: ncbi_taxonomy synonym: "humans" EXACT common_name [] xref: GC_ID:1 is_a: NCBITaxon:207598 ! Homininae property_value: has_rank NCBITaxon:genus [Term] id: NCBITaxon:9606 name: Homo sapiens namespace: ncbi_taxonomy synonym: "human" EXACT genbank_common_name [] xref: GC_ID:1 xref: http://www.langual.org/langual_thesaurus.asp?termid=B1087 is_a: FOODON:03411134 ! mammal is_a: NCBITaxon:9605 ! Homo property_value: has_rank NCBITaxon:species property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000118 "human as milk source" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:981071 name: Brassiceae is_a: NCBITaxon:3700 ! Brassicaceae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9821 name: Suidae synonym: "boars" EXACT [] synonym: "pigs" EXACT [] is_a: NCBITaxon:91561 ! Artiodactyla property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9823 name: Sus scrofa def: "A suid native to much of Eurasia and North Africa." [] synonym: "pig" EXACT [] synonym: "pigs" EXACT [] synonym: "swine" EXACT [] synonym: "wild boar" EXACT [] is_a: FOODON:03411136 ! swine is_a: NCBITaxon:9821 ! Suidae property_value: http://purl.org/dc/elements/1.1/date 2020-04-01T23:10:20Z xsd:dateTime property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000117 http://orcid.org/0000-0002-8844-9165 property_value: IAO:0000119 Wild:boar property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9895 name: Bovidae is_a: NCBITaxon:35500 ! Pecora property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9903 name: Bos synonym: "oxen, cattle" EXACT [] is_a: NCBITaxon:27592 ! Bovinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9913 name: Bos taurus def: "Cattle (colloquially cows) are the most common type of large domesticated ungulates. They are a prominent modern member of the subfamily *Bovinae*, are the most widespread species of the genus *Bos*, and are most commonly classified collectively as *Bos taurus*... with three subspecies: *Bos taurus primigenius, Bos taurus indicus, Bos taurus taurus*." [] synonym: "Bos taurus Linnaeus, 1758" EXACT [] synonym: "bovine" EXACT [] synonym: "cattle" EXACT [] synonym: "cow" EXACT [] synonym: "dairy cow" EXACT [] synonym: "domestic cattle" EXACT [] synonym: "domestic cow" EXACT [] synonym: "ox" EXACT [] synonym: "oxen" EXACT [] xref: https://eol.org/pages/328699 xref: ITIS:183838 xref: langual:thesaurus.asp?termid=B1161 xref: MSW3:14200687 is_a: FOODON:03414374 ! bovine is_a: NCBITaxon:9903 ! Bos property_value: IAO:0000118 "cattle" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Cattle property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl property_value: seeAlso https://en.wikipedia.org/wiki/List_of_cattle_breeds [Term] id: NCBITaxon:9935 name: Ovis is_a: NCBITaxon:9963 ! Caprinae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9940 name: Ovis aries synonym: "domestic sheep" EXACT [] synonym: "lambs" EXACT [] synonym: "sheep" EXACT [] synonym: "wild sheep" EXACT [] is_a: NCBITaxon:9935 ! Ovis property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCBITaxon:9963 name: Caprinae is_a: NCBITaxon:9895 ! Bovidae property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl [Term] id: NCIT:C103933 name: Automotive Occupations def: "A class of professional or vocational positions of employment that involve work with automobiles." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Automotive" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Automotive Occupations" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C20192 ! Miscellaneous Occupation property_value: NCIT:NHC0 "C103933" xsd:string property_value: NCIT:P106 "Occupation or Discipline" xsd:string property_value: NCIT:P108 "Automotive Occupations" xsd:string property_value: NCIT:P207 "C3641679" xsd:string [Term] id: NCIT:C116448 name: Ultrasound Tomography def: "The quantitative computation of data obtained via ultrasonography to create a three dimensional map of the imaged tissue." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 synonym: "Ultrasound Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Ultrasound Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19337 ! Diagnostic Ultrasound property_value: NCIT:NHC0 "C116448" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Ultrasound Tomography" xsd:string property_value: NCIT:P108 "Ultrasound Tomography" xsd:string property_value: NCIT:P208 "CL433887" xsd:string property_value: NCIT:P322 "CTRP" xsd:string [Term] id: NCIT:C154329 name: Smoking def: "The act of puffing and/or inhaling the combustion products of a substance so as to be tasted and absorbed into the bloodstream." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 subset: NCIT:C156952 subset: NCIT:C156953 subset: NCIT:C157528 synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:A32 NCIT:C17103 property_value: NCIT:NHC0 "C154329" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P107 "Smoking" xsd:string property_value: NCIT:P108 "Smoking" xsd:string property_value: NCIT:P207 "C0037369" xsd:string property_value: NCIT:P322 "CPTAC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string [Term] id: NCIT:C158424 name: Physical Property def: "Any of the characteristics that define the nature of matter or forces that act upon it." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Physical Properties" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Physical Property" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C20189 ! Property or Attribute property_value: NCIT:NHC0 "C158424" xsd:string property_value: NCIT:P106 "Qualitative Concept" xsd:string property_value: NCIT:P108 "Physical Property" xsd:string property_value: NCIT:P208 "CL937894" xsd:string property_value: NCIT:P322 "FDA" xsd:string property_value: NCIT:P325 "Assessments of the characteristics of a material that are not associated with a change in its composition and basic nature, including but not limited to its texture, smell, freezing point, boiling point, melting point, opacity, viscosity and density." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="PQCMC"} [Term] id: NCIT:C16203 name: Clinical or Research Activity def: "Any specific activity undertaken during the course of a clinical study or research protocol." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Clinical or Research Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C43431 ! Activity property_value: NCIT:NHC0 "C16203" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Clinical or Research Activity" xsd:string property_value: NCIT:P207 "C1516654" xsd:string property_value: NCIT:P366 "Clinical_or_Research_Activity" xsd:string [Term] id: NCIT:C16273 name: Alcohol Consumption def: "Consumption of liquids containing ethanol, including the behaviors associated with drinking the alcohol." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C156952 subset: NCIT:C156953 subset: NCIT:C156954 subset: NCIT:C157529 subset: NCIT:C157711 subset: NCIT:C177537 synonym: "Alcohol Consumption" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Alcohol Consumption" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Alcohol Consumption" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} synonym: "Alcohol Consumption" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:A32 NCIT:C17103 property_value: NCIT:NHC0 "C16273" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Alcohol Consumption" xsd:string property_value: NCIT:P207 "C0001948" xsd:string property_value: NCIT:P322 "CPTAC" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P366 "Alcohol_Consumption" xsd:string property_value: NCIT:P375 "Alcohol Consumption" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="risk_factor", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C16326 name: Behavior def: "The actions or reactions of an object or organism, usually in relation to the environment or surrounding world of stimuli." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C165451 subset: NCIT:C175517 subset: NCIT:C90259 synonym: "Attitude" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ICDC", http://purl.obolibrary.org/obo/NCIT_P384="ICDC"} synonym: "Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Behavioral" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="AD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Conduct" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C43431 ! Activity property_value: NCIT:NHC0 "C16326" xsd:string property_value: NCIT:P106 "Behavior" xsd:string property_value: NCIT:P108 "Behavior" xsd:string property_value: NCIT:P207 "C0004927" xsd:string property_value: NCIT:P322 "ICDC" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P366 "Behavior" xsd:string [Term] id: NCIT:C16502 name: Diagnostic Imaging def: "Any method that uses a visual display of structural or functional patterns of organs or tissues for diagnostic evaluation." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C157711 subset: NCIT:C177537 synonym: "Diagnostic Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnostic Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "Diagnostic Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Diagnostic Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Medical Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} is_a: NCIT:C17369 ! Imaging Technique is_a: NCIT:C18020 ! Diagnostic Procedure property_value: NCIT:A32 NCIT:C177576 property_value: NCIT:NHC0 "C16502" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Diagnostic Imaging" xsd:string property_value: NCIT:P108 "Diagnostic Imaging" xsd:string property_value: NCIT:P207 "C0011923" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P366 "Diagnostic_Imaging" xsd:string property_value: NCIT:P375 "Diagnostic Imaging" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="method_of_diagnosis", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C16522 name: Drug Abuse def: "The use of a drug for a reason other than which it was intended or in a manner or in quantities other than directed." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C156952 subset: NCIT:C158035 subset: NCIT:C158520 synonym: "Drug Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} synonym: "Drug Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "drug abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000454752"} synonym: "Drug Use Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} synonym: "Recreational Drug Use" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C18272 ! Substance Abuse property_value: NCIT:NHC0 "C16522" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Drug Abuse" xsd:string property_value: NCIT:P207 "C0013146" xsd:string property_value: NCIT:P322 "CPTAC" xsd:string property_value: NCIT:P325 "The use of illegal drugs or the use of prescription or over-the-counter drugs for purposes other than those for which they are meant to be used, or in large amounts. Drug abuse may lead to social, physical, emotional, and job-related problems." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Drug_Abuse" xsd:string [Term] id: NCIT:C16567 name: Exercise def: "Activity that requires physical or mental exertion, especially when performed to develop or maintain fitness." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C167409 synonym: "Exercise" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Exercise" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P386="PCC", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="ACC/AHA"} synonym: "Exercise Type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C17708 ! Physical Activity property_value: NCIT:NHC0 "C16567" xsd:string property_value: NCIT:P106 "Daily or Recreational Activity" xsd:string property_value: NCIT:P108 "Exercise" xsd:string property_value: NCIT:P207 "C0015259" xsd:string property_value: NCIT:P322 "ACC/AHA" xsd:string property_value: NCIT:P325 "Performance of physical exertion for improvement of health or correction of physical deformity." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="ACC/AHA"} property_value: NCIT:P366 "Exercise" xsd:string [Term] id: NCIT:C16795 name: Lifestyle def: "A manner of living that reflects the person's values and attitudes." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Lifestyle" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16326 ! Behavior property_value: NCIT:NHC0 "C16795" xsd:string property_value: NCIT:P106 "Social Behavior" xsd:string property_value: NCIT:P108 "Lifestyle" xsd:string property_value: NCIT:P207 "C0023676" xsd:string property_value: NCIT:P366 "Lifestyle" xsd:string [Term] id: NCIT:C16818 name: Mammography def: "A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image. A mammography exam or mammogram, is used as a screening tool to detect early breast cancer in women experiencing no symptoms and to detect and diagnose breast disease." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C85492 synonym: "MAMMOGRAPHY" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Mammography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Mammography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "mammography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000045996", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C16818" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Mammography" xsd:string property_value: NCIT:P108 "Mammography" xsd:string property_value: NCIT:P207 "C0024671" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P325 "A type of radiography used specifically to examine breast tissue. The procedure utilizes a low-dose of x-rays or radiation to generate an image." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P325 "The use of film or a computer to create a picture of the breast." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Mammography" xsd:string [Term] id: NCIT:C17007 name: Positron Emission Tomography def: "A technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance (for example, 2-fluoro-2-deoxy-D-glucose (FDG), which is similar to a naturally occurring sugar, glucose, with the addition of a radioactive fluorine atom). When living tissue containing the positron emitter is bombarded by electrons, gamma radiation produced by collisions of electrons and positrons is detected by a scanner, revealing in fine detail the tissue location of the metabolically-active substance administered." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C157711 subset: NCIT:C177383 subset: NCIT:C177394 subset: NCIT:C177537 subset: NCIT:C186320 subset: NCIT:C186325 subset: NCIT:C186333 subset: NCIT:C186341 subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C85492 synonym: "Medical Imaging, Positron Emission Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "PET" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "PET" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "PET Scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC", http://purl.obolibrary.org/obo/NCIT_P386="HL"} synonym: "PET SCAN" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "PET Scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "PET Scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="GCT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC"} synonym: "PET scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000046140", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Positron Emission Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Positron Emission Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Positron Emission Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Positron Emission Tomography Scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "positron emission tomography scan" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000046218", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Positron-Emission Tomography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "proton magnetic resonance spectroscopic imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000044361", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} is_a: NCIT:C17369 ! Imaging Technique property_value: NCIT:A32 NCIT:C17369 property_value: NCIT:A33 NCIT:C117438 property_value: NCIT:NHC0 "C17007" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Positron Emission Tomography" xsd:string property_value: NCIT:P108 "Positron Emission Tomography" xsd:string property_value: NCIT:P207 "C0032743" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P322 "PCDC" xsd:string property_value: NCIT:P325 "A procedure in which a small amount of radioactive glucose (sugar) is injected into a vein, and a scanner is used to make detailed, computerized pictures of areas inside the body where the glucose is used. Because cancer cells often use more glucose than normal cells, the pictures can be used to find cancer cells in the body." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P325 "An imaging technique for measuring the gamma radiation produced by collisions of electrons and positrons (anti-electrons) within living tissue. In positron emission tomography (PET), a subject is given a dose of a positron-emitting radionuclide attached to a metabolically active substance. A scanner reveals the tissue location of the metabolically-active substance administered." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Positron_Emission_Tomography" xsd:string property_value: NCIT:P375 "PET" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="imaging_type", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C17009 name: Poverty def: "A subjective and comparative term describing a lack of sufficient wealth (usually understood as capital, money, material goods, or resources especially natural resources) to live what is understood in a society as a \"normal\" life: for instance, to be capable of raising a healthy family, and especially educating children and participating in society. A person living in this condition of poverty is said to be poor. The meaning of \"sufficient\" varies widely across the different political and economic areas of the world." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C19752 synonym: "Low Income" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Poor" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Poverty" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Poverty" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C17468 ! Socioeconomic Factors property_value: NCIT:NHC0 "C17009" xsd:string property_value: NCIT:P106 "Group Attribute" xsd:string property_value: NCIT:P108 "Poverty" xsd:string property_value: NCIT:P207 "C0032854" xsd:string property_value: NCIT:P366 "Poverty" xsd:string [Term] id: NCIT:C17050 name: Electromagnetic Radiation def: "The radiation of energy as transverse waves produced by moving charges." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Electromagnetic Radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Electromagnetic Radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "electromagnetic radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000270739", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "EMR" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000673819", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000045072", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "radiation (unspecified type)" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Radiation, Electromagnetic" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Radiation-Total" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C158424 ! Physical Property property_value: NCIT:NHC0 "C17050" xsd:string property_value: NCIT:P106 "Natural Phenomenon or Process" xsd:string property_value: NCIT:P108 "Electromagnetic Radiation" xsd:string property_value: NCIT:P207 "C0034519" xsd:string property_value: NCIT:P325 "Radiation that has both electric and magnetic fields and travels in waves. It comes from natural and man-made sources. Electromagnetic radiation can vary in strength from low energy to high energy. It includes radio waves, microwaves, infrared light, visible light, ultraviolet light, x-rays, and gamma rays." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Electromagnetic_Radiation" xsd:string [Term] id: NCIT:C17052 name: Ionizing Radiation def: "High-energy radiation capable of producing ionization in substances through which it passes." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Ionizing Radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "ionizing radiation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000430698", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Radiation, Ionizing" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Radiation-Ionizing Total" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C17050 ! Electromagnetic Radiation property_value: NCIT:NHC0 "C17052" xsd:string property_value: NCIT:P106 "Natural Phenomenon or Process" xsd:string property_value: NCIT:P108 "Ionizing Radiation" xsd:string property_value: NCIT:P207 "C0034538" xsd:string property_value: NCIT:P325 "A type of radiation made (or given off) by x-ray procedures, radioactive substances, rays that enter the Earth's atmosphere from outer space, and other sources. At high doses, ionizing radiation increases chemical activity inside cells and can lead to health risks, including cancer." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Ionizing_Radiation" xsd:string [Term] id: NCIT:C17054 name: Radioactivity def: "The quality of emitting or the emission of corpuscular or electromagnetic radiations consequent to nuclear disintegration, a natural property of all chemical elements of atomic number above 83 and possible of induction in all other known elements." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Radioactive" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="AD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "radioactive" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000046550", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Radioactivity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C17052 ! 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[] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C157711 subset: NCIT:C177537 subset: NCIT:C70989 synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Tobacco Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Tobacco Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Tobacco, Smoking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} is_a: NCIT:C154329 ! Smoking is_a: NCIT:C18059 ! Tobacco Use is_a: NCIT:C20134 ! Smoking Behavior property_value: NCIT:A32 NCIT:C16457 property_value: NCIT:NHC0 "C17934" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Tobacco Smoking" xsd:string property_value: NCIT:P207 "C0453996" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P366 "Tobacco_Smoking" xsd:string property_value: NCIT:P375 "Smoking" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="comorbidity", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} property_value: NCIT:P375 "Tobacco, Smoking" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="risk_factor", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C18020 name: Diagnostic Procedure def: "Any procedure or test to diagnose a disease or disorder." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C90259 synonym: "Diagnostic Method" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnostic Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnostic Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Diagnostic Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Diagnostic Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "diagnostic procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000045959", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Diagnostic Technique" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "diagnostic technique" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000635290"} synonym: "Diagnostic Test" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C25218 ! Intervention or Procedure property_value: NCIT:NHC0 "C18020" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Diagnostic Procedure" xsd:string property_value: NCIT:P208 "CL1642967" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P325 "A specific test or series of steps done to help diagnose a disease or condition. Mammograms and colonscopies are examples of diagnostic procedures." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Diagnostic_Procedure" xsd:string property_value: NCIT:P375 "Other diagnostic procedures on breast" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Related To", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="85.19", http://purl.obolibrary.org/obo/NCIT_P396="ICD9CM 2014"} property_value: NCIT:P375 "Other diagnostic procedures on rectum, rectosigmoid and perirectal tissue" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Related To", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="48.29", http://purl.obolibrary.org/obo/NCIT_P396="ICD9CM 2014"} [Term] id: NCIT:C18059 name: Tobacco Use def: "Use of tobacco in any form, e.g., smoking, chewing or sniffing." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C157711 subset: NCIT:C177537 synonym: "Tobacco Consumption" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Tobacco Use" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Tobacco Use" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Tobacco, NOS" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:A32 NCIT:C17103 property_value: NCIT:NHC0 "C18059" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P107 "Tobacco Use" xsd:string property_value: NCIT:P108 "Tobacco Use" xsd:string property_value: NCIT:P207 "C0543414" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P366 "Tobacco_Use" xsd:string property_value: NCIT:P375 "Tobacco use" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="Z72.0", http://purl.obolibrary.org/obo/NCIT_P396="ICD10CM 2017"} property_value: NCIT:P375 "Tobacco, NOS" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="risk_factor", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C18272 name: Substance Abuse def: "Maladaptive pattern of drug or alcohol use that may lead to social, occupational, psychological, or physical problems." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 synonym: "Substance Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Substance Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "substance abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000450123", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "substance abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000450123", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C18272" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P107 "Substance Abuse" xsd:string property_value: NCIT:P108 "Substance Abuse" xsd:string property_value: NCIT:P207 "C0740858" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P325 "The use of illegal drugs or the use of prescription or over-the-counter drugs or alcohol for purposes other than those for which they are meant to be used, or in excessive amounts. Substance abuse may lead to social, physical, emotional, and job-related problems." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Substance_Abuse" xsd:string [Term] id: NCIT:C19035 name: Social Networking def: "Establishing relationships with individuals who have similar social or professional interests for the purposes of expanding knowledge and professional/social interaction. (Glanz et al: Heath Behavior & Health Education, 1990)" [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 synonym: "Social Networking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Social Networking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C19035" xsd:string property_value: NCIT:P106 "Social Behavior" xsd:string property_value: NCIT:P107 "Social Networking" xsd:string property_value: NCIT:P108 "Social Networking" xsd:string property_value: NCIT:P207 "C3179002" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P366 "Social_Networking" xsd:string [Term] id: NCIT:C19160 name: Occupation or Discipline def: "A grouping of occupations and fields of study." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Occupation or Discipline" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C20181 ! Conceptual Entity property_value: NCIT:NHC0 "C19160" xsd:string property_value: NCIT:P106 "Occupation or Discipline" xsd:string property_value: NCIT:P108 "Occupation or Discipline" xsd:string property_value: NCIT:P207 "C1518533" xsd:string property_value: NCIT:P366 "Occupation_or_Discipline" xsd:string [Term] id: NCIT:C19332 name: Personal Attribute def: "The distinguishing qualities or prominent aspects of an individual person." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Personal" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Personal Attribute" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Subject Characteristics" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C171087 ! Person/Individual Attribute property_value: NCIT:NHC0 "C19332" xsd:string property_value: NCIT:P106 "Organism Attribute" xsd:string property_value: NCIT:P108 "Personal Attribute" xsd:string property_value: NCIT:P207 "C0681884" xsd:string property_value: NCIT:P366 "Personal_Attribute" xsd:string [Term] id: NCIT:C19337 name: Diagnostic Ultrasound def: "Use of ultrasound for imaging or diagnostic purposes. Employs frequencies ranging from 1.6 to 10 megahertz. (DCTD-DIP)" [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C186320 subset: NCIT:C186325 subset: NCIT:C186333 subset: NCIT:C186341 synonym: "Diagnosis (US)" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnosis, Ultrasound" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnostic Ultrasound" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Ultrasound" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC", http://purl.obolibrary.org/obo/NCIT_P386="HL"} is_a: NCIT:C16502 ! Diagnostic Imaging is_a: NCIT:C17230 ! Ultrasonography property_value: NCIT:NHC0 "C19337" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Diagnostic Ultrasound" xsd:string property_value: NCIT:P208 "CL415372" xsd:string property_value: NCIT:P322 "PCDC" xsd:string property_value: NCIT:P366 "Diagnostic_Ultrasound" xsd:string [Term] id: NCIT:C19382 name: Coping Skills def: "Use of conscious or unconscious strategies or mechanisms in adapting to stress." [] {http://purl.obolibrary.org/obo/NCIT_P381="from PSY94", http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Coping Skills" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "coping skills" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000450097", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Stress and Coping" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16326 ! Behavior property_value: NCIT:NHC0 "C19382" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Coping Skills" xsd:string property_value: NCIT:P207 "C0086059" xsd:string property_value: NCIT:P325 "The methods a person uses to deal with stressful situations. These may help a person face a situation, take action, and be flexible and persistent in solving problems." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Stress_and_Coping" xsd:string [Term] id: NCIT:C19683 name: Personal Behavior def: "The observable response of a person." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Personal Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Personal Conduct" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16326 ! Behavior property_value: NCIT:NHC0 "C19683" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Personal Behavior" xsd:string property_value: NCIT:P207 "C1519022" xsd:string property_value: NCIT:P366 "Personal_Behavior" xsd:string [Term] id: NCIT:C19694 name: Risk Reduction def: "Personal behaviors designed to minimize and control the probability and/or impact of unfortunate events." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Risk Reduction" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Risk Reduction" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C19694" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Risk Reduction" xsd:string property_value: NCIT:P207 "C0242550" xsd:string property_value: NCIT:P366 "Risk_Reduction" xsd:string [Term] id: NCIT:C19706 name: Dietary Practices def: "Dietary Practices refers to a person's choices in food consumption." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Dietary Practices" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C19706" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Dietary Practices" xsd:string property_value: NCIT:P207 "C1511904" xsd:string property_value: NCIT:P366 "Dietary_Practices" xsd:string [Term] id: NCIT:C19733 name: Cooking Practices def: "Methods of preparing foods and their role in health and disease." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cooking Methods" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Cooking Practices" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C19733" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Cooking Practices" xsd:string property_value: NCIT:P207 "C1511504" xsd:string property_value: NCIT:P366 "Cooking_Practices" xsd:string [Term] id: NCIT:C20026 name: Flame-Broiling def: "Cooking of meats over an open flame. A cooking practice associated with increased risk of breast cancer." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Flame-Broiling" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19733 ! Cooking Practices property_value: NCIT:NHC0 "C20026" xsd:string property_value: NCIT:P106 "Human-caused Phenomenon or Process" xsd:string property_value: NCIT:P108 "Flame-Broiling" xsd:string property_value: NCIT:P207 "C1517203" xsd:string property_value: NCIT:P366 "Flame-Broiling" xsd:string [Term] id: NCIT:C20080 name: Angiography def: "The X-ray examination of the blood vessels or chambers of the heart." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C119016 subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C85492 synonym: "ANGIOGRAPHY" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Angiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Angiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "angiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000046531"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C20080" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Angiography" xsd:string property_value: NCIT:P108 "Angiography" xsd:string property_value: NCIT:P208 "CL378222" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P325 "A procedure to x-ray blood vessels. The blood vessels can be seen because of an injection of a dye that shows up in the x-ray." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P325 "The X-ray examination of blood vessels or chambers of the heart." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Angiography" xsd:string [Term] id: NCIT:C20134 name: Smoking Behavior def: "Any of the activities associated with tobacco smoking." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Smoking Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Smoking, Tobacco and Cancer-Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19683 ! Personal Behavior property_value: NCIT:NHC0 "C20134" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Smoking Behavior" xsd:string property_value: NCIT:P207 "C1519383" xsd:string property_value: NCIT:P366 "Smoking_Behavior" xsd:string [Term] id: NCIT:C20175 name: Myelography def: "The radiographic examination of the spinal cord and nerve roots following the injection of a contrast medium into the spinal subarachnoid space. The X-rays taken may highlight conditions such as spinal tumors, spinal cord swelling and herniated discs." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Myelography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C20175" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Myelography" xsd:string property_value: NCIT:P207 "C0026995" xsd:string property_value: NCIT:P366 "Myelography" xsd:string [Term] id: NCIT:C20181 name: Conceptual Entity def: "An organizational header for concepts representing mostly abstract entities." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Conceptual Entity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} property_value: NCIT:NHC0 "C20181" xsd:string property_value: NCIT:P106 "Classification" xsd:string property_value: NCIT:P108 "Conceptual Entity" xsd:string property_value: NCIT:P207 "C1254372" xsd:string property_value: NCIT:P366 "Conceptual_Entities" xsd:string [Term] id: NCIT:C20188 name: Social Circumstances def: "Pertaining to the demographic and psychosocial environment in which a person lives." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C61410 subset: NCIT:C67497 synonym: "Social Circumstances" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "social circumstances" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC-GLOSS"} is_a: NCIT:C20181 ! Conceptual Entity property_value: NCIT:NHC0 "C20188" xsd:string property_value: NCIT:P106 "Conceptual Entity" xsd:string property_value: NCIT:P108 "Social Circumstances" xsd:string property_value: NCIT:P207 "C0851364" xsd:string property_value: NCIT:P322 "CDISC-GLOSS" xsd:string property_value: NCIT:P325 "A set of concepts that results from or is influenced by criteria or activities associated with the social environment of a person. [NCI]" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC-GLOSS"} property_value: NCIT:P366 "Social_Concepts" xsd:string [Term] id: NCIT:C20189 name: Property or Attribute def: "A distinguishing quality or prominent aspect of a person, object, action, process, or substance." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C90259 synonym: "Property or Attribute" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Property or Attribute" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} property_value: NCIT:NHC0 "C20189" xsd:string property_value: NCIT:P106 "Conceptual Entity" xsd:string property_value: NCIT:P108 "Property or Attribute" xsd:string property_value: NCIT:P207 "C1514495" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P366 "Properties_or_Attributes" xsd:string [Term] id: NCIT:C20192 name: Miscellaneous Occupation def: "A listing of occupations that don't fall under another major heading." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Miscellaneous Occupation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="HD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C25193 ! Occupation property_value: NCIT:NHC0 "C20192" xsd:string property_value: NCIT:P106 "Occupation or Discipline" xsd:string property_value: NCIT:P108 "Miscellaneous Occupation" xsd:string property_value: NCIT:P207 "C1513330" xsd:string property_value: NCIT:P366 "Miscellaneous_Occupations" xsd:string [Term] id: NCIT:C20701 name: Alcohol Abuse def: "The use of alcoholic beverages to excess, either on individual occasions (\"binge drinking\") or as a regular practice." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C156952 subset: NCIT:C158035 subset: NCIT:C158520 synonym: "Alcohol Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Alcohol Abuse" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} synonym: "Alcohol Use Disorders" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} is_a: NCIT:C18272 ! Substance Abuse property_value: NCIT:NHC0 "C20701" xsd:string property_value: NCIT:P106 "Individual Behavior" xsd:string property_value: NCIT:P108 "Alcohol Abuse" xsd:string property_value: NCIT:P207 "C0085762" xsd:string property_value: NCIT:P322 "CPTAC" xsd:string property_value: NCIT:P366 "Alcohol_Abuse" xsd:string [Term] id: NCIT:C25193 name: Occupation def: "The principal activity that a person does to earn money." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C103330 subset: NCIT:C54447 subset: NCIT:C54585 subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C74559 synonym: "EMPJOB" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-SCTESTCD"} synonym: "Employee Job" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-SCTEST"} synonym: "Employee Job" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Employment Category" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Job" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "OCCUPATION" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ICSR", http://purl.obolibrary.org/obo/NCIT_P384="FDA"} synonym: "Occupation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Occupation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Occupation Type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19160 ! Occupation or Discipline property_value: NCIT:NHC0 "C25193" xsd:string property_value: NCIT:P106 "Occupation or Discipline" xsd:string property_value: NCIT:P108 "Occupation" xsd:string property_value: NCIT:P207 "C0028811" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "FDA" xsd:string property_value: NCIT:P325 "A code specifying the job performed by the employee for the employer. For example, accountant, programmer analyst, patient care associate, staff nurse, etc." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Occupation" xsd:string [Term] id: NCIT:C25218 name: Intervention or Procedure def: "An activity that produces an effect, or that is intended to alter the course of a disease in a patient or population. This is a general term that encompasses the medical, social, behavioral, and environmental acts that can have preventive, therapeutic, or palliative effects." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C132298 subset: NCIT:C132310 subset: NCIT:C157711 subset: NCIT:C159501 subset: NCIT:C159502 subset: NCIT:C165451 subset: NCIT:C166373 subset: NCIT:C177536 subset: NCIT:C61410 subset: NCIT:C67497 subset: NCIT:C90259 subset: NCIT:C99147 synonym: "Intervention" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Intervention" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "intervention" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC-GLOSS"} synonym: "intervention" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000454757", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Intervention or Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Intervention or Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Intervention Strategies" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Interventional" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="AD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "interventionDescription" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="BRIDG 3.0.3"} synonym: "interventionDescription" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="BRIDG 5.3"} synonym: "Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "procedure" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ICDC", http://purl.obolibrary.org/obo/NCIT_P384="ICDC"} synonym: "treatment type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P385="VAR", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "treatment_type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="VAR", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} is_a: NCIT:C16203 ! Clinical or Research Activity property_value: NCIT:A31 NCIT:C104914 property_value: NCIT:A31 NCIT:C116466 property_value: NCIT:A31 NCIT:C116643 property_value: NCIT:A31 NCIT:C138187 property_value: NCIT:A31 NCIT:C141342 property_value: NCIT:A31 NCIT:C15195 property_value: NCIT:A31 NCIT:C152055 property_value: NCIT:A31 NCIT:C15215 property_value: NCIT:A31 NCIT:C15230 property_value: NCIT:A31 NCIT:C15262 property_value: NCIT:A31 NCIT:C15289 property_value: NCIT:A31 NCIT:C15313 property_value: NCIT:A31 NCIT:C15329 property_value: NCIT:A31 NCIT:C15358 property_value: NCIT:A31 NCIT:C15370 property_value: NCIT:A31 NCIT:C15382 property_value: NCIT:A31 NCIT:C15393 property_value: NCIT:A31 NCIT:C15431 property_value: NCIT:A31 NCIT:C15445 property_value: NCIT:A31 NCIT:C15470 property_value: NCIT:A31 NCIT:C15533 property_value: NCIT:A31 NCIT:C15632 property_value: NCIT:A31 NCIT:C15651 property_value: NCIT:A31 NCIT:C15666 property_value: NCIT:A31 NCIT:C15696 property_value: NCIT:A31 NCIT:C15747 property_value: NCIT:A31 NCIT:C15751 property_value: NCIT:A31 NCIT:C15752 property_value: NCIT:A31 NCIT:C157968 property_value: NCIT:A31 NCIT:C15986 property_value: NCIT:A31 NCIT:C16035 property_value: NCIT:A31 NCIT:C16039 property_value: NCIT:A31 NCIT:C16135 property_value: NCIT:A31 NCIT:C165189 property_value: NCIT:A31 NCIT:C165192 property_value: NCIT:A31 NCIT:C165194 property_value: NCIT:A31 NCIT:C17649 property_value: NCIT:A31 NCIT:C178422 property_value: NCIT:A31 NCIT:C17998 property_value: NCIT:A31 NCIT:C20985 property_value: NCIT:A31 NCIT:C43234 property_value: NCIT:A31 NCIT:C443 property_value: NCIT:A31 NCIT:C46089 property_value: NCIT:A31 NCIT:C62714 property_value: NCIT:A31 NCIT:C62726 property_value: NCIT:A31 NCIT:C64172 property_value: NCIT:A31 NCIT:C66891 property_value: NCIT:A31 NCIT:C66897 property_value: NCIT:A31 NCIT:C66899 property_value: NCIT:A31 NCIT:C67444 property_value: NCIT:A31 NCIT:C70840 property_value: NCIT:A31 NCIT:C76243 property_value: NCIT:A31 NCIT:C798 property_value: NCIT:A31 NCIT:C85254 property_value: NCIT:A31 NCIT:C92991 property_value: NCIT:A31 NCIT:C93196 property_value: NCIT:A31 NCIT:C93340 property_value: NCIT:A31 NCIT:C95484 property_value: NCIT:NHC0 "C25218" xsd:string property_value: NCIT:P106 "Health Care Activity" xsd:string property_value: NCIT:P108 "Intervention or Procedure" xsd:string property_value: NCIT:P207 "C0184661" xsd:string property_value: NCIT:P322 "BRIDG" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CDISC-GLOSS" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P322 "ICDC" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P325 "In medicine, a treatment or action taken to prevent or treat disease, or improve health in other ways." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P325 "The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study (e.g., health-related quality of life, efficacy, safety, pharmacoeconomics). [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] See also test articles, devices, drug product, medicinal product, combination product, general observation class, finding, event, treatment, diagnosis." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC-GLOSS"} property_value: NCIT:P325 "The drug, device, therapy, or process under investigation in a clinical study that is believed to have an effect on outcomes of interest in a study. [After https://grants.nih.gov/grants/policy/faq_clinical_trial_definition.htm#5224] (CDISC-Glossary)" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Procedure" xsd:string [Term] id: NCIT:C25404 name: Action def: "A thing done." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C105763 synonym: "Action" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Action" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Generic Action" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C43431 ! Activity property_value: NCIT:NHC0 "C25404" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Action" xsd:string property_value: NCIT:P207 "C3266814" xsd:string property_value: NCIT:P366 "Action" xsd:string [Term] id: NCIT:C25464 name: Country def: "A collective generic term that refers here to a wide variety of dependencies, areas of special sovereignty, uninhabited islands, and other entities in addition to the traditional countries or independent states." [] comment: Damion's note: countries are considered material entities, but at moment ENVO "national geopolitical entity" is a site. It will need to be moved to a material entity in order for countries to be placed under it. For now, we use NCIT's "Country" term. is_a: GEO:000000372 ! geographical region property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncit.owl [Term] id: NCIT:C26726 name: Infectious Disorder def: "A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C101859 subset: NCIT:C116977 subset: NCIT:C118168 subset: NCIT:C118464 subset: NCIT:C128453 subset: NCIT:C156952 subset: NCIT:C157711 subset: NCIT:C158035 subset: NCIT:C158520 subset: NCIT:C177537 subset: NCIT:C54450 subset: NCIT:C61410 subset: NCIT:C62596 subset: NCIT:C66830 subset: NCIT:C90259 subset: NCIT:C96388 subset: NCIT:C99147 synonym: "Clinical Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "ID" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "INFECTION" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000045364", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Infectious" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="AD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Infectious Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Infectious Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CPTAC"} synonym: "Infectious Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Infectious Diseases and Manifestations" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Infectious Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Infectious Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Infectious Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Infectious Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Unspecified Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="1930", http://purl.obolibrary.org/obo/NCIT_P386="CDRH", http://purl.obolibrary.org/obo/NCIT_P384="FDA"} xref: IMDRF:E1906 is_a: NCIT:C93210 ! Inflammatory Disorder property_value: NCIT:A32 NCIT:C81239 property_value: NCIT:NHC0 "C26726" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P107 "Infectious Disorder" xsd:string property_value: NCIT:P108 "Infectious Disorder" xsd:string property_value: NCIT:P207 "C0009450" xsd:string property_value: NCIT:P317 "Patient Code (Appendix B)" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CPTAC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "FDA" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P322 "MedDRA" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P325 "A disorder resulting from the presence and activity of a microbial, viral, fungal, or parasitic agent. It can be transmitted by direct or indirect contact." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NICHD"} property_value: NCIT:P325 "A disorder resulting from the presence and activity of a microbial, viral, or parasitic agent. It can be transmitted by direct or indirect contact. (NCI)" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P325 "Invasion and multiplication of germs in the body. Infections can occur in any part of the body and can spread throughout the body. The germs may be bacteria, viruses, yeast, or fungi. They can cause a fever and other problems, depending on where the infection occurs. When the body's natural defense system is strong, it can often fight the germs and prevent infection. Some cancer treatments can weaken the natural defense system." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P325 "The report describes a non-specific or unidentified infection. Note: Please use the appropriate term if the report describes a specific infection. i.e. Bacterial Infection E1901, Fungal Infection E1902, Viral Infection E1907, or a relevant Level 3 term where more detail is available." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="FDA", http://purl.obolibrary.org/obo/NCIT_P381="CDRH"} property_value: NCIT:P366 "Infectious_Disorder" xsd:string property_value: NCIT:P375 "Infection" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="LLT", http://purl.obolibrary.org/obo/NCIT_P395="10021789", http://purl.obolibrary.org/obo/NCIT_P396="MedDRA", http://purl.obolibrary.org/obo/NCIT_P397="18.1"} property_value: NCIT:P375 "Infection" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="cause_of_death", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} property_value: NCIT:P375 "Other and unspecified infectious diseases" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Related To", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="B99", http://purl.obolibrary.org/obo/NCIT_P396="ICD10CM 2017"} [Term] id: NCIT:C27851 name: Human Papillomavirus Infection def: "An infectious process caused by a human papillomavirus. This infection can cause abnormal tissue growth." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 subset: NCIT:C157711 subset: NCIT:C177537 synonym: "HPV" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "HPV Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Human Papilloma Virus Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Human Papillomavirus Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Human Papillomavirus Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "Human Papillomavirus Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Human Papillomavirus Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} is_a: NCIT:C3439 ! Viral Infection property_value: NCIT:A32 NCIT:C16457 property_value: NCIT:A32 NCIT:C17103 property_value: NCIT:NHC0 "C27851" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P107 "Human Papillomavirus Infection" xsd:string property_value: NCIT:P108 "Human Papillomavirus Infection" xsd:string property_value: NCIT:P207 "C0343641" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P366 "Human_Papilloma_Virus_Infection" xsd:string property_value: NCIT:P375 "Human Papillomavirus Infection" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="risk_factor", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} property_value: NCIT:P375 "Human Papillomavirus Infection" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="PT", http://purl.obolibrary.org/obo/NCIT_P395="comorbidity", http://purl.obolibrary.org/obo/NCIT_P396="GDC"} [Term] id: NCIT:C2991 name: Disease or Disorder def: "Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the person affected or those in contact with the person. The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 subset: NCIT:C138188 subset: NCIT:C138189 subset: NCIT:C157711 subset: NCIT:C165451 subset: NCIT:C166373 subset: NCIT:C173072 subset: NCIT:C175324 subset: NCIT:C177536 subset: NCIT:C61410 subset: NCIT:C67497 subset: NCIT:C90259 subset: NCIT:C99147 synonym: "condition" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000651193", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Diagnosis" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTDC", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTDC", http://purl.obolibrary.org/obo/NCIT_P383="PT"} synonym: "disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC-GLOSS"} synonym: "Disease or Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Disease or Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Disease or Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Disease or Disorder, Non-Neoplastic" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="PT"} synonym: "disease term" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P386="ICDC", http://purl.obolibrary.org/obo/NCIT_P384="ICDC"} synonym: "disease type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P385="VAR", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "disease_term" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ICDC", http://purl.obolibrary.org/obo/NCIT_P384="ICDC"} synonym: "disease_type" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="VAR", http://purl.obolibrary.org/obo/NCIT_P384="GDC"} synonym: "Diseases" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diseases and Disorders" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000407758", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} synonym: "Disorders" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Other Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} xref: IMDRF:E23 is_a: NCIT:C7057 ! Disease, Disorder or Finding property_value: NCIT:A31 NCIT:C17998 property_value: NCIT:A31 NCIT:C184783 property_value: NCIT:A31 NCIT:C184784 property_value: NCIT:A31 NCIT:C3055 property_value: NCIT:A31 NCIT:C3059 property_value: NCIT:A31 NCIT:C3161 property_value: NCIT:A31 NCIT:C3172 property_value: NCIT:A31 NCIT:C3208 property_value: NCIT:A31 NCIT:C3230 property_value: NCIT:A31 NCIT:C3247 property_value: NCIT:A31 NCIT:C3262 property_value: NCIT:A31 NCIT:C3286 property_value: NCIT:A31 NCIT:C3411 property_value: NCIT:A31 NCIT:C3422 property_value: NCIT:A31 NCIT:C3468 property_value: NCIT:A31 NCIT:C3708 property_value: NCIT:A31 NCIT:C3709 property_value: NCIT:A31 NCIT:C3723 property_value: NCIT:A31 NCIT:C3743 property_value: NCIT:A31 NCIT:C3784 property_value: NCIT:A31 NCIT:C3786 property_value: NCIT:A31 NCIT:C3787 property_value: NCIT:A31 NCIT:C3792 property_value: NCIT:A31 NCIT:C40141 property_value: NCIT:A31 NCIT:C4063 property_value: NCIT:A31 NCIT:C4197 property_value: NCIT:A31 NCIT:C4198 property_value: NCIT:A31 NCIT:C4248 property_value: NCIT:A31 NCIT:C43234 property_value: NCIT:A31 NCIT:C4345 property_value: NCIT:A31 NCIT:C4463 property_value: NCIT:A31 NCIT:C4665 property_value: NCIT:A31 NCIT:C48660 property_value: NCIT:A31 NCIT:C4972 property_value: NCIT:A31 NCIT:C7056 property_value: NCIT:A31 NCIT:C7387 property_value: NCIT:A31 NCIT:C7539 property_value: NCIT:A31 NCIT:C9295 property_value: NCIT:A31 NCIT:C9343 property_value: NCIT:A31 NCIT:C9357 property_value: NCIT:A31 NCIT:C9360 property_value: NCIT:NHC0 "C2991" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P107 "Disease or Disorder" xsd:string property_value: NCIT:P108 "Disease or Disorder" xsd:string property_value: NCIT:P207 "C0012634" xsd:string property_value: NCIT:P322 "CDISC-GLOSS" xsd:string property_value: NCIT:P322 "CTDC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "GDC" xsd:string property_value: NCIT:P322 "ICDC" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P325 "Any abnormal condition of the body or mind that causes discomfort, dysfunction, or distress to the affected person. NOTE: The term is often used broadly to include injuries, disabilities, syndromes, symptoms, deviant behaviors, and atypical variations of structure and function. [After NCI Thesaurus] See also diagnosis." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC-GLOSS"} property_value: NCIT:P325 "In medicine, a health problem with certain characteristics or symptoms." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Diseases_and_Disorders" xsd:string [Term] id: NCIT:C3439 name: Viral Infection def: "Any disease caused by a virus." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 subset: NCIT:C118464 subset: NCIT:C128453 subset: NCIT:C173231 subset: NCIT:C174019 subset: NCIT:C178115 subset: NCIT:C178121 subset: NCIT:C186316 subset: NCIT:C186341 subset: NCIT:C54450 subset: NCIT:C62596 subset: NCIT:C90259 subset: NCIT:C96388 synonym: "Viral Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} synonym: "Viral Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Viral Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="CDRH", http://purl.obolibrary.org/obo/NCIT_P384="FDA", http://purl.obolibrary.org/obo/NCIT_P385="2248"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC", http://purl.obolibrary.org/obo/NCIT_P386="HL"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ALL", http://purl.obolibrary.org/obo/NCIT_P384="PCDC"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P386="AML", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Viral Infection" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NICHD"} xref: IMDRF:E1907 is_a: NCIT:C26726 ! Infectious Disorder property_value: NCIT:A24 NCIT:C168868 property_value: NCIT:A35 NCIT:C168868 property_value: NCIT:NHC0 "C3439" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P107 "Viral Infection" xsd:string property_value: NCIT:P108 "Viral Infection" xsd:string property_value: NCIT:P207 "C0042769" xsd:string property_value: NCIT:P317 "Patient Code (Appendix B)" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "FDA" xsd:string property_value: NCIT:P322 "MedDRA" xsd:string property_value: NCIT:P322 "NICHD" xsd:string property_value: NCIT:P322 "PCDC" xsd:string property_value: NCIT:P325 "Any disease caused by a virus." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="FDA", http://purl.obolibrary.org/obo/NCIT_P381="CDRH"} property_value: NCIT:P325 "Any disease caused by a virus." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NICHD"} property_value: NCIT:P366 "Viral_Infection" xsd:string property_value: NCIT:P375 "Viral infection" xsd:string {http://purl.obolibrary.org/obo/NCIT_P393="Has Synonym", http://purl.obolibrary.org/obo/NCIT_P394="LLT", http://purl.obolibrary.org/obo/NCIT_P395="10047461", http://purl.obolibrary.org/obo/NCIT_P396="MedDRA", http://purl.obolibrary.org/obo/NCIT_P397="18.1"} [Term] id: NCIT:C38040 name: Bronchography def: "The radiographic examination of the tracheobronchial tree following the injection of a radiopaque material." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Bronchography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C38040" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Bronchography" xsd:string property_value: NCIT:P207 "C0006282" xsd:string property_value: NCIT:P366 "Bronchography" xsd:string [Term] id: NCIT:C38049 name: Cystography def: "A radiographic procedure to obtain an image of the urinary bladder by filling the bladder with contrast medium." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cystography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C38049" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Cystography" xsd:string property_value: NCIT:P207 "C0203126" xsd:string property_value: NCIT:P366 "Cystography" xsd:string [Term] id: NCIT:C38096 name: Vaginography def: "A radiographic examination of the vagina using the intravaginal injection of contrast medium." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Vaginography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C38096" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Vaginography" xsd:string property_value: NCIT:P207 "C0203051" xsd:string property_value: NCIT:P366 "Vaginography" xsd:string [Term] id: NCIT:C38101 name: X-Ray Imaging def: "A radiographic procedure using the emission of x-rays to form an image of the structure penetrated by the radiation." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C101858 subset: NCIT:C116977 subset: NCIT:C118169 subset: NCIT:C174261 subset: NCIT:C178115 subset: NCIT:C178127 subset: NCIT:C186320 subset: NCIT:C186325 subset: NCIT:C186333 subset: NCIT:C186341 subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C85492 synonym: "Conventional X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Diagnostic Radiology" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Medical Imaging, X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Static X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "X-RAY" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="ALL", http://purl.obolibrary.org/obo/NCIT_P384="PCDC"} synonym: "X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="PCDC", http://purl.obolibrary.org/obo/NCIT_P386="HL"} synonym: "X-ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P386="EWS", http://purl.obolibrary.org/obo/NCIT_P384="PCDC"} synonym: "X-Ray Imaging" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16502 ! Diagnostic Imaging property_value: NCIT:A28 NCIT:C117438 property_value: NCIT:A35 NCIT:C178084 property_value: NCIT:NHC0 "C38101" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Radiography" xsd:string property_value: NCIT:P108 "X-Ray Imaging" xsd:string property_value: NCIT:P207 "C0043299" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P322 "PCDC" xsd:string property_value: NCIT:P325 "A radiographic procedure using the emission of x-rays, a type of penetrating energy wave." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Radiography" xsd:string [Term] id: NCIT:C38102 name: Abdominal Radiography def: "A radiographic procedure to form an image of the abdomen." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Abdominal Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Abdominal X-Ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "abdominal x-ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="CDR0000455670", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C38102" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Abdominal Radiography" xsd:string property_value: NCIT:P207 "C0034573" xsd:string property_value: NCIT:P325 "An x-ray of the organs inside the abdomen. An x-ray is a type of radiation that can pass through the body and onto film, making pictures of areas inside the body. X-rays may be used to help diagnose disease." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Abdominal_Radiography" xsd:string [Term] id: NCIT:C38103 name: Chest Radiography def: "An x-ray examination of the chest." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118169 synonym: "Chest Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Chest Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Chest X-ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "chest x-ray" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="CDR0000304687", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI-GLOSS"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C38103" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P107 "Chest Radiography" xsd:string property_value: NCIT:P108 "Chest Radiography" xsd:string property_value: NCIT:P207 "C0039985" xsd:string property_value: NCIT:P322 "CTRP" xsd:string property_value: NCIT:P325 "An x-ray of the structures inside the chest. An x-ray is a type of high-energy radiation that can go through the body and onto film, making pictures of areas inside the chest, which can be used to diagnose disease." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="NCI-GLOSS"} property_value: NCIT:P366 "Chest_Radiography" xsd:string [Term] id: NCIT:C39773 name: Strenuous Exercise def: "20-60 minutes of exercise which elevates your heart rate to 80-90% of your maximum heart rate performed at least 3-4 times per week." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Strenuous Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Strenuous Exercise" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16567 ! Exercise property_value: NCIT:NHC0 "C39773" xsd:string property_value: NCIT:P106 "Daily or Recreational Activity" xsd:string property_value: NCIT:P108 "Strenuous Exercise" xsd:string property_value: NCIT:P207 "C1514989" xsd:string property_value: NCIT:P366 "Strenuous_Exercise" xsd:string property_value: NCIT:P98 "Strenuous exercises include jogging, swimming, bicycling, and brisk walking. Maximum heart rate is approximately 220 minus current age in years." xsd:string [Term] id: NCIT:C43431 name: Activity def: "An active process; excludes processes and mechanisms which fulfill biological functions." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C105551 subset: NCIT:C159501 subset: NCIT:C159503 synonym: "Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="BRIDG 5.3"} synonym: "Activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="BRIDG 3.0.3"} synonym: "General activity" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} property_value: NCIT:NHC0 "C43431" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Activity" xsd:string property_value: NCIT:P207 "C0441655" xsd:string property_value: NCIT:P322 "BRIDG" xsd:string property_value: NCIT:P325 "Any action that can, in the context of a study or a post-marketing investigation, be defined, planned, scheduled or performed. EXAMPLE(S): surgical procedure, laboratory test, administration of a drug." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="BRIDG 3.0.3"} property_value: NCIT:P325 "Any action that can, in the context of a study, experiment, post-marketing investigation, or disease registry, be defined, planned, scheduled or performed. EXAMPLE(S): Administrative activities such as subject registration or informed consent Clinical activities such as surgical procedure, laboratory test, administration of a drug OTHER NAME(S): NOTE(S):" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="BRIDG 5.3"} property_value: NCIT:P366 "Activity" xsd:string [Term] id: NCIT:C53462 name: Travel def: "The act of going from one place to another." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Travel" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C25404 ! Action property_value: NCIT:NHC0 "C53462" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Travel" xsd:string property_value: NCIT:P207 "C0040802" xsd:string property_value: NCIT:P366 "Travel" xsd:string [Term] id: NCIT:C53529 name: Non-Neoplastic Disorder def: "Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C102905 subset: NCIT:C103097 subset: NCIT:C61410 subset: NCIT:C77526 subset: NCIT:C90017 synonym: "NON-NEOPLASTIC" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Non-neoplastic condition, NOS" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="90600296", http://purl.obolibrary.org/obo/NCIT_P384="CTEP", http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P386="SDC"} synonym: "Non-Neoplastic Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Non-Neoplastic Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Non-neoplastic Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Non-neoplastic disorder, NOS" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P385="90600296", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CTEP", http://purl.obolibrary.org/obo/NCIT_P386="SDC"} is_a: NCIT:C2991 ! Disease or Disorder property_value: NCIT:NHC0 "C53529" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P108 "Non-Neoplastic Disorder" xsd:string property_value: NCIT:P207 "C1709246" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P322 "CTEP" xsd:string property_value: NCIT:P325 "Any disorder other than abnormal tissue growth resulting from uncontrolled cell proliferation. (NCI)" xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Non-Neoplastic_Disorder" xsd:string [Term] id: NCIT:C53547 name: Non-Neoplastic Disorder by Special Category synonym: "Non-Neoplastic Disease by Special Category" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Non-Neoplastic Disorder by Special Category" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="HD", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C53529 ! Non-Neoplastic Disorder property_value: NCIT:NHC0 "C53547" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P108 "Non-Neoplastic Disorder by Special Category" xsd:string property_value: NCIT:P207 "C1709248" xsd:string property_value: NCIT:P366 "Non-Neoplastic_Disorder_by_Special_Category" xsd:string [Term] id: NCIT:C61497 name: Cessation def: "A stopping." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cessation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Cessation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C25404 ! Action property_value: NCIT:NHC0 "C61497" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Cessation" xsd:string property_value: NCIT:P207 "C1880019" xsd:string property_value: NCIT:P366 "Cessation" xsd:string [Term] id: NCIT:C61508 name: Cholangiography def: "The radiographic examination of the bile ducts after a contrast medium has been injected." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Cholangiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C61508" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Cholangiography" xsd:string property_value: NCIT:P207 "C0008307" xsd:string property_value: NCIT:P366 "Cholangiography" xsd:string [Term] id: NCIT:C7057 name: Disease, Disorder or Finding def: "A condition that is relevant to human neoplasms and non-neoplastic disorders. This includes observations, test results, history and other concepts relevant to the characterization of human pathologic conditions." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Disease, Disorder or Finding" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} property_value: NCIT:NHC0 "C7057" xsd:string property_value: NCIT:P106 "Conceptual Entity" xsd:string property_value: NCIT:P108 "Disease, Disorder or Finding" xsd:string property_value: NCIT:P207 "C1511989" xsd:string property_value: NCIT:P366 "Diseases_Disorders_and_Findings" xsd:string [Term] id: NCIT:C73554 name: Walking def: "The act of traveling by foot." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C105551 synonym: "Ambulation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "By Foot" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "On Foot" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} synonym: "Walk" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Walking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Walking" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="caDSR"} is_a: NCIT:C17708 ! Physical Activity property_value: NCIT:NHC0 "C73554" xsd:string property_value: NCIT:P106 "Daily or Recreational Activity" xsd:string property_value: NCIT:P108 "Walking" xsd:string property_value: NCIT:P207 "C0080331" xsd:string property_value: NCIT:P366 "Walking" xsd:string [Term] id: NCIT:C75563 name: Unemployed def: "The state of not having a job." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C102587 subset: NCIT:C111108 subset: NCIT:C167409 subset: NCIT:C61410 subset: NCIT:C66830 synonym: "Does Not Work" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Doesn't Work" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Don't Work" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "No" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P386="PCC", http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="ACC/AHA"} synonym: "NOT EMPLOYED" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-EMPSTAT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Unemployed" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "UNEMPLOYMENT" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC", http://purl.obolibrary.org/obo/NCIT_P385="SDTM-RISKSOC"} synonym: "Unemployment" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C179143 ! Employment Status property_value: NCIT:NHC0 "C75563" xsd:string property_value: NCIT:P106 "Qualitative Concept" xsd:string property_value: NCIT:P108 "Unemployed" xsd:string property_value: NCIT:P207 "C0041674" xsd:string property_value: NCIT:P322 "ACC/AHA" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "The state of not having a job." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} property_value: NCIT:P366 "Unemployment" xsd:string [Term] id: NCIT:C86589 name: Sedentary Lifestyle def: "A type of lifestyle that lacks physical exercise, characterized by sitting, reading, watching television or using a computer for much of the day without vigorous physical exertion." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C116977 subset: NCIT:C118168 synonym: "Sedentary Behavior" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Sedentary Lifestyle" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="CTRP", http://purl.obolibrary.org/obo/NCIT_P383="DN"} synonym: "Sedentary Lifestyle" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C16795 ! Lifestyle property_value: NCIT:NHC0 "C86589" xsd:string property_value: NCIT:P106 "Social Behavior" xsd:string property_value: NCIT:P107 "Sedentary Lifestyle" xsd:string property_value: NCIT:P108 "Sedentary Lifestyle" xsd:string property_value: NCIT:P207 "C1532253" xsd:string property_value: NCIT:P322 "CTRP" xsd:string [Term] id: NCIT:C93210 name: Inflammatory Disorder def: "An infectious or non infectious disorder characterized by signs and symptoms derived from focal or extensive tissue infiltration by acute (e.g., polymorphonuclear) or chronic (e.g., lymphocytic-plasmacytic) inflammatory cells. Representative examples of infectious disorders include viral infections, bacterial infections, and parasitic infections. Representative examples of non-infectious inflammatory disorders include inflammatory bowel disease and inflammatory polyps." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C178718 subset: NCIT:C179026 synonym: "Inflammatory Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="SY", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Inflammatory Disorder" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} synonym: "Inflammatory_Disease" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P384="SeroNet", http://purl.obolibrary.org/obo/NCIT_P383="PT"} is_a: NCIT:C53547 ! Non-Neoplastic Disorder by Special Category property_value: NCIT:A37 NCIT:C17998 property_value: NCIT:A37 NCIT:C48660 property_value: NCIT:A37 NCIT:C49487 property_value: NCIT:A37 NCIT:C49488 property_value: NCIT:NHC0 "C93210" xsd:string property_value: NCIT:P106 "Disease or Syndrome" xsd:string property_value: NCIT:P108 "Inflammatory Disorder" xsd:string property_value: NCIT:P207 "C1290884" xsd:string property_value: NCIT:P322 "SeroNet" xsd:string [Term] id: NCIT:C93214 name: Violence def: "An act of aggression between individuals." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Violence" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C25404 ! Action property_value: NCIT:NHC0 "C93214" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Violence" xsd:string property_value: NCIT:P207 "C0042693" xsd:string [Term] id: NCIT:C96001 name: Tobacco Use Cessation def: "Discontinuation of the use of tobacco in any form." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} synonym: "Tobacco Use Cessation" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C19683 ! Personal Behavior is_a: NCIT:C61497 ! Cessation property_value: NCIT:NHC0 "C96001" xsd:string property_value: NCIT:P106 "Activity" xsd:string property_value: NCIT:P108 "Tobacco Use Cessation" xsd:string property_value: NCIT:P207 "C0600549" xsd:string [Term] id: NCIT:C96640 name: Total Body Radiography def: "A diagnostic radiologic test that involves the examination of the entire body in a single procedure." [] {http://purl.obolibrary.org/obo/NCIT_P378="NCI"} subset: NCIT:C61410 subset: NCIT:C66830 subset: NCIT:C85492 synonym: "TOTAL BODY RADIOGRAPHY" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="CDISC"} synonym: "Total Body Radiography" EXACT [] {http://purl.obolibrary.org/obo/NCIT_P383="PT", http://purl.obolibrary.org/obo/NCIT_P384="NCI"} is_a: NCIT:C38101 ! X-Ray Imaging property_value: NCIT:NHC0 "C96640" xsd:string property_value: NCIT:P106 "Diagnostic Procedure" xsd:string property_value: NCIT:P108 "Total Body Radiography" xsd:string property_value: NCIT:P207 "C3272922" xsd:string property_value: NCIT:P322 "CDISC" xsd:string property_value: NCIT:P325 "A diagnostic radiologic test that involves the examination of the entire body in a single procedure." xsd:string {http://purl.obolibrary.org/obo/NCIT_P378="CDISC"} [Term] id: NPO:1731 name: radiation [Term] id: NPO:1732 name: electromagnetic radiation is_a: NPO:1731 ! radiation [Term] id: NPO:1733 name: gamma radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1734 name: x-ray radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1735 name: ultraviolet radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1736 name: visible light radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1737 name: infrared radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1738 name: far-infrared radiation is_a: NPO:1737 ! infrared radiation [Term] id: NPO:1739 name: mid-infrared radiation is_a: NPO:1737 ! infrared radiation [Term] id: NPO:1740 name: near-infrared radiation is_a: NPO:1737 ! infrared radiation [Term] id: NPO:1741 name: microwave radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1742 name: radiowave radiation is_a: NPO:1732 ! electromagnetic radiation [Term] id: NPO:1743 name: sound radiation is_a: NPO:1731 ! radiation [Term] id: NPO:1744 name: ultrasound radiation is_a: NPO:1743 ! sound radiation [Term] id: OBI:0000011 name: planned process def: "A process that realizes a plan which is the concretization of a plan specification." [] is_a: BFO:0000015 ! process [Term] id: OBI:0100026 name: organism def: "A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs." [] is_a: BFO:0000040 ! material entity union_of: NCBITaxon:10239 ! Viruses union_of: NCBITaxon:2 ! Bacteria union_of: NCBITaxon:2157 ! Archaea union_of: NCBITaxon:2759 ! Eukaryota property_value: IAO:0000111 "organism" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/Organism" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl [Term] id: PATO:0000001 name: quality namespace: quality alt_id: PATO:0000072 def: "A dependent entity that inheres in a bearer by virtue of how the bearer is related to other entities" [PATOC:GVG] is_a: BFO:0000020 ! specifically dependent continuant property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: IAO:0000589 "quality (PATO)" xsd:string [Term] id: PATO:0000025 name: composition def: "A single physical entity inhering in an bearer by virtue of the bearer's quantities or relative ratios of subparts." [] synonym: "composed of" EXACT [] synonym: "compositionality" EXACT [] synonym: "content" EXACT [] synonym: "structure, composition" EXACT [] is_a: PATO:0000141 ! structure [Term] id: PATO:0000033 name: concentration of namespace: quality def: "A quality inhering in a substance by virtue of the amount of the bearer's there is mixed with another substance." [] subset: attribute_slim subset: relational_slim subset: scalar_slim synonym: "concentration" EXACT [] is_a: PATO:0002182 ! molecular quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/cdno.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000048 name: hardness def: "A physical quality inhering in a bearer by virtue of the bearer's resistance to pressure, being broken, or pierced" [] synonym: "impenetrability" RELATED [] synonym: "toughness" RELATED [] is_a: PATO:0001546 ! quality of a solid [Term] id: PATO:0000051 name: morphology def: "A quality of a single physical entity inhering in the bearer by virtue of the bearer's size or shape or structure." [] is_a: PATO:0001241 ! physical object quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000052 name: shape def: "A morphological quality inhering in a bearer by virtue of the bearer's ratios of distances between its features (points, edges, surfaces and also holes etc)." [] synonym: "relational shape quality" EXACT [] is_a: PATO:0000051 ! morphology [Term] id: PATO:0000068 name: qualitative namespace: quality comment: TODO: define this or obsolete it and move children somewhere else. is_a: PATO:0000001 ! quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000069 name: deviation (from_normal) namespace: quality def: "A quality inhering in a bearer by virtue of the whether the bearer differs from normal or average." [PATOC:GVG] subset: attribute_slim is_a: PATO:0000068 ! qualitative property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000070 name: amount namespace: quality alt_id: PATO:0000053 alt_id: PATO:0000071 alt_id: PATO:0001169 alt_id: PATO:0001226 def: "The number of entities of this type that are part of the whole organism." [PATOC:GVG] comment: This term was originally named "presence". It has been renamed to reduce ambiguity. Consider annotating with the reciprocal relation,PATO:0001555, has_number_of. For example, rather than E=fin ray Q=count in organism C=10, say E=organism Q=has number of E2= fin ray C=10. subset: attribute_slim synonym: "count in organism" RELATED [] synonym: "number" RELATED [] synonym: "presence" RELATED [] synonym: "presence or absence in organism" EXACT [] synonym: "quantitative" EXACT [] is_a: PATO:0000068 ! qualitative relationship: reciprocal_of PATO:0001555 ! has number of relationship: RO:0015012 PATO:0001555 ! reciprocal of has number of [Term] id: PATO:0000085 name: sensitivity toward def: "A quality inhering in a bearer by virtue of the bearer's disposition to detect or perceive external stimulation." [] synonym: "sensitivity" EXACT [] is_a: PATO:0001995 ! organismal quality [Term] id: PATO:0000117 name: size def: "A morphology quality inhering in a bearer by virtue of the bearer's physical magnitude." [] is_a: PATO:0000051 ! morphology property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000125 name: mass def: "A physical quality that inheres in a bearer by virtue of the proportion of the bearer's amount of matter." [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0000140 name: position def: "A spatial quality inhering in a bearer by virtue of the bearer's spatial location relative to other objects in the vicinity." [] synonym: "location" EXACT [] synonym: "placement" EXACT [] synonym: "relational spatial quality" EXACT [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0000141 name: structure def: "A morphology quality inhering in a bearer by virtue of the bearer's relative position, shape, arrangements and connectivity of an organism's various parts; the pattern underlying its form." [] synonym: "conformation" BROAD [] synonym: "relational structural quality" EXACT [] is_a: PATO:0000051 ! morphology [Term] id: PATO:0000146 name: temperature namespace: quality def: "A physical quality of the thermal energy of a system." [PATOC:GVG] subset: attribute_slim subset: scalar_slim is_a: PATO:0001018 ! physical quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000150 name: texture def: "A morphologic quality inhering in a bearer by virtue of the bearer's relative size, organization and distribution of its surface elements or the representation or invention of the appearance of its surface; visual and tactile surface characteristics." [] is_a: PATO:0000051 ! morphology [Term] id: PATO:0000161 name: rate def: "A quality of a single process inhering in a bearer by virtue of the bearer's occurrence per unit time." [] is_a: PATO:0002062 ! physical quality of a process [Term] id: PATO:0000386 name: hard def: "A hardness quality of being rigid and resistant to pressure." [] synonym: "firm" RELATED [] synonym: "impenetrable" RELATED [] synonym: "tough" RELATED [] is_a: PATO:0000048 ! hardness is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0000406 name: curved def: "A curvature quality inhering in a bearer by virtue of the bearer's having or being marked by a curve or smoothly rounded bend." [] synonym: "bowing" NARROW [] synonym: "curled" RELATED [] is_a: PATO:0001591 ! curvature [Term] id: PATO:0000407 name: flat def: "A quality inhering in a bearer by virtue of the bearer's having a horizontal surface without a slope, tilt, or curvature." [] synonym: "plate-like" RELATED [] is_a: PATO:0002254 ! flattened [Term] id: PATO:0000461 name: normal namespace: quality def: "A quality inhering in a bearer by virtue of the bearer's exhibiting no deviation from normal or average." [PATOC:GVG] subset: abnormal_slim subset: mpath_slim subset: value_slim synonym: "average" RELATED [] is_a: PATO:0000068 ! qualitative property_value: RO:0002604 PATO:0000460 [Term] id: PATO:0000467 name: present namespace: quality def: "A quality inhering in a bearer by virtue of the bearer's existence." [PATOC:GVG] subset: absent_slim subset: value_slim synonym: "present in organism" RELATED [] is_a: PATO:0000070 ! amount property_value: RO:0002604 PATO:0000462 [Term] id: PATO:0000470 name: increased amount namespace: quality alt_id: PATO:0000420 alt_id: PATO:0000650 def: "An amount which is relatively high." [PATOC:GVG] subset: value_slim synonym: "accessory" RELATED [] synonym: "increased" RELATED [] synonym: "increased number" EXACT [] synonym: "present in greater numbers in organism" EXACT [] synonym: "supernumerary" EXACT [] is_a: PATO:0000467 ! present is_a: PATO:0002300 ! increased quality intersection_of: PATO:0000070 ! amount intersection_of: PATO:0000070 ! amount intersection_of: increased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: RO:0002604 PATO:0001997 [Term] id: PATO:0000586 name: increased size def: "A size quality which is relatively high." [] synonym: "big" RELATED [] synonym: "enlarged" RELATED [] synonym: "expanded" RELATED [] synonym: "great" RELATED [] synonym: "large" RELATED [] is_a: PATO:0000117 ! size is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0000587 name: decreased size def: "A size quality which is relatively low." [] synonym: "hypoplasia" NARROW [] synonym: "reduced" RELATED [] synonym: "small" RELATED [] synonym: "tiny" RELATED [] synonym: "underdeveloped" NARROW [] is_a: PATO:0000117 ! size is_a: PATO:0002303 ! decreased object quality [Term] id: PATO:0000912 name: increased rate def: "A rate which is relatively high." [] synonym: "fast rate" EXACT [] synonym: "high rate" EXACT [] is_a: PATO:0000161 ! rate is_a: PATO:0002304 ! increased process quality [Term] id: PATO:0000915 name: thickness def: "A 1-D extent quality which is equal to the dimension through an object as opposed to its length or width." [] comment: Damion Dooley's note: A measure of thickness is usually the smallest diameter of an object. is_a: PATO:0001708 ! 1-D extent property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0000957 name: opacity def: "An optical quality which obtains by virtue of the ability of the bearer to absorb visible light." [] is_a: PATO:0001300 ! optical quality [Term] id: PATO:0000963 name: opaque def: "A optical quality inhering in a bearer by virtue of the bearer's not being clear; not transmitting or reflecting light or radiant energy." [] synonym: "clouding" RELATED [] synonym: "cloudy" RELATED [] synonym: "non-transparent" EXACT [] is_a: PATO:0000957 ! opacity [Term] id: PATO:0000970 name: permeability def: "A structural quality inhering in a bearer by virtue of the bearer's disposition to being permeated or pervaded by a gas or liquid (as by osmosis or diffusion)." [] is_a: PATO:0000141 ! structure [Term] id: PATO:0000973 name: porosity def: "A structure quality inhering in a bearer by virtue of the bearer's disposition to admit the passage of gas or liquid through pores or interstices." [] is_a: PATO:0000141 ! structure [Term] id: PATO:0000983 name: impermeable def: "A permeability quality inhering in a bearer by virtue of the bearer's being incapable of being permeated or pervaded by a gas or liquid (as by osmosis or diffusion)." [] is_a: PATO:0000970 ! permeability [Term] id: PATO:0000984 name: porous def: "A porosity quality inhering in a bearer by virtue of the bearer's being capable of admitting the passage of gas or liquid through pores or interstices." [] is_a: PATO:0000973 ! porosity [Term] id: PATO:0000992 name: viscosity def: "A physical quality of a fluid inhering in a bearer by virtue of the bearer's disposition to internal resistance to flow." [] is_a: PATO:0001548 ! quality of a liquid [Term] id: PATO:0000998 name: viscous def: "A viscosity quality inhering in a bearer by virtue of the bearer's having viscosity." [] is_a: PATO:0000992 ! viscosity [Term] id: PATO:0001018 name: physical quality namespace: quality alt_id: PATO:0002079 def: "A quality of a physical entity that exists through action of continuants at the physical level of organisation in relation to other entities." [PATOC:GVG] subset: attribute_slim synonym: "relational physical quality" EXACT [] xref: Wikipedia:Physical_property is_a: PATO:0001241 ! physical object quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001019 name: mass density def: "A physical quality which inheres in a bearer by virtue of some influence is exerted by the bearer's mass per unit size." [] synonym: "density" RELATED [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001025 name: pressure namespace: quality def: "A physical quality that inheres in a bearer by virtue of the bearer's amount of force per unit area it exerts." [PATOC:GVG] subset: attribute_slim is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001154 name: elongated def: "A quality inhering in a bearer by virtue of the bearer's length being notably higher than its width." [] is_a: PATO:0000052 ! shape [Term] id: PATO:0001159 name: concentrated def: "A concentration quality inhering in a bearer by virtue of the bearer's exhibiting concentration." [] is_a: PATO:0000033 ! concentration of property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001162 name: increased concentration def: "A concentration which is higher relative to the normal or average." [] is_a: PATO:0001159 ! concentrated is_a: PATO:0002305 ! increased object quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001164 name: dense def: "A physical quality which inheres in a bearer by virtue of the bearer's exhibiting density." [] is_a: PATO:0001019 ! mass density [Term] id: PATO:0001199 name: linear def: "A shape quality inhering in a bearer by virtue of the bearer's being narrow, with the two opposite margins parallel." [] is_a: PATO:0000052 ! shape [Term] id: PATO:0001227 name: variant def: "A variability quality inhering in a bearer by virtue of whether the bearer exhibits variation or change." [] synonym: "variable" EXACT [] is_a: PATO:0001303 ! variability [Term] id: PATO:0001236 name: process quality namespace: quality alt_id: PATO:0001239 alt_id: PATO:0001240 def: "A quality which inheres in an process." [PATOC:GVG] comment: See comments of relational quality of a physical entity. synonym: "quality of a process" EXACT [] synonym: "quality of occurrent" EXACT [] synonym: "quality of process" EXACT [] synonym: "relational quality of occurrent" EXACT [] is_a: PATO:0000001 ! quality [Term] id: PATO:0001241 name: physical object quality namespace: quality alt_id: PATO:0001237 alt_id: PATO:0001238 def: "A quality which inheres in a continuant." [PATOC:GVG] comment: Relational qualities are qualities that hold between multiple entities. Normal (monadic) qualities such as the shape of a eyeball exist purely as a quality of that eyeball. A relational quality such as sensitivity to light is a quality of that eyeball (and connecting nervous system) as it relates to incoming light waves/particles. synonym: "monadic quality of a continuant" EXACT [] synonym: "monadic quality of an object" NARROW [] synonym: "monadic quality of continuant" NARROW [] synonym: "multiply inhering quality of a physical entity" EXACT [] synonym: "quality of a continuant" EXACT [] synonym: "quality of a single physical entity" EXACT [] synonym: "quality of an object" EXACT [] synonym: "quality of continuant" EXACT [] xref: snap:Quality is_a: BFO:0000019 ! quality is_a: PATO:0000001 ! quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001291 name: electromagnetic (EM) radiation quality def: "A physical quality that inheres in an bearer by virtue of how that bearer interacts with electromagnetic radiation." [] is_a: PATO:0001739 ! radiation quality [Term] id: PATO:0001300 name: optical quality def: "An EM radiation quality in which the EM radiation is within the fiat range of the spectrum visible deemed to be light." [] is_a: PATO:0001291 ! electromagnetic (EM) radiation quality is_a: PATO:0070060 ! quality of interaction of a substance with electromagnetic radiation [Term] id: PATO:0001303 name: variability def: "A quality inhering in a bearer by virtue of the bearer's disposition to varying or changing." [] synonym: "variability of a physical quality" RELATED [] is_a: PATO:0000001 ! quality [Term] id: PATO:0001305 name: increased temperature namespace: quality alt_id: PATO:0000678 def: "A temperature which is relatively high." [PATOC:GVG] subset: value_slim synonym: "high temperature" EXACT [] synonym: "hot" EXACT [] is_a: PATO:0000146 ! temperature is_a: PATO:0002305 ! increased object quality intersection_of: PATO:0000146 ! temperature intersection_of: PATO:0000146 ! temperature intersection_of: increased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0001306 [Term] id: PATO:0001306 name: decreased temperature namespace: quality alt_id: PATO:0000677 def: "A temperature which is relatively low." [PATOC:GVG] subset: value_slim synonym: "cold" EXACT [] synonym: "low temperature" EXACT [] is_a: PATO:0000146 ! temperature is_a: PATO:0002303 ! decreased object quality intersection_of: PATO:0000146 ! temperature intersection_of: PATO:0000146 ! temperature intersection_of: decreased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0001305 [Term] id: PATO:0001332 name: amorphous def: "A morphology quality inhering in a bearer by virtue of the bearer's lack of distinct morphology." [] is_a: PATO:0000051 ! morphology [Term] id: PATO:0001396 name: cellular quality namespace: quality def: "A monadic quality of continuant that exists at the cellular level of organisation." [PATOC:GVG] is_a: PATO:0070044 ! anatomical structure quality [Term] id: PATO:0001404 name: nucleate quality namespace: quality def: "A cellular quality inhering in a bearer by virtue of bearer's number of nuclei." [PATOC:GVG] subset: attribute_slim is_a: PATO:0001396 ! cellular quality [Term] id: PATO:0001405 name: anucleate namespace: quality def: "A nucleate quality inhering in a bearer by virtue of the bearer's having no nucleus." [Biology-online:Biology-online] subset: cell_quality subset: mpath_slim subset: value_slim is_a: PATO:0001404 ! nucleate quality [Term] id: PATO:0001406 name: binucleate namespace: quality def: "A nucleate quality inhering in a bearer by virtue of the bearer's having two nuclei." [Biology-online:Biology-online] subset: cell_quality subset: mpath_slim subset: value_slim is_a: PATO:0001908 ! multinucleate [Term] id: PATO:0001407 name: mononucleate namespace: quality def: "A nucleate quality inhering in a bearer by virtue of the bearer's having one nucleus." [Biology-online:Biology-online] subset: cell_quality subset: mpath_slim subset: value_slim is_a: PATO:0002505 ! nucleated [Term] id: PATO:0001411 name: structured def: "A structural quality inhering in a bearer by virtue of the bearer's having distinct structure." [] is_a: PATO:0000141 ! structure [Term] id: PATO:0001412 name: unstructured def: "A structural quality inhering in a bearer by virtue of the bearer's lacking distinct structure." [] is_a: PATO:0000141 ! structure [Term] id: PATO:0001428 name: medium acidity def: "A concentration quality inhering in a medium by virtue of the bearer's tendency to hydronate a specific reference base." [] is_a: PATO:0001842 ! acidity [Term] id: PATO:0001429 name: acidic def: "An medium acidity quality inhering in a solution by virtue of the bearer's a high concentration of H+ ions." [] is_a: PATO:0001428 ! medium acidity [Term] id: PATO:0001454 name: sensitivity to oxygen def: "A sensitivity quality inhering in a bearer by virtue of the bearer's dependence on oxygen." [] is_a: PATO:0000085 ! sensitivity toward [Term] id: PATO:0001456 name: anaerobic def: "A quality inhering in a bearer by virtue of the bearer's independence on oxygen." [] is_a: PATO:0001454 ! sensitivity to oxygen [Term] id: PATO:0001475 name: increased position def: "A position which is relatively high." [] synonym: "high position" RELATED [] is_a: PATO:0000140 ! position is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001476 name: decreased position def: "A positional which is relatively low." [] synonym: "low position" RELATED [] is_a: PATO:0000140 ! position is_a: PATO:0002303 ! decreased object quality [Term] id: PATO:0001481 name: sloped def: "A shape quality inhering in a bearer by virtue of the bearer's having an oblique or slanted direction." [] is_a: PATO:0000052 ! shape [Term] id: PATO:0001485 name: condensed def: "A structural quality inhering in a bearer by virtue of the bearer's being thicker or more closely packed together; pressed tightly together." [] synonym: "compact" BROAD [] synonym: "compressed" EXACT [] synonym: "dense" RELATED [] synonym: "squashed" EXACT [] is_a: PATO:0000141 ! structure [Term] id: PATO:0001543 name: flexibility def: "A physical quality inhering in a bearer by virtue of the bearer's disposition to being turned, bowed, or twisted without breaking." [] is_a: PATO:0001546 ! quality of a solid [Term] id: PATO:0001545 name: inflexible def: "A physical quality inhering in a bearer by virtue of the bearer's inability of being turned, bowed, or twisted without breaking." [] synonym: "stiff" EXACT [] synonym: "stiffness" RELATED [] is_a: PATO:0001543 ! flexibility [Term] id: PATO:0001546 name: quality of a solid def: "A physical quality inhering in a bearer by virtue of the bearer's exhibiting the physical characteristics of an entity characterized by particles arranged such that their shape and volume are relatively stable." [] synonym: "solidity" EXACT [] is_a: PATO:0002198 ! quality of a substance [Term] id: PATO:0001547 name: quality of a gas def: "A physical quality inhering in a bearer by virtue of the bearer's exhibiting the physical characteristics of an entity consisting of particles that have neither a defined volume nor defined shape." [] synonym: "gaseous" EXACT [] is_a: PATO:0002198 ! quality of a substance [Term] id: PATO:0001548 name: quality of a liquid namespace: quality def: "A physical quality inhering in an entity exhibiting the physical characteristics of an amorphous (non-crystalline) form of matter between a gas and a solid that has a definite volume, but no definite shape." [url:http\://www.chemistry-dictionary.com/definition/liquid.php] subset: attribute_slim synonym: "liquidity" EXACT [] is_a: PATO:0002198 ! quality of a substance property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001555 name: has number of namespace: quality def: "The number of parts of a particular type that the bearer entity has. This is a relational quality, and thus holds between two entities: the bearer of the quality, and the type of parts." [PATOC:CJM] subset: attribute_slim subset: relational_slim synonym: "cardinality" RELATED [] synonym: "extra or missing physical or functional parts" EXACT [] synonym: "has or lacks parts of type" EXACT [] synonym: "mereological quality" EXACT [] synonym: "number" RELATED [] synonym: "number of" EXACT [] xref: OBO_REL:has_part is_a: PATO:0001241 ! physical object quality relationship: reciprocal_of PATO:0000070 ! amount relationship: RO:0015012 PATO:0000070 ! reciprocal of amount [Term] id: PATO:0001562 name: decreased mass def: "A mass which is lower than normal or average." [] synonym: "low mass" EXACT [] synonym: "small mass" EXACT [] is_a: PATO:0000125 ! mass is_a: PATO:0002303 ! decreased object quality [Term] id: PATO:0001563 name: increased mass def: "A mass which is higher than normal or average." [] synonym: "high mass" EXACT [] synonym: "large mass" EXACT [] is_a: PATO:0000125 ! mass is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001575 name: decreased pressure namespace: quality def: "A pressure which is relatively low." [PATO:GVG] subset: value_slim synonym: "low pressure" EXACT [] is_a: PATO:0001025 ! pressure is_a: PATO:0002303 ! decreased object quality intersection_of: PATO:0001025 ! pressure intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: RO:0002604 PATO:0001576 [Term] id: PATO:0001576 name: increased pressure namespace: quality def: "A pressure which is relatively high." [PATO:GVG] subset: value_slim synonym: "high pressure" EXACT [] is_a: PATO:0001025 ! pressure is_a: PATO:0002305 ! increased object quality intersection_of: PATO:0001025 ! pressure intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: RO:0002604 PATO:0001575 [Term] id: PATO:0001591 name: curvature def: "A surface shape quality inhering in a bearer by virtue of the bearer's exhibiting a degree of bending." [] is_a: PATO:0000052 ! shape [Term] id: PATO:0001655 name: osmolarity def: "A concentration quality inhering in a bearer by virtue of the bearer's amount of osmoles of solute per liter of solution." [] is_a: PATO:0000033 ! concentration of [Term] id: PATO:0001657 name: increased osmolarity def: "A osmolarity which is relatively high." [] synonym: "high osmolarity" EXACT [] is_a: PATO:0001655 ! osmolarity is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001687 name: elevation def: "A positional quality inhering in a bearer by virtue of the bearer's vertical distance of a point above or below a reference surface." [] is_a: PATO:0000140 ! position [Term] id: PATO:0001688 name: increased elevation def: "An elevation which is relatively high." [] synonym: "elevated" RELATED [] synonym: "high elevation" EXACT [] is_a: PATO:0001475 ! increased position is_a: PATO:0001687 ! elevation [Term] id: PATO:0001689 name: decreased elevation def: "An elevation which is relatively low." [] synonym: "low elevation" EXACT [] is_a: PATO:0001476 ! decreased position is_a: PATO:0001687 ! elevation [Term] id: PATO:0001693 name: increased viscosity def: "A viscosity which relatively high." [] synonym: "high viscosity" EXACT [] is_a: PATO:0000998 ! viscous is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001708 name: 1-D extent def: "A size quality inhering in an bearer by virtue of the bearer's extension in one dimension." [] is_a: PATO:0000117 ! size property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001739 name: radiation quality def: "A quality that inheres in an bearer by virtue of how that bearer interacts with radiation." [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001759 name: granular def: "A composition quality inhering in a bearer by virtue of the bearer's containing granules." [] is_a: PATO:0000025 ! composition [Term] id: PATO:0001788 name: increased mass density def: "A density which is higher relative to the normal or average." [] synonym: "high density" EXACT [] is_a: PATO:0001164 ! dense is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001789 name: domed def: "A curvature quality inhering in a bearer by virtue of the bearer's having a shape resembling a dome." [] is_a: PATO:0000406 ! curved [Term] id: PATO:0001822 name: wetness def: "A quality inhering in a bearer by virtue of whether the bearer's being covered by a liquid." [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001824 name: dry def: "A wetness quality inhering in a bearer by virtue of the bearer's not being covered by a liquid." [] is_a: PATO:0001822 ! wetness [Term] id: PATO:0001842 name: acidity def: "A concentration quality inhering in a bearer by virtue of the bearer's containing acid (hydrogen ions)." [] synonym: "pH" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: PATO:0001844 name: increased acidity def: "An acidity which is relatively high." [] synonym: "high acidity" EXACT [] is_a: PATO:0001842 ! acidity is_a: PATO:0002305 ! increased object quality [Term] id: PATO:0001855 name: horizontal def: "A positional quality inhering in a bearer by virtue of the bearer's being in the plane of the horizon." [] is_a: PATO:0000140 ! position [Term] id: PATO:0001884 name: hydrophobicity def: "A physical quality inhering in a bearer by virtue the bearer's disposition to being water-repellent; tending to repel and not absorb water." [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0001885 name: hydrophobic def: "A quality inhering in a bearer by virtue of the bearer's lacking affinity for water; tending to repel and not absorb water; tending not to dissolve in or mix with or be wetted by water." [] is_a: PATO:0001884 ! hydrophobicity [Term] id: PATO:0001908 name: multinucleate namespace: quality def: "A nucleate quality inhering in a bearer by virtue of the bearer's having more than one nucleus." [PATOC:GVG] subset: mpath_slim subset: value_slim is_a: PATO:0002505 ! nucleated [Term] id: PATO:0001985 name: frozen namespace: quality def: "A quality inhering in a bearer by virtue of the bearer's being kept below its freezing point." [OBI:OBI] subset: value_slim is_a: PATO:0000146 ! temperature property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0001992 name: cellularity namespace: quality def: "An organismal quality inhering in a bearer by virtue of the bearer's consisting cells." [PATOC:GVG] subset: attribute_slim subset: scalar_slim is_a: PATO:0001995 ! organismal quality [Term] id: PATO:0001993 name: multicellular namespace: quality def: "A cellularity quality inhering in a bearer by virtue of the bearer's consisting of more than one cell." [PATOC:GVG] subset: value_slim is_a: PATO:0001992 ! cellularity [Term] id: PATO:0001995 name: organismal quality namespace: quality def: "A quality that inheres in an entire organism or part of an organism." [PATOC:CJM] is_a: PATO:0001241 ! physical object quality [Term] id: PATO:0001997 name: decreased amount namespace: quality alt_id: PATO:0000419 alt_id: PATO:0000468 def: "An amount which is relatively low." [PATOC:GVG] subset: value_slim synonym: "decreased" RELATED [] synonym: "decreased number" EXACT [] synonym: "present in fewer numbers in organism" EXACT [] synonym: "reduced" RELATED [] synonym: "subnumerary" RELATED [] is_a: PATO:0000467 ! present is_a: PATO:0002301 ! decreased quality intersection_of: PATO:0000070 ! amount intersection_of: PATO:0000070 ! amount intersection_of: decreased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: RO:0002604 PATO:0000470 [Term] id: PATO:0002062 name: physical quality of a process is_a: PATO:0001236 ! process quality [Term] id: PATO:0002063 name: columnar def: "A shape inhering in a bearer by virtue of the bearer's being elongated and cylindrical." [] is_a: PATO:0000052 ! shape [Term] id: PATO:0002124 name: laminar def: "A quality inhering in a bearer by virtue of the bearer's processing the form of a thin plate sheet or layer." [] is_a: PATO:0000141 ! structure [Term] id: PATO:0002143 name: sloped downward is_a: PATO:0001481 ! sloped [Term] id: PATO:0002181 name: displaced def: "A positional quality inhering in a bearer by virtue the bearer's being changed in position." [] is_a: PATO:0000140 ! position [Term] id: PATO:0002182 name: molecular quality def: "A quality which inheres in a molecular entity, a single molecule, atom, ion, radical etc." [] synonym: "relational molecular quality" EXACT [] is_a: PATO:0001241 ! physical object quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl [Term] id: PATO:0002198 name: quality of a substance namespace: quality def: "A quality inhering in a bearer by virtue of its constitution." [PATOC:GVG] subset: attribute_slim is_a: PATO:0001018 ! physical quality property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl created_by: George Gkoutos creation_date: 2010-03-15T04:35:27Z [Term] id: PATO:0002253 name: platelike def: "A quality inhering in a bearer by virtue of the bearer's being roundish, flattish shape, possibly with a slightly angled edge." [] synonym: "plate-like" EXACT [] is_a: PATO:0000407 ! flat [Term] id: PATO:0002254 name: flattened def: "A quality inhering in a bearer by virtue of the bearer's surface becoming more extended in a plane." [] synonym: "compressed" RELATED [] is_a: PATO:0001591 ! curvature [Term] id: PATO:0002267 name: edge shape is_a: PATO:0000052 ! shape [Term] id: PATO:0002268 name: centered def: "A positional quality inhering in a bearer by virtue of the bearer's being located in a position equidistant from edges." [] is_a: PATO:0000140 ! position [Term] id: PATO:0002300 name: increased quality namespace: quality def: "A quality that has a value that is increased compared to normal or average." [PATOC:GVG] is_a: PATO:0000069 ! deviation (from_normal) intersection_of: PATO:0000001 ! quality intersection_of: PATO:0000001 ! quality intersection_of: increased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal relationship: increased_in_magnitude_relative_to PATO:0000461 ! normal relationship: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0002301 created_by: George Gkoutos creation_date: 2011-06-16T06:39:43Z [Term] id: PATO:0002301 name: decreased quality namespace: quality def: "A quality that has a value that is decreased compared to normal or average." [PATOC:GVG] is_a: PATO:0000069 ! deviation (from_normal) intersection_of: PATO:0000001 ! quality intersection_of: PATO:0000001 ! quality intersection_of: decreased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal relationship: decreased_in_magnitude_relative_to PATO:0000461 ! normal relationship: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0002300 created_by: George Gkoutos creation_date: 2011-06-16T06:40:15Z [Term] id: PATO:0002302 name: decreased process quality namespace: quality def: "A quality of a process that has a value that is decreased compared to normal or average." [PATOC:GVG] is_a: PATO:0001236 ! process quality is_a: PATO:0002301 ! decreased quality intersection_of: PATO:0001236 ! process quality intersection_of: PATO:0001236 ! process quality intersection_of: decreased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: RO:0002604 PATO:0002304 created_by: George Gkoutos creation_date: 2011-06-16T06:50:59Z [Term] id: PATO:0002303 name: decreased object quality namespace: quality def: "A quality of an object that has a value that is decreased compared to normal or average." [PATOC:GVG] is_a: PATO:0001241 ! physical object quality is_a: PATO:0002301 ! decreased quality intersection_of: PATO:0001241 ! physical object quality intersection_of: PATO:0001241 ! physical object quality intersection_of: decreased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015008 PATO:0000461 ! decreased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0002305 created_by: George Gkoutos creation_date: 2011-06-16T06:51:54Z [Term] id: PATO:0002304 name: increased process quality namespace: quality def: "A quality of a process that has a value that is increased compared to normal or average." [PATOC:GVG] is_a: PATO:0001236 ! process quality is_a: PATO:0002300 ! increased quality intersection_of: PATO:0001236 ! process quality intersection_of: PATO:0001236 ! process quality intersection_of: increased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: RO:0002604 PATO:0002302 created_by: George Gkoutos creation_date: 2011-06-16T06:53:08Z [Term] id: PATO:0002305 name: increased object quality namespace: quality def: "A quality of an object that has a value that is increased compared to normal or average." [PATOC:GVG] is_a: PATO:0001241 ! physical object quality is_a: PATO:0002300 ! increased quality intersection_of: PATO:0001241 ! physical object quality intersection_of: PATO:0001241 ! physical object quality intersection_of: increased_in_magnitude_relative_to PATO:0000461 ! normal intersection_of: RO:0015007 PATO:0000461 ! increased in magnitude relative to normal property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X property_value: IAO:0000412 http://purl.obolibrary.org/obo/pato.owl property_value: RO:0002604 PATO:0002303 created_by: George Gkoutos creation_date: 2011-06-16T06:54:01Z [Term] id: PATO:0002374 name: fluctuating def: "Recurrent and often more or less cyclic alteration." [] is_a: PATO:0001227 ! variant [Term] id: PATO:0002505 name: nucleated namespace: quality def: "A nucleate quality inhering in a bearer by virtue of the bearer's having one or more nucleus." [PATOC:GVG] subset: mpath_slim subset: value_slim is_a: PATO:0001404 ! nucleate quality property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-2061-091X creation_date: 2013-10-21T05:44:34Z [Term] id: PATO:0015009 name: humidity def: "A quality inhering in air by virtue of the partial pressure exerted by the bearer's water vapour content." [] is_a: PATO:0001547 ! quality of a gas [Term] id: PATO:0015010 name: increased humidity def: "An increase in humidity." [] synonym: "humid" RELATED [] is_a: PATO:0002305 ! increased object quality is_a: PATO:0015009 ! humidity [Term] id: PATO:0015021 name: combustibility def: "The propensity of a material to undergo combustion. Combustion encompasses smouldering and flaming combustion. Combustibility is usually applied to solids." [] is_a: PATO:0001018 ! physical quality [Term] id: PATO:0015022 name: increased combustibility def: "An increase in combustibility." [] synonym: "combustible" EXACT [] is_a: PATO:0002305 ! increased object quality is_a: PATO:0015021 ! combustibility [Term] id: PATO:0040008 name: fringed def: "A shape quality inhering in a bearer by virtue of the bearer's having an ornamental border consisting of short straight or twisted threads or strips hanging from cut or raveled edges or from a separate band." [] is_a: PATO:0002267 ! edge shape [Term] id: PATO:0070044 name: anatomical structure quality namespace: quality def: "A quality of continuant that exist at the anatomical level of organisation and anything under it. This includes, but is not limited to, cells , tissues, and components." [] is_a: PATO:0001241 ! physical object quality created_by: http://orcid.org/0000-0001-7258-9596 [Term] id: PATO:0070060 name: quality of interaction of a substance with electromagnetic radiation def: "A quality of a substance on which or through which electromagnetic radiation impinges or traverses with respect to radiation. This substance quality changes the quality of the incident radiation with respect to any of: intensity, direction, scatter and wavelength." [] is_a: PATO:0002198 ! quality of a substance [Term] id: PCO:0000000 name: collection of organisms def: "A material entity that consists of two or more organisms, viruses, or viroids." [] comment: May be of the same or different species. is_a: PCO:0000031 ! organismal entity property_value: IAO:0000112 "Examples include: population, community, species (meaning the collection of organisms that makes up a species, not the taxonomic rank), and family." xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000118 "group of organism" xsd:string property_value: IAO:0000118 "organism collection" xsd:string [Term] id: PCO:0000001 name: population of organisms def: "A collection of organisms, all of the same species, that live in the same place." [] comment: It is sometimes difficult to define the physical boundaries of a population. In the case of sexually reproducing organisms, the individuals within a population have the potential to reproduce with one another during the course of their lifetimes. 'Community', as often used to describe a group of humans, is a type of population of organisms. \n\nClasses for population already exist in IDO ('organism population', IDO_0000509) and OBI ('population', OBI_0000181). The definitions should be standardized across OBO Foundry ontologies and only one term used. is_a: CARO:0001010 ! organism or virus or viroid is_a: PCO:0000018 ! single-species collection of organisms relationship: RO:0002303 ENVO:01000739 ! has habitat habitat property_value: IAO:0000112 "" xsd:string property_value: IAO:0000112 "This a general term that can include every organism of a species living in an area or any subset of them. Subclasses can be more specific as needed." xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000119 ISBN:0878932739 xsd:string [Term] id: PCO:0000002 name: ecological community def: "A multi-species collection of organisms of at least two different species, living in a particular area. Must have at least two populations of different species as members." [] comment: Ecological community is defined broadly here, but includes both ecological interactions (inherited from parent term community) and spatial co-existence. It may be used to describe every organisms living in an area, but is often used to refer only to organisms of a particular taxon or guild (e.g., the plant community, the insect community, the herbivore community). The word community, as it often used to describe a group of humans living together, is a type of single-species collection of organisms, not an ecological community. subset: envoPolar is_a: PCO:0000029 ! multi-species collection of organisms property_value: IAO:0000118 "multispecies community" xsd:string property_value: IAO:0000119 ISBN:0865423504 xsd:string [Term] id: PCO:0000018 name: single-species collection of organisms def: "A material entity that has as parts two or more organisms, viruses, or viroids of the same species and no members of any other species." [] is_a: PCO:0000000 ! collection of organisms property_value: IAO:0000114 IAO:0000120 property_value: IAO:0000118 "collection of organisms of the same species" xsd:string [Term] id: PCO:0000029 name: multi-species collection of organisms def: "A collection of organisms that consists of two or more organisms from at least two species." [] is_a: PCO:0000000 ! collection of organisms property_value: IAO:0000114 IAO:0000123 property_value: IAO:0000116 "Need to add axiom to specify that it has at a mimum members of two different species, but not sure how to specify that. Can't say \"('has member' only ('member of' min 2 'species as a collection of organisms'))\"." xsd:string [Term] id: PCO:0000031 name: organismal entity def: "A material entity that is one or more organisms, viruses or viroids." [] is_a: BFO:0000040 ! material entity property_value: IAO:0000114 IAO:0000120 [Term] id: PO:0000003 name: whole plant namespace: plant_anatomy def: "A plant structure (PO:0005679) which is a whole organism." [POC:curators] comment: Examples include plant embryo (PO:0009009), megagametophyte (PO:0025279) and microgametophyte (PO:0025280). subset: reference subset: TraitNet synonym: "bush (narrow)" NARROW [] synonym: "clonal colony (related)" RELATED [] synonym: "colony (related)" RELATED [] synonym: "frutex (narrow)" NARROW [FNA:e4dde193-57f7-4ab9-9d25-96b4ca0088ba] synonym: "frutices (narrow)" NARROW Plural [FNA:ec8c2064-2a67-43d7-8e14-aecfef5cf33b] synonym: "gametophyte (narrow)" NARROW [] synonym: "genet (broad)" BROAD [] synonym: "herb (narrow)" NARROW [] synonym: "liana (narrow)" NARROW [] synonym: "planta entera (Spanish, exact)" EXACT Spanish [POC:Maria_Alejandra_Gandolfo] synonym: "prothalli (narrow)" NARROW Plural [FNA:4b610104-1bb0-4c6b-9bb9-e3cc61d11ac0] synonym: "prothallium (narrow)" NARROW [] synonym: "prothallus (narrow)" NARROW [FNA:f8f31520-e4bc-4430-9274-8dd3cee7ffd8] synonym: "ramet (broad)" BROAD [] synonym: "seedling (narrow)" NARROW [] synonym: "shrub (narrow)" NARROW [] synonym: "sporophyte (narrow)" NARROW [] synonym: "suffrutex (narrow)" NARROW [FNA:99508f62-7116-4e2b-90c0-19ff55ebd967] synonym: "suffrutices (narrow)" NARROW Plural [FNA:ba1b1bd5-75bd-4195-b11c-3aba08da08c2] synonym: "tree (narrow)" NARROW [] synonym: "vine (narrow)" NARROW [] synonym: "woody clump (narrow)" NARROW [FNA:c1ccca7d-2a98-4a9d-8603-c34b551935e0] synonym: "植物体全体 (Japanese, exact)" EXACT Japanese [NIG:Yukiko_Yamazaki] xref: langual:thesaurus.asp?termid=B1347 xref: PO_GIT:538 xref: PO_GIT:69 is_a: FOODON:03411564 ! food product organismal source is_a: PO:0009011 ! plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000014 name: rosette leaf namespace: plant_anatomy def: "A vascular leaf (PO:0009025) born in a circular pattern around a stem (PO:0009047) with compressed stem internodes (PO:0020142)." [] comment: Arabidopsis, vegetative development is characterized by the production of the rosette leaves. synonym: "hoja en roseta (Spanish, exact)" EXACT [] synonym: "ロゼット葉 (Japanese, exact)" EXACT [] xref: PO_GIT:302 is_a: PO:0009025 ! vascular leaf relationship: part_of PO:0025615 ! rosette property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000017 name: vascular leaf primordium namespace: plant_anatomy def: "A phyllome primordium (PO:0025128) that develops from a vascular leaf anlagen (PO:0025431) and is part of a vegetative shoot apex (PO:0025223) and is committed to the development of a vascular leaf (PO:0009025)." [] synonym: "leaf primordium (exact)" EXACT [] synonym: "portion of vascular leaf primordium tissue (exact)" EXACT [] synonym: "primordio de hoja (Spanish, exact)" EXACT [] synonym: "vascular leaf primordia (exact, plural)" EXACT [] synonym: "葉原基 (Japanese, exact)" EXACT [] xref: PO_GIT:466 is_a: PO:0025128 ! phyllome primordium relationship: part_of PO:0025223 ! vegetative shoot apex relationship: RO:0002202 PO:0025431 ! develops from vascular leaf anlagen property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000018 name: ovule primordium namespace: plant_anatomy def: "A floral structure primordium (PO:0025477) that is committed to the development of an ovule (PO:0020003)." [] comment: The transition from ovule primordium to ovule occurs when an integument (PO:0020021) begins to develop from the protoderm (PO:0006210). synonym: "portion of ovule primordium tissue (exact)" EXACT [] synonym: "primordio de óvulo (Spanish, exact)" EXACT [] synonym: "胚珠原基(可視的) (Japanese, exact)" EXACT [] xref: PO_GIT:465 is_a: PO:0025477 ! floral organ primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000019 name: gynoecium primordium namespace: plant_anatomy def: "A floral structure primordium (PO:0025477) that is committed to the development of a gynoecium (PO:0009062)." [] comment: Use carpel primordium (PO:0004703) for the primordium (PO:0025127) of an individual carpel (PO:0009030). synonym: "pistil primordium (exact)" EXACT [] synonym: "portion of gynoecium primordium tissue (exact)" EXACT [] synonym: "primordio de gineceo (Spanish, exact)" EXACT [] synonym: "雌蕊原基(可視的) (Japanese, exact)" EXACT [] xref: PO_GIT:465 is_a: PO:0025477 ! floral organ primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000037 name: shoot axis apex namespace: plant_anatomy def: "A shoot axis (PO:0025029) that is the most distal part of a shoot system (PO:0009006) and has as parts a shoot apical meristem (PO:0020148) and the youngest primordia (PO:0025127)." [] subset: reference synonym: "ápice del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "シュート頂、茎頂 (Japanese, exact)" EXACT [] xref: PO_GIT:234 is_a: PO:0025029 ! shoot axis property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000045 name: embryo root namespace: plant_anatomy def: "A root (PO:0009005) that is initiated in a developing plant embryo (PO:0009009)." [] subset: reference synonym: "embryonic root (exact)" EXACT [] synonym: "raíz embriónica (Spanish, exact)" EXACT [] synonym: "初期の根、胚根 (Japanese, exact)" EXACT [] xref: PO_GIT:594 is_a: PO:0009005 ! root property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000055 name: bud namespace: plant_anatomy def: "An undeveloped shoot system (PO:0009006)." [] subset: TraitNet synonym: "adventitious bud (narrow)" NARROW [] synonym: "yema (Spanish, exact)" EXACT [] synonym: "芽 (Japanese, exact)" EXACT [] xref: langual:thesaurus.asp?termid=C0289 xref: PO_GIT:124 is_a: PO:0009006 ! shoot system relationship: participates_in PO:0025528 ! bud development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000056 name: flower bud namespace: plant_anatomy def: "A bud that develops into a flower." [] subset: TraitNet synonym: "floral bud (exact)" EXACT [] synonym: "yema floral (Spanish, exact)" EXACT [] synonym: "花芽 (Japanese, exact)" EXACT [] xref: PO_GIT:124 is_a: PO:0025084 ! reproductive bud property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000225 name: peripheral zone namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) which is the organogenic region of the meristem, characterized by higher rates of cell division." [] synonym: "peripheral meristem (related)" RELATED [] synonym: "zona periférica (Spanish, exact)" EXACT [] synonym: "周辺帯 (Japanese, exact)" EXACT [] is_a: PO:0009013 ! portion of meristem tissue relationship: part_of PO:0020148 ! shoot apical meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0000229 name: flower meristem namespace: plant_anatomy alt_id: PO:0006329 alt_id: PO:0006373 alt_id: PO:0006374 alt_id: PO:0025091 def: "A portion of reproductive shoot apical meristem tissue (PO:0008028) that gives rise to the floral organs (PO:0025395)." [] comment: In Zea mays and other grasses, the floret meristem is part of a spikelet and develops into a specific type of floret. If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the spikelet type that the meristem is part of. Choose the most specific term possible from: spikelet (PO:0009051), ear spikelet (PO:0006320), ear pedicellate spikelet (PO:0006348), ear sessile spikelet (PO:0006349), tassel spikelet (PO:0006309), tassel pedicellate spikelet (PO:0006312), tassel sessile spikelet (PO:0006311). synonym: "ear floret meristem (narrow)" NARROW [] synonym: "floral apical meristem (related)" RELATED [] synonym: "floral meristem (exact)" EXACT [] synonym: "floret meristem (narrow)" NARROW [] synonym: "mersitema floral (Spanish, exact)" EXACT [] synonym: "Poaceae floret meristem (narrow)" NARROW [] synonym: "tassel floret meristem (narrow)" NARROW [] synonym: "花芽分裂組織 (Japanese, exact)" EXACT [] is_a: PO:0008028 ! reproductive shoot apical meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0004010 name: meristematic cell namespace: plant_anatomy def: "A native plant cell (PO:0025606) synthesizing protoplasm and producing new cells by division and with only a primary cell wall." [] subset: CL synonym: "célula meristemática (Spanish, exact)" EXACT [] synonym: "stem cell (exact)" EXACT [] synonym: "分裂組織細胞 (Japanese, exact)" EXACT [] xref: CL:0000034 xref: PO_GIT:272 is_a: PO:0025606 ! native plant cell property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0004543 name: shoot axis tuber namespace: plant_anatomy def: "A shoot axis (PO:0025029) that develops from a branch (PO:0025073) and is radially enlarged for storage." [] comment: Functions in storage of photosynthate metabolites. This term should be used for tubers derived from branches, as found in Solanum spp. (e.g. potato) or Dioscorea spp. (e.g. yam) and other species. Use the term tuberous root tuber (PO:0025476) for tubers derived from roots, such as those found in Cassava, Ipomoea, or Hemerocallis. subset: Potato subset: reference subset: TraitNet synonym: "diaspore (broad)" BROAD [] synonym: "shoot axis branch tuber (exact)" EXACT [] synonym: "tubérculo (Spanish, exact)" EXACT [] synonym: "tuber branch (exact)" EXACT [] synonym: "シュート軸塊茎 (Japanese, exact)" EXACT [] xref: PO_GIT:127 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025029 ! shoot axis is_a: PO:0025522 ! tuber relationship: RO:0002202 PO:0025073 ! develops from branch property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0004709 name: axillary bud namespace: plant_anatomy def: "A bud (PO:0000055) that develops from an axillary bud meristem (PO:0000232)." [] subset: reference synonym: "yema axilar (Spanish, exact)" EXACT [] synonym: "腋芽 (Japanese, exact)" EXACT [] xref: PO_GIT:124 is_a: PO:0000055 ! bud property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0005029 name: root primordium namespace: plant_anatomy def: "A primordium (PO:0025127) that develops from a root anlagen (PO:0025433) and is committed to the development of a root (PO:0009005)." [] comment: A root primordium may arise from cells of a pericycle (PO:0006203) in a root in most seed plant (pericyclic lateral root primordium; PO:0025492), from cells of an endodermis (PO:0000252) in ferns and some seed plants (non-pericyclic lateral root primordium: PO:0025493), or from cells of a shoot axis (PO:0025029), in the case of a basal root primordium (PO:0025479) or shoot-borne root primordium (PO:0025480). Transition from root primordium to root occurs with the formation of a root cap (PO:0020123), shortly after the development of a root apical meristem (PO:0020147). synonym: "portion of root primordium tissue (exact)" EXACT [] synonym: "primordio de raíz (Spanish, exact)" EXACT [] synonym: "root primordia (exact, plural)" EXACT [] synonym: "根原基(可視的) (Japanese, exact)" EXACT [] xref: PO_GIT:467 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025127 ! primordium relationship: RO:0002202 PO:0025433 ! develops from root anlagen property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0006001 name: phyllome namespace: plant_anatomy def: "A lateral plant organ (PO:0009008) produced by a shoot apical meristem (PO:0020148)." [] subset: reference subset: TraitNet synonym: "filoma (Spanish, exact)" EXACT [] synonym: "フィロム、葉(的)器官 (Japanese, exact)" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: PO:0009008 ! plant organ relationship: part_of PO:0009006 ! shoot system relationship: RO:0002202 PO:0025128 ! develops from phyllome primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0006079 name: shoot system meristem namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) that is part of a shoot system (PO:0009006)." [] subset: TraitNet synonym: "meristema del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "シュート分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:472 xref: PO_GIT:583 is_a: PO:0009013 ! portion of meristem tissue relationship: part_of PO:0009006 ! shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0006210 name: protoderm namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) that is the outer layer of an apical meristem (PO:0020144), or the outer layer of a plant embryo proper (PO:0000001), and gives rise to a portion of epidermis (PO:0005679)." [] comment: A protoderm may or may not arise from independent initial cells (PO:0004011). Some researchers also refer to it as an epidermis in a meristematic state. synonym: "dermatogen cell (related)" RELATED [] synonym: "portion of protoderm tissue (exact)" EXACT [] synonym: "protodermis (Spanish, exact)" EXACT [] synonym: "前表皮、原表皮 (Japanese, exact)" EXACT [] xref: PO_GIT:125 is_a: PO:0009013 ! portion of meristem tissue property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0007033 name: whole plant development stage namespace: plant_structure_development_stage def: "A plant structure development stage (PO:0009012) that has as primary participant a whole plant (PO:0000003)." [] subset: TraitNet synonym: "cereal plant growth stage ontology (GRO:0007199) (related)" RELATED [] synonym: "maize growth stage (GRO:0007002) (related)" RELATED [] synonym: "plant growth stages in Arabidopsis (TAIR:0000021) (related)" RELATED [] synonym: "rice growth stage (GRO:0007040) (related)" RELATED [] synonym: "Solanaceae whole plant growth stages (SGN:0000001) (related)" RELATED [] synonym: "sorghum growth stage (GRO:0007124) (related)" RELATED [] synonym: "wheat, barley and oat growth stage (GRO:0007156) (related)" RELATED [] xref: PO_GIT:390 is_a: PO:0009012 ! plant structure development stage relationship: has_participant PO:0000003 ! whole plant property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0008016 name: vegetative shoot apical meristem namespace: plant_anatomy def: "A shoot apical meristem (PO:0020148) that gives rise to the apical growth of vegetative tissues and organs." [] synonym: "meristema vegetativo apical del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "vegetative meristem (related)" RELATED [] synonym: "栄養シュート頂端分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:36 is_a: PO:0020148 ! shoot apical meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0008028 name: reproductive shoot apical meristem namespace: plant_anatomy def: "A shoot apical meristem (PO:0020148) that gives rise to the apical growth of reproductive tissues and organs." [] synonym: "meristema apical reproductivo del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "生殖シュート頂端 分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:36 is_a: PO:0020148 ! shoot apical meristem relationship: part_of PO:0025222 ! reproductive shoot apex property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009001 name: fruit namespace: plant_anatomy alt_id: PO:0020067 alt_id: PO:0020068 alt_id: PO:0020069 alt_id: PO:0020070 alt_id: PO:0020071 alt_id: PO:0020072 alt_id: PO:0020073 alt_id: PO:0020074 alt_id: PO:0020076 alt_id: PO:0020077 alt_id: PO:0020078 alt_id: PO:0020079 alt_id: PO:0020080 alt_id: PO:0020082 alt_id: PO:0020083 alt_id: PO:0020087 alt_id: PO:0020107 def: "A multi-tissue plant structure (PO:0025496) that develops from a gynoecium (PO:0009062), or a single carpel (PO:0009030), and at maturity may have as parts one or more seeds (PO:0009010)." [] comment: A fruit (PO:0009001) may contain additional plant structures (PO:0009011) that were part of a flower (PO:0009046) and mature along with the gynoecium, such as a receptacle (PO:0009064). A fruit may develop without fertilization in cases of parthenocarpy, apomixis, or other hormone-induced conditions and may not always contain seeds (PO:0009010). When annotating to fruit (PO:0009001) that are referred to as ‘aggregate’, ‘multiple’, or ‘compound’, please annotate directly to the appropriate plant structure, such as receptacle, hypanthium (PO:0009065) or infructescence (PO:0006342). Fruits only occur in angiosperms. subset: Angiosperm subset: Arabidopsis subset: Maize subset: Poaceae subset: Rice subset: TraitNet synonym: "aggregate fruit (broad)" BROAD [] synonym: "coenocarp (narrow)" NARROW [] synonym: "compound fruit (broad)" BROAD [] synonym: "dehiscent fruit (broad)" BROAD [] synonym: "diaspore (broad)" BROAD [] synonym: "frucht (exact, German)" EXACT [] synonym: "fruto (exact, Spanish)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "multiple fruit (broad)" BROAD [] synonym: "propagule (broad)" BROAD [] synonym: "syncarp (narrow)" NARROW [] synonym: "果実 (exact, Japanese)" EXACT [] xref: PO_GIT:76 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025496 ! multi-tissue plant structure relationship: RO:0002202 PO:0009062 ! develops from gynoecium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl property_value: seeAlso https://en.wikipedia.org/wiki/Fruit_anatomy xsd:anyURI [Term] id: PO:0009002 name: plant cell namespace: plant_anatomy def: "A cell which is a plant structure (PO:0009011)." [] comment: Applies to cells that are living or dead at maturity (e.g., fiber cell or tracheid) and includes any external encapsulating structures (if present) such as the plasma membrane and the plant-type cell wall. Definition of cell GO:0005623: "The basic structural and functional unit of all organisms. Includes the plasma membrane and any external encapsulating structures such as the cell wall and cell envelope". GO:0009505. Definition of plant-type cell wall (GO:0009505): A more or less rigid structure lying outside the cell membrane of a cell and composed of cellulose and pectin and other organic and inorganic substances, synonym; exact: cellulose and pectin-containing cell wall. subset: CL subset: reference subset: TraitNet synonym: "célula vegetal (Spanish, exact)" EXACT [] synonym: "cell (broad)" BROAD [] synonym: "植物細胞 (Japanese, exact)" EXACT [] xref: GO:0005623 xref: PO_GIT:56 is_a: PO:0009011 ! plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009005 name: root namespace: plant_anatomy alt_id: PO:0003006 def: "A plant axis (PO:0025004) that lacks shoot axis nodes (PO:0005004) and usually grows indeterminately." [] comment: Roots function in the absorption of water and inorganic nutrients, anchoring the plant body to the substrate and supporting it, storage of food and nutrients, and vegetative reproduction. The roots of most vascular plant species enter into symbiosis with soil-borne microorganisms. Roots are usually positively geotropic and found underground, although there are many exceptions such as the aerial roots of orchids. Roots often form secondary thickening from the root lateral meristem (PO:0006308). Commonly thought of as one of the three basic parts of the plant body, along with the shoot axis (PO:0025029) and leaves (PO:0025034). subset: Angiosperm subset: Gymnosperms subset: Maize subset: Musa subset: Potato subset: reference subset: Rice subset: Tomato subset: TraitNet synonym: "aerial root (narrow)" NARROW [] synonym: "climbing root (narrow)" NARROW [] synonym: "raíz (Spanish, exact)" EXACT [] synonym: "radices (exact, plural)" EXACT [] synonym: "radix (exact)" EXACT [] synonym: "根 (Japanese, exact)" EXACT [] xref: PO_GIT:578 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025004 ! plant axis relationship: part_of PO:0025025 ! root system relationship: RO:0002202 PO:0005029 ! develops from root primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009006 name: shoot system namespace: plant_anatomy def: "A collective plant organ structure (PO:0025007) that produces shoot-borne portions of meristem tissue (PO:0009013) and the plant structures (PO:0009011) that arise from them." [] comment: The shoot system is generally used to refer to the above-ground plant parts, although some plants have parts of their shoot system underground. For example, a rhizome (PO:0004542), bulb (PO:0025356), a corm (PO:0025355) or a subterranean tuber (PO:0004547), as in Solanum tuberosum (potato) or yam, are all part of the shoot system. subset: reference subset: TraitNet synonym: "Poaceae crown (related)" RELATED [] synonym: "shoot (related)" RELATED [] synonym: "sistema de epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "thalli (related)" RELATED [] synonym: "thallus (related)" RELATED [] synonym: "tree crown (narrow)" NARROW [] synonym: "シュート系、苗条系 (Japanese, exact)" EXACT [] xref: PO_GIT:135 is_a: PO:0025007 ! collective plant organ structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009007 name: portion of plant tissue namespace: plant_anatomy def: "A plant structure (PO:0009011) that consists predominantly of similarly specialized plant cells (PO:0009002) of one or more types." [] comment: A portion of plant tissue may contain one or several types of cells that are organized in a specific spatial arrangement into a structural unit (which includes a mass of callus) and may include an intercellular matrix. May include other types of isolated cells, such as idioblasts. subset: reference subset: TraitNet synonym: "plant tissue (related)" RELATED [] synonym: "porción de un tejido vegetal (Spanish, exact)" EXACT [] synonym: "portion of tissue (broad)" BROAD [] synonym: "tissue (broad)" BROAD [] synonym: "植物組織の一部 (Japanese, exact)" EXACT [] xref: PO_GIT:59 is_a: PO:0009011 ! plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009008 name: plant organ namespace: plant_anatomy def: "A multi-tissue plant structure (PO:0025496) that is a functional unit, is a proper part of a whole plant (PO:0000003), and includes portions of plant tissue (PO:0009007) of at least two different types that derive from a common developmental path." [] comment: Examples include stem (PO:0009047), leaf (PO:0025034), and root (PO:0009005). May include individual plant cells (PO:0009002) that are not part of a portion of plant tissue (e.g., idioblasts, PO:0000283). A plant organ may have one or more different plant organs as parts, such as a sporophyll (PO:0009026) that may have as part a sporangium (PO:0025094) or a carpel (PO:0009030) that may have as part a plant ovule (PO:0020003). subset: TraitNet synonym: "órgano vegetal (Spanish, exact)" EXACT [] synonym: "compound plant organ (related)" RELATED [] synonym: "organ (broad)" BROAD [] synonym: "simple plant organ (related)" RELATED [] synonym: "植物 器官 (Japanese, exact)" EXACT [] xref: PO_GIT:55 is_a: PO:0025496 ! multi-tissue plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009009 name: plant embryo namespace: plant_anatomy def: "A whole plant (PO:0000003) that participates in the plant embryo stage (PO:0007631)." [] comment: A plant embryo is generally formed after the first division of a plant zygote (PO:0000423), but in the case of a nucellar (adventitious) plant embryo (PO:0004537), somatic plant embryo (PO:0025302), microspore-derived cultured plant embryo (PO:0025305), and other embryos that arise through apogamy, it begins after the division of a single cell that is not a zygote. The end of the embryo stage varies among taxa; the beginning of a seed germination stage (PO:0007057) in seed plants, formation of the first vascular leaf (PO:0009025) in pteridophytes, the beginning of development of a sporangium (PO:0025094) in bryophytes, or the beginning of the formation of a plant organ (PO:0009008) such as a root (PO:0009005), shoot axis (PO:0025029), or vascular leaf (PO:0009025) in a cultured plant embryo (PO:0000010). synonym: "embrión (Spanish, exact)" EXACT [] synonym: "embryo (broad)" BROAD [] synonym: "germ (related)" RELATED [] synonym: "植物胚 (Japanese, exact)" EXACT [] xref: PO_GIT:92 is_a: PO:0000003 ! whole plant property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009010 name: seed namespace: plant_anatomy def: "A multi-tissue plant structure (PO:0025496) that develops from a plant ovule (PO:0020003) and has as parts a plant embryo (PO:0009009) enclosed in a seed coat (PO:0009088)." [] comment: A seed generally develops from an ovule (PO:0020003) after fertilization, but may develop without fertilization in the case of apogamy (e.g., adventitious embryos or somatic embryos). A seed is a reproductive unit of seed plants (gymnosperms, angiosperms, and fossil pteridosperms). subset: Angiosperm subset: Arabidopsis subset: Citrus subset: Gymnosperms subset: Maize subset: Poaceae subset: Rice subset: Tomato subset: TraitNet synonym: "diaspore (broad)" BROAD [] synonym: "pyrene (narrow)" NARROW [] synonym: "semilla (Spanish, exact)" EXACT [] synonym: "種子 (Japanese, exact)" EXACT [] xref: PO_GIT:405 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025496 ! multi-tissue plant structure relationship: has_part PO:0009009 ! plant embryo relationship: RO:0002202 PO:0020003 ! develops from plant ovule property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009011 name: plant structure namespace: plant_anatomy def: "A plant anatomical entity (PO:0025131) that is, or was, part of a plant, or was derived from a part of a plant." [CARO:0000003, POC:curators] comment: 'Part' includes both proper parts and the whole plant. CARO:0000003 'connected anatomical structure' is defined as: Material anatomical entity that is a single connected structure with inherent 3D shape, generated by coordinated expression of the organism's own genome. {xref="PO:cooperl"} subset: TraitNet synonym: "estructura vegetal (Spanish, exact)" EXACT Spanish [POC:Maria_Alejandra_Gandolfo] synonym: "植物 構造 (Japanese, exact)" EXACT Japanese [NIG:Yukiko_Yamazaki] xref: langual:thesaurus.asp?termid=C0174 xref: PO_GIT:57 is_a: FOODON:03420116 ! part of organism is_a: PO:0025131 ! plant anatomical entity property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009012 name: plant structure development stage namespace: plant_structure_development_stage alt_id: PO:0007021 def: "A stage in the life of a plant structure (PO:0009011) during which the plant structure undergoes developmental processes." [] comment: Refers to GO:0032502 'developmental process', which includes growth, differentiation, and senescence, and BFO:0000003 'ocurrent'. subset: TraitNet synonym: "Arabidopsis growth (related)" RELATED [] synonym: "etapa de desarrollo de estructura vegetal (Spanish, exact)" EXACT [] synonym: "plant growth and development stage (exact)" EXACT [] xref: PO_GIT:185 is_a: BFO:0000003 ! occurrent property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009013 name: portion of meristem tissue namespace: plant_anatomy def: "A portion of plant tissue (PO:0009007) in which plant cells (PO:0009002) have retained their embryonic characteristics, or have reverted to them secondarily, and that divide to produce new cells that can undergo differentiation to form mature tissues, i.e. they have a capacity for morphogenesis and growth." [] subset: TraitNet synonym: "meristem (exact)" EXACT [] synonym: "meristema (Spanish, exact)" EXACT [] synonym: "meristematic tissue (exact)" EXACT [] synonym: "分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:472 is_a: PO:0009007 ! portion of plant tissue relationship: has_part PO:0004010 ! meristematic cell property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009025 name: vascular leaf namespace: plant_anatomy def: "A leaf (PO:0025034) in a vascular plant." [] comment: Has vascular tissue. From APweb Glossary: In angiosperms, commonly thought of as one of the three basic parts of the seed plant body, a structure usually of determinate growth, without secondary thickening, and of superficial origin, often flattened and photosynthetic in part, and in the axil of which is found a bud. Occurs in the sporophytic phase of a plant life cycle. subset: Angiosperm subset: Arabidopsis subset: Citrus subset: Gymnosperms subset: Maize subset: Musa subset: Potato subset: Pteridophytes subset: reference subset: Rice subset: Tomato subset: TraitNet synonym: "ascidia (narrow)" NARROW [] synonym: "ascidium (narrow)" NARROW [] synonym: "crozier (related)" RELATED [] synonym: "fiddlehead (narrow)" NARROW [] synonym: "foliage leaf (exact)" EXACT [] synonym: "frond (narrow)" NARROW [] synonym: "hoja vascular (Spanish, exact)" EXACT [] synonym: "leaf, vascular (exact)" EXACT [] synonym: "macrophyll (related)" RELATED [] synonym: "megaphyll (related)" RELATED [] synonym: "needle-like leaf (narrow)" NARROW [] synonym: "pitcher (narrow)" NARROW [] synonym: "pitcher blade (narrow)" NARROW [] synonym: "pitcher-blade (narrow)" NARROW [] synonym: "scale-like leaf (narrow)" NARROW [] synonym: "sterile frond (narrow)" NARROW [] synonym: "trophophyll (narrow)" NARROW [] synonym: "vascular leaves (exact, plural)" EXACT [] synonym: "維管束のある葉, または維管束植物の葉 (Japanese, exact)" EXACT [] xref: PO_GIT:137 is_a: PO:0025034 ! leaf relationship: participates_in PO:0028002 ! sporophyte development stage relationship: RO:0002202 PO:0000017 ! develops from vascular leaf primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009046 name: flower namespace: plant_anatomy alt_id: PO:0004541 def: "A determinate reproductive shoot system (PO:0025082) that has as part at least one carpel (PO:0009030) or at least one stamen (PO:0009029) and does not contain any other determinate shoot system (PO:0009006) as a part." [] comment: The characteristic reproductive structure of angiosperms. May have as part one or more petals, sepals or tepals. May contain one or more pistillode (PO:0009078), staminode (PO:0009077) or other aborted organs that don't show up in mature form. subset: Angiosperm subset: reference subset: TraitNet synonym: "Asteraceae floret (narrow)" NARROW [] synonym: "basal flower (narrow)" NARROW [] synonym: "double flower (narrow)" NARROW [] synonym: "flor (Spanish, exact)" EXACT [] synonym: "floret (related)" RELATED [] synonym: "hermaphrodite flower (narrow)" NARROW [] synonym: "monoclinous flower (narrow)" NARROW [] synonym: "perfect flower (narrow)" NARROW [] synonym: "花 (Japanese, exact)" EXACT [] xref: PO_GIT:160 xref: PO_GIT:259 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025082 ! reproductive shoot system relationship: RO:0002202 PO:0000229 ! develops from flower meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009049 name: inflorescence namespace: plant_anatomy alt_id: PO:0009048 alt_id: PO:0009050 alt_id: PO:0020088 alt_id: PO:0020111 alt_id: PO:0020112 alt_id: PO:0020113 alt_id: PO:0020114 alt_id: PO:0020115 alt_id: PO:0020116 alt_id: PO:0020117 alt_id: PO:0020118 alt_id: PO:0020119 alt_id: PO:0020120 def: "A reproductive shoot system (PO:0025082) that has as parts all of the shoot axes (PO:0025029) and flowers (PO:0009046; must have two or more) distal to the most distal leaf (PO:0009025)." [] comment: An inflorescence is a reproductive shoot system from which at least two flowers develop. The growth pattern of an inflorescence may be monopodial (single main shoot axis), sympodial (growth only occurs from axillary meristems), or both. An inflorescence axis (PO:0020122) can be determinate or indeterminate. An inflorescence flower pedicel (PO:0009052) is the ultimate axis in an inflorescence. The flower (PO:0009046) of many plants, for example Magnolia spp., is solitary. subset: Angiosperm subset: reference subset: TraitNet synonym: "inflorescencia (Spanish, exact)" EXACT [] synonym: "Triticeae spike (narrow)" NARROW [] synonym: "花序 (Japanese, exact)" EXACT [] xref: PO_GIT:260 xref: PO_GIT:71 is_a: PO:0025082 ! reproductive shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0009062 name: gynoecium namespace: plant_anatomy alt_id: PO:0006317 alt_id: PO:0006357 alt_id: PO:0006365 alt_id: PO:0006384 alt_id: PO:0006391 alt_id: PO:0006394 alt_id: PO:0006403 alt_id: PO:0006404 alt_id: PO:0006423 alt_id: PO:0006424 alt_id: PO:0006425 alt_id: PO:0006426 alt_id: PO:0025089 def: "A collective phyllome structure (PO:0025023) composed all of the carpels (PO:0009030) in a flower (PO:0009046)." [] comment: If annotating gene expression to a gynoecium with a single carpel (PO:0009030), the annotation should go on carpel. A gynoecium with two or more carpels may be either syncarpous (carpels fused) or apopcarpous (carpels free) or the carpels may be partially fused. The word pistil is used synonymously with gynoecium for a synocarpous gynoecium, and synonymously with carpel for an apocarpous gynoecium, whether it has one or more carpels. In Zea mays, gynoecia of tassel florets and of the lower florets of ear spikelets usually do not develop fully, and they are present in a rudimentary state. If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the corresponding floret type. Choose the most specific term possible from: spikelet floret (PO:0009082), ear floret (PO:0006354), lower floret of pedicellate spikelet of ear (PO:0006353), lower floret of sessile spikelet of ear (PO:0006351), upper floret of pedicellate spikelet of ear (PO:0006350), upper floret of sessile spikelet of ear (PO:0006352), tassel floret (PO:0006310), lower floret of pedicellate spikelet of tassel (PO:0006313), lower floret of sessile spikelet of tassel (PO:0006315), upper floret of pedicellate spikelet of tassel (PO:0006314), upper floret of sessile spikelet of tassel (PO:0006316). subset: reference subset: TraitNet synonym: "apocarpous gynoecium (narrow)" NARROW [] synonym: "ginoecio (Spanish, exact)" EXACT [] synonym: "gynaecium (exact)" EXACT [] synonym: "gynoecia (exact, plural)" EXACT [] synonym: "gynoecium of ear floret (narrow)" NARROW [] synonym: "gynoecium of lower floret of pedicellate spikelet of ear (narrow)" NARROW [] synonym: "gynoecium of lower floret of pedicellate spikelet of tassel (narrow)" NARROW [] synonym: "gynoecium of lower floret of sessile spikelet of ear (narrow)" NARROW [] synonym: "gynoecium of lower floret of sessile spikelet of tassel (narrow)" NARROW [] synonym: "gynoecium of tassel floret (narrow)" NARROW [] synonym: "gynoecium of upper floret of pedicellate spikelet of ear (narrow)" NARROW [] synonym: "gynoecium of upper floret of pedicellate spikelet of tassel (narrow)" NARROW [] synonym: "gynoecium of upper floret of sessile spikelet of ear (narrow)" NARROW [] synonym: "gynoecium of upper floret of sessile spikelet of tassel (narrow)" NARROW [] synonym: "pistil (broad)" BROAD [] synonym: "Poaceae gynoecium (narrow)" NARROW [] synonym: "syncarpous gynoecium (narrow)" NARROW [] synonym: "Zea gynoecium (narrow)" NARROW [] synonym: "雌蕊群 (Japanese, exact)" EXACT [] xref: PO_GIT:470 xref: PO_GIT:71 xref: PO_GIT:98 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025023 ! collective phyllome structure relationship: part_of PO:0009046 ! flower relationship: RO:0002202 PO:0000019 ! develops from gynoecium primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0020003 name: plant ovule namespace: plant_anatomy alt_id: PO:0006457 alt_id: PO:0006491 def: "A plant organ (PO:0009008) that has as parts a nucellus (PO:0020020) in which a female gametophyte (PO:0025279) is located, one or two integuments (PO:0020021), and a funicle (PO:0020006)." [] comment: A seed (PO:0009010) develops from a plant ovule. In angiosperms, a plant ovule is part of a plant ovary (PO:0009072). In conifers, a plant ovule is part of an ovuliferous scale (add term). If you are annotating to this structure for Zea mays or other grasses, please also add an annotation to the corresponding floret type. Choose the most specific term possible from: spikelet floret (PO:0009082), ear floret (PO:0006354), upper floret of pedicellate spikelet of ear (PO:0006350), upper floret of sessile spikelet of ear (PO:0006352). subset: reference subset: TraitNet synonym: "óvulo vegetal (Spanish, exact)" EXACT [] synonym: "Poaceae ovule (narrow)" NARROW [] synonym: "Zea ovule (narrow)" NARROW [] synonym: "胚珠 (Japanese, exact)" EXACT [] xref: PO_GIT:464 xref: PO_GIT:70 is_a: CARO:0000000 ! anatomical entity is_a: PO:0009008 ! plant organ relationship: RO:0002202 PO:0000018 ! develops from ovule primordium property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0020031 name: radicle namespace: plant_anatomy def: "An embryo root (PO:0000045) that is the basal continuation of a hypocotyl (PO:0020100) in a plant embryo (PO:0009009) or a seedling (PO:0000003)." [] comment: May develop into the primary root (PO:0020127) and eventually the root system (PO:0025025) of an adult plant. Sometimes abortive. subset: reference synonym: "radícula (Spanish, exact)" EXACT [] synonym: "幼根 (Japanese, exact)" EXACT [] xref: PO_GIT:344 is_a: PO:0000045 ! embryo root property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0020127 name: primary root namespace: plant_anatomy alt_id: PO:0020089 def: "A root (PO:0009005) that develops directly from a seedling radicle (PO:0020127)." [] comment: The first root of a plant. In dicots and gymnosperms it becomes the tap root, the central axis of a root system (PO:0025025). subset: TraitNet synonym: "raíz primaria (Spanish, exact)" EXACT [] synonym: "tap root (exact)" EXACT [] synonym: "一次根 (Japanese, exact)" EXACT [] xref: PO_GIT:161 is_a: PO:0009005 ! root relationship: RO:0002202 PO:0025297 ! develops from seedling radicle property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0020144 name: apical meristem namespace: plant_anatomy def: "A maximal portion of meristem tissue (PO:0009013) located at a shoot apex (PO:0000037) or root tip (PO:0000025)." [] subset: TraitNet synonym: "AM (exact)" EXACT [] synonym: "meristema apical (Spanish, exact)" EXACT [] synonym: "primary meristem (related)" RELATED [] synonym: "promeristem (broad)" BROAD [] synonym: "頂端分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:579 is_a: PO:0009013 ! portion of meristem tissue relationship: has_part PO:0006210 ! protoderm property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0020148 name: shoot apical meristem namespace: plant_anatomy def: "A shoot system meristem (PO:0006079) formed at the apex of the shoot axis (PO:0025029), including those originating from an axillary bud meristem (PO:0000232)." [] subset: TraitNet synonym: "meristema apical del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "primary shoot meristem (related)" RELATED [] synonym: "promeristem (broad)" BROAD [] synonym: "SAM (exact)" EXACT [] synonym: "茎頂分裂組織 (Japanese, exact)" EXACT [] xref: PO_GIT:472 is_a: PO:0006079 ! shoot system meristem is_a: PO:0020144 ! apical meristem relationship: part_of PO:0000037 ! shoot axis apex property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0025004 name: plant axis namespace: plant_anatomy def: "An axial plant organ (PO:0009008)." [] comment: Includes roots and shoots. subset: TraitNet synonym: "eje de la planta (Spanish, exact)" EXACT [] synonym: "plant axes (exact, plural)" EXACT [] synonym: "植物軸(軸柱) (Japanese, exact)" EXACT [] is_a: PO:0009008 ! plant organ property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-01T03:44:41Z [Term] id: PO:0025007 name: collective plant organ structure namespace: plant_anatomy def: "A collective plant structure (PO:0025497) that is a proper part of a whole plant (PO:0000003), and is composed of two or more adjacent plant organs (PO:0009008) and the associated portions of plant tissue (PO:0009007)." [] comment: Organs can be of the same type or different types. Examples include flower (PO:0009046), perianth (PO:0009058), and inflorescence (PO:0009049). See also collective organ part structure (PO:0025269), for plant structures composed of parts of multiple organs, but no complete plant organs. This was formerly named collective plant structure. subset: TraitNet synonym: "estructura vegetal colectiva de órgano (Spanish, exact)" EXACT [] synonym: "集合植物器官構造 (Japanese, exact)" EXACT [] xref: PO_GIT:63 is_a: PO:0025497 ! collective plant structure relationship: has_part PO:0009008 ! plant organ property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-02-09T04:12:11Z [Term] id: PO:0025022 name: collective leaf structure namespace: plant_anatomy def: "A collective phyllome structure (PO:0025023) composed of two or more leaves (PO:0025034)." [] comment: This term replaces the obsolete term leaf whorl (PO:0008034). If you are looking for annotations for PO:0008034, please use this term instead. synonym: "cycle (broad)" BROAD [] synonym: "estructura colectiva de hoja (Spanish, exact)" EXACT [] synonym: "leaf series (exact)" EXACT [] synonym: "leaf whorl (narrow)" NARROW [] synonym: "rosette (narrow)" NARROW [] synonym: "verticil (broad)" BROAD [] synonym: "葉が集まった構造 (Japanese, exact)" EXACT [] xref: PO_GIT:98 is_a: PO:0025023 ! collective phyllome structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-04-21T12:29:35Z [Term] id: PO:0025023 name: collective phyllome structure namespace: plant_anatomy alt_id: PO:0008033 def: "A collective plant organ structure (PO:0025007) that consists of two or more phyllomes (PO:0006001) originating from the same node or from one or more adjacent nodes with compressed shoot internodes (PO:0005005)." [] subset: TraitNet synonym: "cycle (broad)" BROAD [] synonym: "estructura colectiva del filoma (Spanish, exact)" EXACT [] synonym: "floral whorl (narrow)" NARROW [] synonym: "phyllome whorl (related)" RELATED [] synonym: "verticil (broad)" BROAD [] synonym: "whorl (narrow)" NARROW [] synonym: "葉的器官が集まった構造 (Japanese, exact)" EXACT [] xref: PO_GIT:90 xref: PO_GIT:99 is_a: PO:0025007 ! collective plant organ structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2010-04-28T11:04:34Z [Term] id: PO:0025025 name: root system namespace: plant_anatomy def: "A collective plant organ structure (PO:0025007) that produces root meristems (PO:0006085), the plant structures (PO:0009011) that arise from them and the parts thereof." [] comment: Generally the below ground portion of a vascular plant. subset: TraitNet synonym: "root (broad)" BROAD [] synonym: "sistema de raíz (Spanish, exact)" EXACT [] synonym: "根系 (Japanese, exact)" EXACT [] xref: PO_GIT:136 is_a: PO:0025007 ! collective plant organ structure relationship: participates_in PO:0028002 ! sporophyte development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-01T02:11:26Z [Term] id: PO:0025029 name: shoot axis namespace: plant_anatomy def: "A plant axis (PO:0025004) that is part of a shoot system (PO:0009006)." [] comment: Often bears leaves and branches. In vascular plants, has at least one node and one internode. subset: Angiosperm subset: Arabidopsis subset: Maize subset: Poaceae subset: Rice subset: TraitNet synonym: "caullome (exact)" EXACT [] synonym: "eje del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "shoot (related)" RELATED [] synonym: "シュート軸 (Japanese, exact)" EXACT [] is_a: PO:0025004 ! plant axis relationship: part_of PO:0009006 ! shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-01T03:46:35Z [Term] id: PO:0025034 name: leaf namespace: plant_anatomy def: "A phyllome (PO:0006001) that is not associated with a reproductive structure." [] comment: LanguaL definition: The flat or fleshy expanded blade (lamina) including a small and insignificant leafstalk but excluding a large and fleshy leafstalk such as celery stalks or rhubarb stalks.\n\nLanguaL curation note: If the part indexed consists of a large leafstalk and a leaf blade, use *PLANT ABOVE SURFACE, EXCLUDING FRUIT OR SEED*. Compare *STEM, STALK (WITHOUT LEAVES)*. subset: TraitNet synonym: "hoja (Spanish, exact)" EXACT [] synonym: "葉 (Japanese, exact)" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0200 xref: PO_GIT:274 xref: PO_GIT:301 is_a: FOODON:03420144 ! plant above surface, excluding fruit and seed is_a: PO:0006001 ! phyllome property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-12T01:31:44Z [Term] id: PO:0025073 name: branch namespace: plant_anatomy def: "A shoot axis (PO:00025029) that develops from an axillary bud meristem (PO:0000232) or from equal divisions of a meristematic apical cell (PO:0030007)." [] comment: In vascular plants, branches arise from an axillary bud meristem (PO:0000232) and from divisions of the meristematic apical cell (PO:0030007) in non-vascular plants. subset: TraitNet synonym: "branchlet (narrow)" NARROW [] synonym: "higher order axis (narrow)" NARROW [] synonym: "ramificación (Spanish, exact)" EXACT [] synonym: "secondary axis (narrow)" NARROW [] synonym: "shoot axis branch (exact)" EXACT [] synonym: "tertiary axis (narrow)" NARROW [] synonym: "twig (narrow)" NARROW [] synonym: "枝 (Japanese, exact)" EXACT [] xref: PO_GIT:134 is_a: PO:0025029 ! shoot axis property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-01T04:21:46Z [Term] id: PO:0025082 name: reproductive shoot system namespace: plant_anatomy def: "A shoot system (PO:0009006) in the sporophytic phase that has as part at least one sporangium (PO:0025094)." [] subset: TraitNet synonym: "sistema de brote reproductivo (Spanish, exact)" EXACT [] synonym: "生殖シュート 系、苗条系 (Japanese, exact)" EXACT [] is_a: PO:0009006 ! shoot system relationship: participates_in PO:0025530 ! reproductive shoot system development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-09-17T09:49:10Z [Term] id: PO:0025084 name: reproductive bud namespace: plant_anatomy def: "A bud that develops into a reproductive shoot system." [] subset: TraitNet synonym: "yema reproductiva (Spanish, exact)" EXACT [] synonym: "生殖芽 (Japanese, exact)" EXACT [] is_a: PO:0000055 ! bud is_a: PO:0025082 ! reproductive shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-09-17T01:52:05Z [Term] id: PO:0025099 name: embryo plant structure namespace: plant_anatomy def: "A plant structure (PO:0009011) that is part of an plant embryo (PO:0009009)." [] comment: Includes plant structures that only occur in embryos (such as suspensor) as well as plant structures that are part of an embryo when a plant is in the embryonic phase (such as embryonic radicle). synonym: "embryonic plant structure (exact)" EXACT [] synonym: "estructura vegetal embriónica (Spanish, exact)" EXACT [] synonym: "胚性植物構造 (Japanese, exact)" EXACT [] xref: PO_GIT:245 xref: PO_GIT:339 is_a: PO:0009011 ! plant structure intersection_of: PO:0009011 ! plant structure intersection_of: part_of PO:0009009 ! plant embryo relationship: part_of PO:0009009 ! plant embryo property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-11-05T01:36:24Z [Term] id: PO:0025127 name: primordium namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) that has as parts protoderm (PO:0006210) and sub-epidermal meristematic tissue and is committed to the development of a particular plant structure (PO:0009011)." [] comment: A primordium appears as a protrusion and is the first distinct form of a plant organ (PO:0009008), cardinal organ part (PO:0025001), or collective plant organ structure (PO:0025007). The transition from a primordium to the plant structure it develops into is marked by the development of non-meristematic cells, although meristematic cells may be present after the transition. synonym: "portion of primordial tissue (exact)" EXACT [] synonym: "portion of primordium tissue (exact)" EXACT [] synonym: "primordia (exact, plural)" EXACT [] synonym: "primordio (Spanish, exact)" EXACT [] synonym: "原基(可視的) (Japanese, exact)" EXACT [] xref: PO_GIT:186 is_a: PO:0009013 ! portion of meristem tissue property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-11-15T09:10:22Z [Term] id: PO:0025128 name: phyllome primordium namespace: plant_anatomy def: "A primordium (PO:0025127) that develops from a phyllome anlagen (PO:0025430) and is part of a shoot apex (PO:0000037) and is committed to the development of a phyllome (PO:0006001)." [] comment: The transition from phyllome primordium to phyllome occurs when the first non-meristematic tissue develops begins to develop. synonym: "phyllome primordia (exact, plural)" EXACT [] synonym: "portion of phyllome primordium tissue (exact)" EXACT [] synonym: "primordio del filoma (Spanish, exact)" EXACT [] synonym: "フィロム原基(可視的) (Japanese, exact)" EXACT [] xref: PO_GIT:466 is_a: CARO:0000000 ! anatomical entity is_a: PO:0025127 ! primordium relationship: part_of PO:0000037 ! shoot axis apex relationship: RO:0002202 PO:0025430 ! develops from phyllome anlagen property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-11-15T09:27:11Z [Term] id: PO:0025131 name: plant anatomical entity namespace: plant_anatomy def: "An anatomical entity that is or was part of a plant." [BFO:0000004, CARO:0000000, POC:curators] comment: Includes both material entities such as plant structures and immaterial entities such as plant anatomical spaces. CARO:0000000 'anatomical entity' is defined as: A part of a cellular organism that is either an immaterial entity or a material entity with granularity aboove the level of a protein complex. Or, a substance produced by a cellular organism with granularity above the level of a protein complex. Refers to BFO:0000004 'independent continuant'. {xref="CAROC:Brownsville2014"} synonym: "entidad anatómica vegetal (Spanish, exact)" EXACT Spanish [POC:Maria_Alejandra_Gandolfo] synonym: "植物 解剖学(形態)的実体 (Japanese, exact)" EXACT Japanese [NIG:Yukiko_Yamazaki] xref: PO_GIT:224 is_a: BFO:0000040 ! material entity relationship: only_in_taxon NCBITaxon:33090 {source="cjm"} ! Viridiplantae property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-11-15T11:41:38Z [Term] id: PO:0025222 name: reproductive shoot apex namespace: plant_anatomy def: "A shoot apex that has as part a reproductive shoot apical meristem." [] synonym: "ápice reproductivo del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "生殖シュート頂、茎頂 (Japanese, exact)" EXACT [] is_a: PO:0000037 ! shoot axis apex property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-12-20T08:47:03Z [Term] id: PO:0025223 name: vegetative shoot apex namespace: plant_anatomy def: "A shoot apex PO:0000037) that has as part a vegetative shoot apical meristem (PO:0008016)." [] synonym: "ápice vegetativo del epiblasto (epiblastema) (Spanish, exact)" EXACT [] synonym: "栄養シュート頂、栄養枝頂 (Japanese, exact)" EXACT [] xref: PO_GIT:234 is_a: PO:0000037 ! shoot axis apex relationship: has_part PO:0008016 ! vegetative shoot apical meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-12-20T08:47:03Z [Term] id: PO:0025233 name: portion of embryo plant tissue namespace: plant_anatomy def: "A portion of plant tissue (PO:0009007) that is part of a plant embryo (PO:0009009)." [] comment: This class is for tissues that only occur as part of an embryo. synonym: "portion of embryo tissue (broad)" BROAD [] synonym: "portion of embryonic plant tissue (exact)" EXACT [] synonym: "tejido embriónico vegetal (Spanish, exact)" EXACT [] synonym: "植物胚性組織 の一部 (Japanese, exact)" EXACT [] xref: PO_GIT:338 is_a: PO:0009007 ! portion of plant tissue is_a: PO:0025099 ! embryo plant structure intersection_of: PO:0009007 ! portion of plant tissue intersection_of: part_of PO:0009009 ! plant embryo property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-12-20T12:27:10Z [Term] id: PO:0025296 name: plant embryo radicle namespace: plant_anatomy def: "A radicle (PO:0020031) that is part of a plant embryo (PO:0009009)." [] comment: May eventually develop into the root system (PO:0025025) of an adult plant. Sometimes is abortive. subset: Citrus synonym: "embryonic radicle (exact)" EXACT [] synonym: "radícula del embrión (Spanish, exact)" EXACT [] synonym: "胚幼根 (Japanese, exact)" EXACT [] xref: PO_GIT:344 is_a: PO:0020031 ! radicle is_a: PO:0025099 ! embryo plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2011-04-25T10:41:14Z [Term] id: PO:0025297 name: seedling radicle namespace: plant_anatomy def: "A radicle (PO:0020031) that is part of a whole plant (PO:0000003) in the seedling development stage (PO:0007131)." [] comment: Develops from an embryo radicle (PO:0025296). May develop into the root system (PO:0025025) of an adult plant. Sometimes is abortive. synonym: "radícula de la plántula (Spanish, exact)" EXACT [] synonym: "実生幼根 (Japanese, exact)" EXACT [] xref: PO_GIT:344 is_a: PO:0020031 ! radicle relationship: RO:0002202 PO:0025296 ! develops from plant embryo radicle property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2011-04-25T10:41:48Z [Term] id: PO:0025337 name: life of whole plant stage namespace: plant_structure_development_stage def: "A maximal whole plant development stage." [] comment: There are only two types of life of whole plant. Every life of a whole plant is either a maximal gametophyte stage or a maximal sporophyte stage. synonym: "vida de la planta entera (Spanish, exact)" EXACT [] synonym: "植物体の一生 (Japanese, exact)" EXACT [] xref: PO_GIT:230 is_a: PO:0007033 ! whole plant development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2011-10-19T10:54:37Z [Term] id: PO:0025338 name: collective plant organ structure development stage namespace: plant_structure_development_stage def: "A plant structure development stage (PO:0009012) that has as primary participant a collective plant structure (PO:0025497)." [] comment: Includes flower development stage (PO:0007615), corolla development stage (PO:0007604), and inflorescence development stage (PO:0001083). synonym: "etapa de desarrollo de una estructura colectiva de la planta (Spanish, exact)" EXACT [] synonym: "集合的植物構造の発生過程 (Japanese, exact)" EXACT [] xref: PO_GIT:391 is_a: PO:0009012 ! plant structure development stage relationship: has_participant PO:0025007 ! collective plant organ structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2011-10-19T11:12:49Z [Term] id: PO:0025356 name: bulb namespace: plant_anatomy def: "A short, enlarged shoot system (PO:0009006) that has as parts a short stem (PO:0009047) in which the shoot internodes (PO:0005005) do not elongate, and one or more buds (PO:0000055) enclosed by fleshy leaves (PO:0009025) or leaf bases (PO:0020040)." [] comment: May serve as a storage and/or perennating organ. Usually underground. A bulb differs from a corm (PO:0025355) by having fleshy leaves or leaf bases. The outer leaves of a bulb are often dry and membranous, rather than fleshy. May bear adventitious roots. Examples include Alium and Tulipa. Not the same structure as a bulbil. synonym: "bulblet (narrow)" NARROW [] synonym: "bulbo (Spanish, exact)" EXACT [] synonym: "diaspore (broad)" BROAD [] synonym: "球根、鱗茎 (Japanese, exact)" EXACT [] xref: PO_GIT:173 is_a: PO:0009006 ! shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2011-11-16T03:39:15Z [Term] id: PO:0025395 name: floral organ namespace: plant_anatomy def: "A plant organ (PO:0009008) that is part of a flower (PO:0009046)." [] comment: Includes phyllomes such as anthers and petals, as well as shoot axes such as androphores and gynophores. synonym: "órgano floral (Spanish, exact)" EXACT [] synonym: "flower organ (exact)" EXACT [] synonym: "花器官 (Japanese, exact)" EXACT [] xref: PO_GIT:423 is_a: PO:0009008 ! plant organ intersection_of: PO:0009008 ! plant organ intersection_of: part_of PO:0009046 ! flower relationship: part_of PO:0009046 ! flower property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2012-01-19T11:44:36Z [Term] id: PO:0025430 name: phyllome anlagen namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) that is part of a peripheral zone (PO:0000225) of a shoot apical meristem (PO:0020148) and will give rise to a phyllome primordium (PO:0025128)." [] comment: The phyllome anlagen is only detectable by gene expression, not morphology. synonym: "phyllome meristem (broad)" BROAD [] synonym: "フィロム原基 (Japanese, exact)" EXACT [] xref: PO_GIT:427 is_a: PO:0009013 ! portion of meristem tissue relationship: part_of PO:0000225 ! peripheral zone property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-02-07T08:20:10Z [Term] id: PO:0025431 name: vascular leaf anlagen namespace: plant_anatomy def: "A phyllome anlagen (PO:0025430) that will give rise to a vascular leaf primordium (PO:0000017) and is part of a peripheral zone (PO:0000225) of a shoot apical meristem (PO:0020148)." [] comment: This is the region where you have the maximum concentration of auxin in the SAM (at least in a few species that have been studied). synonym: "leaf meristem (broad)" BROAD [] synonym: "維管束系葉原基 (Japanese, exact)" EXACT [] xref: PO_GIT:407 is_a: PO:0025430 ! phyllome anlagen relationship: part_of PO:0008016 ! vegetative shoot apical meristem property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-02-07T08:40:37Z [Term] id: PO:0025433 name: root anlagen namespace: plant_anatomy def: "A portion of meristem tissue (PO:0009013) that is committed to the development of a root primordium (PO:0005029)." [] comment: Only detectable by gene expression, not morphology. May arise in a pericycle (PO:0006203), as for lateral roots in most seed plants, an endodermis (PO:0000252), as for lateral roots in ferns, or from parenchyma cells (PO:0000074) that are part a shoot axis (PO:0025029), in the case of a basal root (PO:0025002) or shoot-borne root (PO:0000042). synonym: "precursor de raí (Spanish, exact)" EXACT [] synonym: "根原基 (Japanese, exact)" EXACT [] xref: PO_GIT:427 is_a: PO:0009013 ! portion of meristem tissue property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-02-08T01:00:56Z [Term] id: PO:0025476 name: tuberous root tuber namespace: plant_anatomy def: "A root (PO:0009005) that develops from a tuberous root (PO:0025523) and is further radially enlarged for storage." [] comment: Functions in storage. This term should be used for tubers derived from roots (PO:0009005), as found in Cassava or sweet potato (Ipomoea batatas), not for tubers derived from branches (PO:0025073), as found in potatoes and yams. Use the term shoot axis tuber (PO:0004543), aerial tuber (PO:0004548), or subterranean tuber (PO:0004547) for tubers derived from branches. A tuberous root tuber may be distinguished from a tuber that is derived from a branch by the presence of a root cap (PO:0020123) early in development, or the presence of lateral roots (PO:0020121) or their remnants. Sometimes tuber roots bear vegetative buds (PO:0000058) like a tuber derived from a branch. A tuberous root tuber usually develops from a shoot-borne root (PO:0000042) or a lateral root (PO:0020121). synonym: "raíz tubercular (Spanish, exact)" EXACT [] synonym: "root tuber (exact)" EXACT [] synonym: "storage root (exact)" EXACT [] synonym: "tuber root (related)" RELATED [] synonym: "塊茎根の塊茎(Japanese, exact)" EXACT [] xref: PO_GIT:47 is_a: PO:0009005 ! root is_a: PO:0025522 ! tuber relationship: RO:0002202 PO:0025523 ! develops from tuberous root property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2012-04-26T02:09:03Z [Term] id: PO:0025477 name: floral organ primordium namespace: plant_anatomy def: "A primordium (PO:0025127) that is committed to the development of a floral organ (PO:0025395) and is part of a reproductive shoot apex (PO:0025222)." [] comment: If annotating to a primordium of a floral structure, it is better to use the more specific term, such as petal primordium (PO:0000021) or anther primordium (PO:0006089). subset: Angiosperm synonym: "floral structure primordia (exact, plural)" EXACT [] synonym: "portion of floral structure primordium tissue (exact)" EXACT [] synonym: "primordio de organo floral (Spanish, exact)" EXACT [] synonym: "花器官原基 (Japanese, exact)" EXACT [] xref: PO_GIT:465 is_a: PO:0025127 ! primordium relationship: part_of PO:0025222 ! reproductive shoot apex property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2012-04-26T03:57:09Z [Term] id: PO:0025496 name: multi-tissue plant structure namespace: plant_anatomy def: "A plant structure (PO:0009011) that has as parts two or more portions of plant tissue (PO:0009007) of at least two different types and which through specific morphogenetic processes forms a single structural unit demarcated by primarily bona-fide boundaries from other structural units of different types." [] comment: Most multi-tissue plant structures have at least a small connection to other plant structures via a fiat boundary, such as where a leaf (PO:0025034) connects to a shoot axis (PO:0025029), a petal (PO:0009032) connects to a receptacle (PO:0009064), or a branch (PO:0025073) connects to a stem (PO:0009047). Refers to CARO:0000055 multi-tissue structure, def'n: Anatomical structure that has as parts two or more portions of tissue of at least two different types, and which through specific morphogenetic processes, form a single distinct structural unit demarcated by bona-fide boundries from other structural units of differnt types. synonym: "estructura vegetal con múltiples tejidos (Spanish, exact)" EXACT [] synonym: "複数の組織からなる植物構造 (Japanese, exact)" EXACT [] xref: PO_GIT:480 is_a: PO:0009011 ! plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-06-11T14:57:00Z [Term] id: PO:0025497 name: collective plant structure namespace: plant_anatomy def: "A plant structure (PO:0009011) that is a proper part of a whole plant (PO:0000003) and includes two or more adjacent plant organs (PO:0009008) or adjacent cardinal organ parts (PO:0025001), along with any associated portions of plant tissue (PO:0009007)." [] comment: This is a parent term to describe both collective organ part structure (PO:0025269) (e.g. septum), as well as collective plant organ structure (PO:0025007) (which was formerly named collective plant structure), for example shoot system (PO:0009006). synonym: "estructura vegetal colectiva (Spanish, exact)" EXACT [] synonym: "集合的植物構造 (Japanese, exact)" EXACT [] xref: PO_GIT:479 is_a: PO:0009011 ! plant structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-06-11T15:09:20Z [Term] id: PO:0025522 name: tuber namespace: plant_anatomy def: "A plant axis (PO:0025004) that is radially enlarged." [] comment: Functions in storage of photosynthate metabolites. May develop from a branch (PO:0025073) or a root (PO:0009005). If you are annotating to tuber, you should pick the more specific child term: shoot axis tuber (PO:0004543) or tuberous root tuber (PO:0025476). subset: Potato synonym: "塊茎 (Japanese, exact)" EXACT [] xref: PO_GIT:127 is_a: PO:0025004 ! plant axis property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-11-20T18:35:45Z [Term] id: PO:0025523 name: tuberous root namespace: plant_anatomy def: "A root (PO:0009005) that is radially enlarged relative to other lateral roots (PO:0020121) or shoot-borne roots (PO:0000042) on the same plant, but not as enlarged as a tuberous root tuber (PO:0025476)." [] synonym: "raiz tuberosa (Spanish, exact)" EXACT [] synonym: "塊茎根 (Japanese, exact)" EXACT [] xref: PO_GIT:47 is_a: PO:0009005 ! root property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-11-20T18:47:23Z [Term] id: PO:0025527 name: shoot system development stage namespace: plant_structure_development_stage def: "A collective plant organ structure development stage (PO:0025338) that begins with the onset of the plant organ development stage (PO:0025339) and ends with either gametophyte senescent stage (PO:0025343) or sporophyte senescent stage (PO:0007017) or death." [] comment: The shoot system (PO:0009006) develops fron the shoot apical meristem (PO:0020148) in the plant embryo (PO:0009009) in vascular plants. In lower plants the gametophore (PO:0030018) arises from a gametophore meristematic apical cell (PO:0030019) in the protonema (PO:0030003). xref: PO_GIT:517 is_a: PO:0025338 ! collective plant organ structure development stage relationship: has_participant PO:0009006 ! shoot system property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-12-13T18:21:19Z [Term] id: PO:0025528 name: bud development stage namespace: plant_structure_development_stage def: "A shoot system development stage (PO:0025527) that has as primary participant a bud (PO:0009006)." [] xref: PO_GIT:517 is_a: PO:0025527 ! shoot system development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-12-13T18:29:35Z [Term] id: PO:0025530 name: reproductive shoot system development stage namespace: plant_structure_development_stage def: "A shoot system development stage (PO:0025527) that has as primary participant a reproductive shoot system (PO:0025082)." [] xref: PO_GIT:517 is_a: PO:0025527 ! shoot system development stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2012-12-13T19:01:14Z [Term] id: PO:0025606 name: native plant cell namespace: plant_anatomy def: "A plant cell (PO:0009002) that is either part of a multicellular whole plant (PO:0000003) 'in vivo' or a unicellular organism 'in natura' (i.e. part of a natural environment)." [] comment: A native plant cell is one that is not grown or maintained in vitro, nor part of an in vitro plant structure (PO:0000004). xref: PO_GIT:586 is_a: PO:0009002 ! plant cell property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: Laurel_Cooper creation_date: 2014-05-13T16:51:47Z [Term] id: PO:0025615 name: rosette namespace: plant_anatomy def: "A collective leaf structure (PO:0025022) consisting of a group of rosette leaves (PO:0000014), generally borne at the base of the plant, that are separated by very short stem internodes (PO:0020142)." [] xref: PO_GIT:302 xref: PO_GIT:603 is_a: PO:0025022 ! collective leaf structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: meiera creation_date: 2015-09-23T15:41:20Z [Term] id: PO:0028002 name: sporophyte development stage namespace: plant_structure_development_stage def: "A whole plant development stage (PO:0007033) that has as primary participant a whole plant (PO:0000003) during the interval between fertilization (or apogamy) and death." [] comment: A whole plant (PO:0000003) in the sporophyte development stage usually has twice the chromosome complement of a plant in the gametophytic phase, but may not in the case of apogamy. Examples of apogamy include both naturally occurring instances (such as sporophytes arising form haploid cells as in bryophytes or ferns) as well as in vitro instances (such as haploid embryo culture or in vitro fusion of non-gamete cells or protoplasts). During the sporophyte development stage, a plant may produce meiospores by meiosis. subset: TraitNet synonym: "fase esporofítica (Spanish, exact)" EXACT [] synonym: "sporophytic development stage (exact)" EXACT [] synonym: "sporophytic phase (exact)" EXACT [] synonym: "sporphyte phase (exact)" EXACT [] synonym: "胞子体発生過程 (Japanese, exact)" EXACT [] xref: PO_GIT:139 xref: PO_GIT:68 is_a: PO:0007033 ! whole plant development stage relationship: part_of PO:0025337 ! life of whole plant stage property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: rwalls creation_date: 2010-07-15T02:56:11Z [Term] id: PO:0030100 name: legume fruit namespace: plant_anatomy def: "A fruit (PO:0009001) which develops from a carpel (PO:0009030) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that dehisce along two fruit valves (PO:0000033)." [] comment: Legume fruit (PO:0030100) is characteristic of the plant family Fabaceae. Examples: pigeon pea (Cajanus cajan), chickpea (Cicer arietinum), peanut (Arachis hypogaea), soybean (Glycine max), and lentil (Lens culinaris subsp. culinaris). synonym: "dehiscent fruit (broad)" BROAD [] synonym: "hülse (exact, German)" EXACT [] synonym: "legumbre (exact, Spanish)" EXACT [] synonym: "legume (exact)" EXACT [] synonym: "pod (broad)" BROAD [] xref: PO_GIT:645 is_a: PO:0009001 ! fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030102 name: nut fruit namespace: plant_anatomy def: "A fruit (PO:0009001) which develops from a gynoecium (PO:0009062) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that are not fused to a seed coat (PO:0009088)." [] comment: The common names of some species do not accurately reflect their fruit type. For example, the fruit (PO:0009001) of the peanut plant is a legume fruit (PO:0030100) rather than a nut fruit (PO:0030102). Example: pecan (Carya illinoinensis), walnut (Juglans regia), pistachio (Pistacia vera), lotus (Nelumbo nucifera), and acorn (Quercus spp.). synonym: "acorn (narrow)" NARROW [] synonym: "glandes (exact)" EXACT [] synonym: "glans (exact)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "nuez (exact, Spanish)" EXACT [] synonym: "nut (exact)" EXACT [] synonym: "nutlet (exact)" EXACT [] synonym: "nuß (exact, German)" EXACT [] xref: PO_GIT:646 is_a: PO:0009001 ! fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030103 name: drupe fruit namespace: plant_anatomy def: "A fruit (PO:0009001) which develops from a carpel (PO:0009030) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and a stony endocarp (PO:0009086)." [] comment: May develop from an inferior or superior carpel (PO:0009030) and may contain one or more seeds (PO:0009010). Examples: Amborella trichopoda (basal angiosperm), coffee (Coffea canephora), Cornaceae (Davidia spp.), cashew (Anacardium occidentale), coconut (Cocos nucifera), and almond, peach and plum (Prunus spp.). synonym: "drupa (exact, Spanish)" EXACT [] synonym: "drupe (exact)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "steinfrucht (exact, German)" EXACT [] synonym: "stone fruit (exact)" EXACT [] synonym: "whole pit fruit" EXACT [] xref: PO_GIT:647 is_a: PO:0009001 ! fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030104 name: caryopsis fruit namespace: plant_anatomy def: "A fruit (PO:0009001) which develops from a gynoecium (PO:0009062) and at maturity comprises a dry exocarp (PO:0009085), dry mesocarp (PO:0009087), and dry endocarp (PO:0009086) that are fused to a seed coat (PO:0009088)." [] comment: Caryopsis fruit (PO:0030104) is characteristic of the Poaceae (the grass family). Caryopsis fruits develop from a pseudomonomerous gyneocium (PO:0009062), and contain only a single seed due to the abortion of two of the three carpels (PO:0009030). The pericarp of caryopsis fruits of some bamboo species is somewhat fleshy at maturity and is fused to the seed coat; these fruits are referred to in the literature as bacoid caryopses. Examples: barley (Hordeum vulgare), rice (Oryza spp.), wheat (Triticum spp.), corn (Zea mays), sorghum (Sorghum bicolor), oat (Avena spp.), zebra grass (Miscanthus spp.), Tausch’s goatgrass (Aegilops tauschii), stiff brome (Brachypodium distachyon), cutgrass (Leersia perrieri), and foxtail millet (Setaria italica). synonym: "brown rice (exact)" EXACT [] synonym: "cariopse (exact, Spanish)" EXACT [] synonym: "cariópside (exact, Spanish)" EXACT [] synonym: "caryopse (exact, German)" EXACT [] synonym: "caryopsides (exact)" EXACT [] synonym: "caryopsis (exact)" EXACT [] synonym: "cereal (exact)" EXACT [] synonym: "dehulled grain (exact)" EXACT [] synonym: "dehulled kernel (exact)" EXACT [] synonym: "grain (exact)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "kernel (exact)" EXACT [] synonym: "polished rice (exact)" EXACT [] xref: PO_GIT:648 is_a: PO:0009001 ! fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030108 name: berry fruit namespace: plant_anatomy def: "A fruit (PO:0009001) which at maturity comprises a fleshy endocarp (PO:0009086), fleshy mesocarp (PO:0009087), and fleshy exocarp (PO:0009085)." [] comment: Examples: pepper (Capsicum annuum), papaya (Carica papaya), avocado (Persea americana), may apple (Podophyllum peltatum), date palm (Phoenix dactylifera), tomato (Solanum lycopersicum), potato (Solanum tuberosum), chocolate (Theobroma cacao), blueberry (Vaccinium spp.), and grape (Vitis vinifera). synonym: "bacca (exact)" EXACT [] synonym: "baya (exact, Spanish)" EXACT [] synonym: "beere (exact, German)" EXACT [] synonym: "berry (exact)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "pyrine (narrow)" NARROW [] xref: PO_GIT:652 is_a: PO:0009001 ! fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030109 name: hesperidium fruit namespace: plant_anatomy def: "A berry fruit (PO:0030108) which develops from a superior gynoecium (PO:0009062) and at maturity comprises a thickened exocarp (PO:0009085), thickened mesocarp (PO:0009087), and endocarp (PO:0009086), and has as parts juice sacs (PO:0006013) on a carpel adaxial epidermis (PO:0025618)." [] comment: A hesperidium fruit (PO:0030109) develops from a superior gynoecium (PO:0009062), and therefore is not surrounded by receptacle (PO:0009064) tissue. Examples: orange, grapefruit, lemon, and lime (Citrus spp.). synonym: "citrus fruit (exact)" EXACT [] synonym: "hesperide (exact, German)" EXACT [] synonym: "hesperidio (exact, Spanish)" EXACT [] synonym: "hesperidium (exact)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "panzerbeere (broad, German)" BROAD [] xref: PO_GIT:652 is_a: PO:0030108 ! berry fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030110 name: pome fruit namespace: plant_anatomy def: "A berry fruit (PO:0030108) which develops from an inferior gynoecium (PO:0009062) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and hardened endocarp (PO:0009086) and has as a part a fleshy hypanthium (PO:0009065) which is indistinct from the exocarp (PO:0009085)." [] comment: A pome fruit (PO:0030110) is a specialized type of berry fruit (PO:0030108) which is encapsuled in persistent, accrescent receptacle (PO:0009064) and/or hypanthium (PO:0009065) tissue. Examples: Apple, crab apple, and pear (Malus spp. and Pyrus spp.) synonym: "apfelfrucht (exact, German)" EXACT [] synonym: "indehiscent fruit (broad)" BROAD [] synonym: "kernfrucht (exact, German)" EXACT [] synonym: "kernobst (exact, German)" EXACT [] synonym: "pome (exact)" EXACT [] synonym: "pomo (exact, Spanish)" EXACT [] xref: PO_GIT:652 is_a: PO:0030108 ! berry fruit intersection_of: PO:0030108 ! berry fruit intersection_of: RO:0001000 FOODON:03411599 ! derives from pome fruit plant relationship: RO:0001000 FOODON:03411599 ! derives from pome fruit plant property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030111 name: pepo fruit namespace: plant_anatomy def: "A berry fruit (PO:0030108) which develops from an inferior carpel (PO:0009030) and at maturity comprises a fleshy exocarp (PO:0009085), fleshy mesocarp (PO:0009087), and fleshy endocarp (PO:0009086), and has as a part a hard receptacle (PO:0009064) which surrounds, and is indistinct from, the exocarp (PO:0009085)." [] comment: A pepo fruit (PO:0030111) is specialized type of berry fruit (PO:0030108) which is encapsuled by persistent, accrescent receptacle (PO:0009064) tissue. The rind, or tough outer covering, of pepo fruits comprises receptical tissue and at least the exocarp (PO:0009085) layer of the pericarp (PO:0009084). Examples: pumpkin (Cucurbita pepo), cucumber (Cucumis sativus), and watermelon (Citrullus lanatus) and banana (Musa acuminata). synonym: "indehiscent fruit (broad)" BROAD [] synonym: "kürbisfrucht (exact, German)" EXACT [] synonym: "panzerbeere (broad, German) (broad)" BROAD [] synonym: "pepo (exact)" EXACT [] synonym: "pepónide (exact, Spanish)" EXACT [] xref: PO_GIT:652 is_a: PO:0030108 ! berry fruit property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl [Term] id: PO:0030115 name: raceme inflorescence namespace: plant_anatomy def: "An inflorescence (PO:0009049) with a monopodial growth habit, which at flowering stage (PO:0007616), is composed of pedicellate flowers (PO:0009046) on an indeterminate, first order inflorescence axis (PO:0025104)." [] comment: Examples include mouse-ear cress (Arabidopsis thaliana, Brassicaceae), wild black cherry (Prunus serotina, Rosaceae), and pokeweeds (Phytolacca spp., Phytolaccaceae). synonym: "raceme (exact)" EXACT [] is_a: PO:0009049 ! inflorescence property_value: IAO:0000412 http://purl.obolibrary.org/obo/po.owl created_by: NYBG:Brandon_Sinn creation_date: 2017-04-20T12:29:10Z [Term] id: PR:000000001 name: protein namespace: protein def: "An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA, and any derivatives thereof." [PRO:DAN, PRO:WCB] comment: The definition above excludes protein complexes, which some also consider a protein. Those who wish to refer to a class representing both senses of the word are directed to CHEBI:36080. Note that the definition allows for experimentally-manipulated genes, and allows for artifically-produced derivatives that mimic those found naturally. Proteins (in the sense defined here) that descended from a common ancestor can be classified into families and superfamilies composed of products of evolutionarily-related genes. The domain architecture of a protein is described by the order of its constituent domains. Proteins with the same domains in the same order are defined as homeomorphic [PRO:WCB]. synonym: "native protein" NARROW [IEDB:BP] synonym: "natural protein" EXACT [PRO:DAN] is_a: CHEBI:36080 ! protein intersection_of: PR:000018263 ! amino acid chain intersection_of: has_gene_template SO:0000704 intersection_of: output_of GO:0006412 ! translation [Term] id: PR:000018263 name: amino acid chain namespace: protein def: "An organic amino compound that consists of amino acid residues (unmodified amino-acid residues and/or modified amino-acid residues) linked by peptide bonds or derivatives of such bonds." [PRO:DAN, PRO:JSG] comment: Category=external. synonym: "peptide" NARROW [PRO:DAN] synonym: "polypeptide" NARROW [PRO:DAN] is_a: CHEBI:50047 ! organic amino compound relationship: has_part CHEBI:33708 ! amino-acid residue [Term] id: PR:000029067 name: Homo sapiens protein namespace: protein def: "A protein that is encoded in the genome of Homo sapiens." [PRO:DAN] synonym: "human protein" EXACT PRO-short-label [PRO:DAN] is_a: PR:000036194 ! eukaryotic protein intersection_of: PR:000000001 ! protein intersection_of: only_in_taxon NCBITaxon:9606 ! Homo sapiens relationship: only_in_taxon NCBITaxon:9606 ! Homo sapiens [Term] id: PR:000036194 name: eukaryotic protein namespace: protein def: "A protein that is encoded in the genome of some Eukaryota." [PRO:DAN] synonym: "Eukaryota protein" EXACT [PRO:DAN] is_a: CHEBI:36080 ! protein is_a: PR:000000001 ! protein intersection_of: PR:000000001 ! protein intersection_of: only_in_taxon NCBITaxon:2759 ! Eukaryota relationship: only_in_taxon NCBITaxon:2759 ! Eukaryota [Term] id: RO:0002310 name: exposure event or process def: "A process occurring within or in the vicinity of an organism that exerts some causal influence on the organism via the interaction between an exposure stimulus and an exposure receptor. The exposure stimulus may be a process, material entity or condition (for example, lack of nutrients). The exposure receptor can be an organism, organism population or a part of an organism." [] is_a: BFO:0000015 ! process property_value: http://purl.org/dc/terms/creator "Chris Mungall" xsd:string property_value: IAO:0000112 "An exposure event in which a human is exposed to particulate matter in the air. Here the exposure stimulus/stress is the particulate matter, the receptor is the airways and lungs of the human," xsd:string property_value: IAO:0000112 "An exposure event in which a plant is provided with fertilizer. The exposure receptor is the root system of the plant, the stimulus is the fertilizing chemical, the route is via the soil, possibly mediated by symbotic microbes." xsd:anyURI property_value: IAO:0000116 "This class is intended as a grouping for various domain and species-specific exposure classes. The ExO class http://purl.obolibrary.org/obo/ExO_0000002 'exposure event' assumes that all exposures involve stressors, which limits the applicability of this class to 'positive' exposures, e.g. exposing a plant to beneficial growing conditions." xsd:string property_value: seeAlso https://github.com/oborel/obo-relations/pull/173 xsd:anyURI created_by: cjm creation_date: 2017-06-05T17:55:39Z [Term] id: RO:0002577 name: system def: "A material entity consisting of multiple components that are causally integrated." [] is_a: BFO:0000040 ! material entity property_value: IAO:0000116 "May be replaced by a BFO class, as discussed in http://www.jbiomedsem.com/content/4/1/43" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://www.jbiomedsem.com/content/4/1/43 xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/envo.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl [Term] id: UBERON:0000025 name: tube def: "Any hollow cylindrical anatomical structure containing a lumen through which substances are transported." [] synonym: "anatomical tube" EXACT [] synonym: "duct" NARROW [] is_a: UBERON:0004111 ! anatomical conduit relationship: has_part UBERON:0013522 ! subdivision of tube [Term] id: UBERON:0000055 name: vessel def: "A tubular structure that contains, conveys body fluid, such as blood or lymph." [] is_a: UBERON:0004111 ! anatomical conduit [Term] id: UBERON:0000060 name: anatomical wall def: "Organ component adjacent to an organ cavity and which consists of a maximal aggregate of organ component layers." [] synonym: "organ wall" RELATED [] synonym: "wall" BROAD [] synonym: "wall of organ" EXACT [] is_a: UBERON:0000064 ! organ part relationship: has_part UBERON:0004923 ! organ component layer [Term] id: UBERON:0000061 name: anatomical structure def: "Material anatomical entity that is a single connected structure with inherent 3D shape generated by coordinated expression of the organism's own genome." [] synonym: "biological structure" EXACT [] synonym: "connected biological structure" EXACT [] is_a: UBERON:0000465 ! material anatomical entity [Term] id: UBERON:0000062 name: organ def: "Anatomical structure that performs a specific function or group of functions [WP]." [] synonym: "anatomical unit" RELATED [] synonym: "body organ" RELATED [] synonym: "element" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: part_of UBERON:0000467 ! anatomical system [Term] id: UBERON:0000064 name: organ part def: "A multicellular structure that is a part of an organ." [] synonym: "cardinal organ part" EXACT [] synonym: "regional part of organ" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: part_of UBERON:0000062 ! organ [Term] id: UBERON:0000075 name: subdivision of skeletal system def: "Anatomical cluster consisting of the skeletal elements and articular elements that are part of an individual subdivision of the organism." [] synonym: "skeletal system part" RELATED [] synonym: "skeletal system subdivision" EXACT [] is_a: UBERON:0011216 ! organ system subdivision relationship: has_part UBERON:0004765 ! skeletal element relationship: part_of UBERON:0001434 ! skeletal system [Term] id: UBERON:0000076 name: external ectoderm def: "The surface (external) layer of ectoderm which begins to proliferate shortly after separation from the neuroectoderm." [] synonym: "surface (external) ectoderm" EXACT [] synonym: "surface ectoderm" EXACT [] is_a: UBERON:0000490 ! unilaminar epithelium is_a: UBERON:0005291 ! embryonic tissue relationship: part_of UBERON:0000924 ! ectoderm [Term] id: UBERON:0000173 name: amniotic fluid def: "Amniotic fluid is a bodily fluid consisting of watery liquid surrounding and cushioning a growing fetus within the amnion. It allows the fetus to move freely without the walls of the uterus being too tight against its body. Buoyancy is also provided. The composition of the fluid changes over the course of gestation. Initially, amniotic fluid is similar to maternal plasma, mainly water with electrolytes. As the fetus develops, proteins, carbohydrates, lipids, phospholipids originating from the lungs, fetal cells, and urea are deposited in the fluid." [] synonym: "acqua amnii" RELATED [] synonym: "liquor amnii" RELATED [] is_a: UBERON:0000463 ! organism substance [Term] id: UBERON:0000174 name: excreta def: "A portion of organism substance that is the product of an excretion process that will be eliminated from the body. An excretion process is elimination by an organism of the waste products that arise as a result of metabolic activity." [] synonym: "excreted substance" EXACT [] synonym: "excretion" RELATED [] synonym: "portion of excreted substance" EXACT [] synonym: "waste substance" EXACT [] is_a: UBERON:0000463 ! organism substance [Term] id: UBERON:0000178 name: blood def: "A fluid that is composed of blood plasma and erythrocytes." [] synonym: "portion of blood" EXACT [] synonym: "vertebrate blood" EXACT [] synonym: "whole blood" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000179 ! haemolymphatic fluid relationship: has_part UBERON:0001969 ! blood plasma relationship: part_of UBERON:0002390 ! hematopoietic system relationship: RO:0002202 UBERON:0006596 ! develops from presumptive blood relationship: RO:0002495 UBERON:0006596 ! immediate transformation of presumptive blood [Term] id: UBERON:0000179 name: haemolymphatic fluid def: "Circulating fluid that is part of the hemolymphoid system. Blood, lymph, interstitial fluid or its analogs." [] synonym: "blood or blood analog" RELATED [] synonym: "circulating fluid" RELATED [] is_a: UBERON:0006314 ! bodily fluid intersection_of: UBERON:0000463 ! organism substance intersection_of: part_of UBERON:0002193 ! hemolymphoid system relationship: part_of UBERON:0002193 ! hemolymphoid system [Term] id: UBERON:0000307 name: blastula def: "Organism at the blastula stage - an early stage of embryonic development in animals. It is produced by cleavage of a fertilized ovum and consists of a spherical layer of around 128 cells surrounding a central fluid-filled cavity called the blastocoel. The blastula follows the morula and precedes the gastrula in the developmental sequence." [] synonym: "blastosphere" RELATED [] synonym: "blastula embryo" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000922 ! embryo relationship: RO:0002202 UBERON:0007010 ! develops from cleaving embryo [Term] id: UBERON:0000383 name: musculature of body def: "The subdivision of the musculoskeletal system that consists of all the muscles of the body[VSAO, modified]." [] synonym: "muscle system" EXACT [] synonym: "muscle system of body" EXACT [] synonym: "muscular system" EXACT [] synonym: "musculature system" EXACT [] synonym: "muskelsystem" RELATED [] synonym: "set of all muscles" EXACT [] synonym: "set of muscles of body" EXACT [] synonym: "vertebrate muscular system" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0011216 ! organ system subdivision relationship: has_part UBERON:0001015 ! musculature [Term] id: UBERON:0000456 name: secretion of exocrine gland def: "A portion of organism substance that is produced by exocrine glands." [] synonym: "bodily secretion" EXACT [] synonym: "exocrine gland fluid" RELATED [] synonym: "exocrine gland fluid or secretion" RELATED [] synonym: "exocrine gland fluid/secretion" EXACT [] synonym: "exocrine gland secretion" RELATED [] synonym: "external secretion" RELATED [] synonym: "secreted substance" EXACT [] synonym: "secretion" BROAD [] is_a: UBERON:0000463 ! organism substance [Term] id: UBERON:0000463 name: organism substance def: "Material anatomical entity in a gaseous, liquid, semisolid or solid state; produced by anatomical structures or derived from inhaled and ingested substances that have been modified by anatomical structures as they pass through the body." [] synonym: "body fluid or substance" EXACT [] synonym: "body substance" EXACT [] synonym: "organism substance" EXACT [] synonym: "portion of body substance" EXACT [] synonym: "portion of organism substance" EXACT [] is_a: FOODON:03420122 ! nonmeat part of animal is_a: UBERON:0000465 ! material anatomical entity relationship: part_of UBERON:0000468 ! multicellular organism relationship: RO:0003001 OBI:0100026 ! produced by organism [Term] id: UBERON:0000464 name: anatomical space def: "Non-material anatomical entity of three dimensions, that is generated by morphogenetic or other physiologic processes; is surrounded by one or more anatomical structures; contains one or more organism substances or anatomical structures." [] synonym: "anatomical spaces" RELATED [] synonym: "lumen" BROAD [] synonym: "lumen space" EXACT [] synonym: "space" BROAD [] is_a: UBERON:0000466 ! immaterial anatomical entity [Term] id: UBERON:0000465 name: material anatomical entity def: "Anatomical entity that has mass." [] is_a: BFO:0000040 ! material entity is_a: UBERON:0001062 ! anatomical entity [Term] id: UBERON:0000466 name: immaterial anatomical entity def: "Anatomical entity that has no mass." [] synonym: "immaterial physical anatomical entity" EXACT [] is_a: UBERON:0001062 ! anatomical entity [Term] id: UBERON:0000467 name: anatomical system def: "Multicellular, connected anatomical structure that has multiple organs as parts and whose parts work together to achieve some shared function." [] synonym: "anatomical systems" RELATED [] synonym: "body system" EXACT [] synonym: "connected anatomical system" EXACT [] synonym: "organ system" EXACT [] synonym: "system" BROAD [] is_a: UBERON:0000061 ! anatomical structure relationship: has_part UBERON:0000062 ! organ relationship: part_of UBERON:0000468 ! multicellular organism [Term] id: UBERON:0000468 name: multicellular organism def: "Anatomical structure that is an individual member of a species and consists of more than one cell." [] synonym: "body" RELATED [] synonym: "Koerper" RELATED [] synonym: "multi-cellular organism" EXACT [] synonym: "organism" BROAD [] synonym: "whole body" RELATED [] synonym: "whole organism" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0000475 name: organism subdivision def: "Anatomical structure which is a subdivision of a whole organism, consisting of components of multiple anatomical systems, largely surrounded by a contiguous region of integument." [] synonym: "anatomic region" EXACT [] synonym: "body part" RELATED [] synonym: "body region" RELATED [] synonym: "cardinal body part" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: part_of UBERON:0000468 ! multicellular organism [Term] id: UBERON:0000476 name: acellular anatomical structure def: "Anatomical structure that consists of cell parts and cell substances and together does not constitute a cell or a tissue." [] synonym: "acellular anatomical structures" RELATED [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0000477 name: anatomical cluster def: "Anatomical group that has its parts adjacent to one another." [] is_a: UBERON:0034923 ! disconnected anatomical group [Term] id: UBERON:0000478 name: extraembryonic structure def: "A multicellular anatomical structure that is associated with an embryo and derived from the zygote from which it develops, but which does not contribute to the embryo proper or to structures that are part of the same organism after embryogenesis." [] synonym: "extra-embryonic structure" EXACT [] synonym: "extraembryonic structures" RELATED [] synonym: "extraembryonic tissue" RELATED [] is_a: UBERON:0005423 ! developing anatomical structure intersection_of: UBERON:0005423 ! developing anatomical structure intersection_of: part_of UBERON:0016887 ! entire extraembryonic component relationship: part_of UBERON:0016887 ! entire extraembryonic component [Term] id: UBERON:0000479 name: tissue def: "Multicellular anatomical structure that consists of many cells of one or a few types, arranged in an extracellular matrix such that their long-range organisation is at least partly a repetition of their short-range organisation." [] synonym: "portion of tissue" EXACT [] synonym: "simple tissue" NARROW [] synonym: "tissue portion" EXACT [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: part_of UBERON:0000468 ! multicellular organism [Term] id: UBERON:0000481 name: multi-tissue structure def: "Anatomical structure that has as its parts two or more portions of tissue of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona-fide boundaries from other distinct structural units of different types." [] synonym: "multi-tissue structures" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: has_part UBERON:0000479 ! tissue [Term] id: UBERON:0000483 name: epithelium def: "Portion of tissue, that consists of one or more layers of epithelial cells connected to each other by cell junctions and which is underlain by a basal lamina. Examples: simple squamous epithelium, glandular cuboidal epithelium, transitional epithelium, myoepithelium[CARO]." [] synonym: "epithelial tissue" EXACT [] synonym: "portion of epithelium" EXACT [] is_a: UBERON:0000479 ! tissue union_of: UBERON:0000486 ! multilaminar epithelium union_of: UBERON:0000490 ! unilaminar epithelium relationship: has_part UBERON:0005769 ! basement membrane of epithelium [Term] id: UBERON:0000486 name: multilaminar epithelium def: "Epithelium which consists of more than one layer of epithelial cells that may or may not be in contact with a basement membrane. Examples: keratinized stratified squamous epithelium, ciliated stratified columnar epithelium.[FMA]." [] synonym: "laminated epithelium" RELATED [] synonym: "stratified epithelium" EXACT [] is_a: UBERON:0000483 ! epithelium [Term] id: UBERON:0000490 name: unilaminar epithelium def: "Epithelium which consists of a single layer of epithelial cells. Examples: endothelium, mesothelium, glandular squamous epithelium.[FMA]." [] synonym: "simple epithelium" EXACT [] synonym: "unilaminar epithelia" RELATED [] is_a: UBERON:0000483 ! epithelium [Term] id: UBERON:0000915 name: thoracic segment of trunk def: "Subdivision of trunk that lies between the head and the abdomen." [] synonym: "anterior subdivision of trunk" RELATED [] synonym: "thorax" EXACT [] synonym: "upper body" RELATED [] synonym: "upper trunk" RELATED [] is_a: UBERON:0009569 ! subdivision of trunk is_a: UBERON:0011676 ! subdivision of organism along main body axis relationship: has_part UBERON:0014477 ! thoracic skeleton [Term] id: UBERON:0000922 name: embryo def: "Anatomical entity that comprises the organism in the early stages of growth and differentiation that are characterized by cleavage, the laying down of fundamental tissues, and the formation of primitive organs and organ systems. For example, for mammals, the process would begin with zygote formation and end with birth. For insects, the process would begin at zygote formation and end with larval hatching. For plant zygotic embryos, this would be from zygote formation to the end of seed dormancy. For plant vegetative embryos, this would be from the initial determination of the cell or group of cells to form an embryo until the point when the embryo becomes independent of the parent plant." [] synonym: "developing organism" RELATED [] synonym: "developmental tissue" RELATED [] synonym: "embryonic organism" EXACT [] is_a: UBERON:0000468 ! multicellular organism [Term] id: UBERON:0000923 name: germ layer def: "A layer of cells produced during the process of gastrulation during the early development of the animal embryo, which is distinct from other such layers of cells, as an early step of cell differentiation. The three types of germ layers are the endoderm, ectoderm, and mesoderm." [] synonym: "embryonic germ layer" RELATED [] synonym: "embryonic germ layers" RELATED [] synonym: "embryonic tissue" BROAD [] synonym: "germinal layer" EXACT [] synonym: "primary germ layer" NARROW [] is_a: UBERON:0010316 ! germ layer / neural crest [Term] id: UBERON:0000924 name: ectoderm def: "Primary germ layer that is the outer of the embryo's three germ layers and gives rise to epidermis and neural tissue." [] synonym: "embryonic ectoderm" EXACT [] is_a: UBERON:0000923 ! germ layer relationship: RO:0002202 UBERON:0006601 ! develops from presumptive ectoderm relationship: RO:0002495 UBERON:0006601 ! immediate transformation of presumptive ectoderm [Term] id: UBERON:0000926 name: mesoderm def: "The middle germ layer of the embryo, between the endoderm and ectoderm." [] synonym: "embryonic mesoderm" RELATED [] synonym: "entire mesoderm" RELATED [] synonym: "mesodermal mantle" RELATED [] is_a: UBERON:0000923 ! germ layer relationship: RO:0002202 UBERON:0006603 ! develops from presumptive mesoderm relationship: RO:0002495 UBERON:0006603 ! immediate transformation of presumptive mesoderm [Term] id: UBERON:0000948 name: heart def: "A myogenic muscular circulatory organ found in the vertebrate cardiovascular system composed of chambers of cardiac muscle. It is the primary circulatory organ." [] synonym: "branchial heart" NARROW [] synonym: "cardium" RELATED [] synonym: "chambered heart" EXACT [] synonym: "vertebrate heart" EXACT [] is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005181 ! thoracic segment organ is_a: UBERON:0007100 ! primary circulatory organ is_a: UBERON:0010314 ! structure with developmental contribution from neural crest intersection_of: UBERON:0007100 ! primary circulatory organ intersection_of: has_part UBERON:0004151 ! cardiac chamber relationship: has_part UBERON:0004151 ! cardiac chamber relationship: part_of UBERON:0015410 ! heart plus pericardium relationship: RO:0002202 UBERON:0004141 ! develops from heart tube [Term] id: UBERON:0000982 name: skeletal joint def: "Anatomical cluster that consists of two or more adjacent skeletal structures, which may be interconnected by various types of tissue[VSAO]." [] synonym: "articular joint" RELATED [] synonym: "articulation" BROAD [] synonym: "joint" BROAD [] synonym: "joints" RELATED [] is_a: UBERON:0004905 ! articulation union_of: UBERON:0002217 ! synovial joint union_of: UBERON:0011134 ! nonsynovial joint relationship: RO:0002176 UBERON:0004765 ! connects skeletal element [Term] id: UBERON:0001009 name: circulatory system def: "Organ system that passes nutrients (such as amino acids and electrolytes), gases, hormones, blood cells, etc. to and from cells in the body to help fight diseases and help stabilize body temperature and pH to maintain homeostasis[WP]." [] synonym: "systema cardiovasculare" RELATED [] is_a: UBERON:0000467 ! anatomical system [Term] id: UBERON:0001015 name: musculature def: "A subdivision of the muscular system corresponding to a subdisivision of an organism." [] synonym: "muscle group" EXACT [] synonym: "muscle system" RELATED [] synonym: "muscles" RELATED [] synonym: "muscles set" EXACT [] synonym: "musculature" EXACT [] synonym: "musculature system" RELATED [] synonym: "musculi" EXACT [] synonym: "set of muscles" EXACT [] synonym: "set of skeletal muscles" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0011216 ! organ system subdivision relationship: has_part UBERON:0001630 ! muscle organ relationship: part_of UBERON:0000383 ! musculature of body [Term] id: UBERON:0001048 name: primordium def: "Primordia are populations of contiguous cells that are morphologically distinct and already correspond in extent to a later organ/tissue[FBbt, Hartenstein, V. (2004)]." [] synonym: "bud" RELATED [] synonym: "future organ" RELATED [] synonym: "placode" RELATED [] synonym: "primordia" RELATED [] synonym: "rudiment" RELATED [] is_a: UBERON:0005423 ! developing anatomical structure relationship: part_of UBERON:0000468 ! multicellular organism [Term] id: UBERON:0001062 name: anatomical entity namespace: uberon def: "Biological entity that is either an individual member of a biological species or constitutes the structural organization of an individual member of a biological species." [FMA:62955, http://orcid.org/0000-0001-9114-8737] subset: upper_level xref: AAO:0010841 xref: AEO:0000000 xref: BILA:0000000 xref: BIRNLEX:6 xref: CARO:0000000 xref: EHDAA2:0002229 xref: FBbt:10000000 xref: FMA:62955 xref: HAO:0000000 xref: http://linkedlifedata.com/resource/umls/id/C1515976 xref: MA:0000001 xref: NCIT:C12219 xref: TAO:0100000 xref: TGMA:0001822 xref: UMLS:C1515976 {source="ncithesaurus:Anatomic_Structure_System_or_Substance"} xref: WBbt:0000100 xref: XAO:0000000 xref: ZFA:0100000 is_a: BFO:0000004 ! independent continuant [Term] id: UBERON:0001089 name: sweat def: "Secretion produced by a sweat gland." [] synonym: "skin exudate" RELATED [] is_a: UBERON:0000456 ! secretion of exocrine gland is_a: UBERON:0006314 ! bodily fluid [Term] id: UBERON:0001434 name: skeletal system def: "Anatomical system that is a multi-element, multi-tissue anatomical cluster that consists of the skeleton and the articular system." [] synonym: "set of all bones and joints" NARROW [] synonym: "skeleton system" EXACT [] synonym: "Skelettsystem" RELATED [] is_a: UBERON:0011216 ! organ system subdivision intersection_of: UBERON:0011216 ! organ system subdivision intersection_of: has_part UBERON:0004288 ! skeleton intersection_of: has_part UBERON:0004770 ! articular system relationship: has_part UBERON:0004288 ! skeleton relationship: has_part UBERON:0004770 ! articular system relationship: part_of UBERON:0002204 ! musculoskeletal system [Term] id: UBERON:0001630 name: muscle organ def: "Organ consisting of a tissue made up of various elongated cells that are specialized to contract and thus to produce movement and mechanical work[GO]." [] synonym: "muscle" BROAD [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000062 ! organ is_a: UBERON:0005090 ! muscle structure relationship: has_part UBERON:0002385 ! muscle tissue relationship: part_of UBERON:0001015 ! musculature [Term] id: UBERON:0001911 name: mammary gland def: "A specialized accessory gland of the skin of mammals that secretes milk. The gland is typically only developed in females, and regresses in males." [] synonym: "glandula mammaria" EXACT [] synonym: "lactiferous gland" EXACT [] is_a: FOODON:03420127 ! animal body or body part property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0001913 name: milk def: "An emulsion of fat globules within a fluid that is secreted by the mammary gland during lactation." [] comment: LanguaL curation note: See scope note for *MILK OR MILK COMPONENT*. for lowfat milk use *FAT PARTIALLY REMOVED*; for skim milk, use *FAT FULLY REMOVED* (both found in D3. TREATMENT APPLIED). synonym: "mammal milk" EXACT [] synonym: "mammary gland milk" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0235 is_a: FOODON:03315150 ! mammalian milk product is_a: UBERON:0006314 ! bodily fluid relationship: RO:0003001 UBERON:0001911 ! produced by mammary gland property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0001969 name: blood plasma def: "The liquid component of blood, in which erythrocytes are suspended." [] synonym: "blood plasm" EXACT [] synonym: "plasma" BROAD [] synonym: "portion of blood plasma" EXACT [] synonym: "portion of plasma" BROAD [] is_a: UBERON:0000179 ! haemolymphatic fluid relationship: part_of UBERON:0000178 ! blood [Term] id: UBERON:0001970 name: bile def: "Vital aqueous secretion of the liver that is formed by hepatocytes and modified down stream by absorptive and secretory properties of the bile duct epithelium." [] synonym: "fel" RELATED [] synonym: "gall" RELATED [] is_a: UBERON:0000456 ! secretion of exocrine gland is_a: UBERON:0006314 ! bodily fluid [Term] id: UBERON:0001981 name: blood vessel def: "A vessel through which blood circulates in the body." [] synonym: "region of vascular tree organ" EXACT [] synonym: "vas sanguineum" RELATED [] synonym: "vascular element" BROAD [] synonym: "vascular tree organ region" EXACT [] is_a: UBERON:0000055 ! vessel is_a: UBERON:0004120 ! mesoderm-derived structure relationship: has_part UBERON:0007500 ! epithelial tube open at both ends relationship: part_of UBERON:0004537 ! blood vasculature relationship: RO:0002202 UBERON:0004872 ! develops from splanchnic layer of lateral plate mesoderm relationship: RO:0002202 UBERON:0006965 ! develops from vascular cord [Term] id: UBERON:0001988 name: feces def: "Portion of semisolid bodily waste discharged through the anus[MW,modified]." [] synonym: "cow dung" NARROW [] synonym: "cow pat" NARROW [] synonym: "droppings" RELATED [] synonym: "dung" NARROW [] synonym: "excrement" RELATED [] synonym: "excreta" BROAD [] synonym: "faeces" EXACT [] synonym: "fecal material" EXACT [] synonym: "fecal matter" EXACT [] synonym: "fewmet" NARROW [] synonym: "frass" NARROW [] synonym: "guano" NARROW [] synonym: "ordure" RELATED [] synonym: "piece of shit" EXACT [] synonym: "portion of dung" NARROW [] synonym: "portion of excrement" EXACT [] synonym: "portion of faeces" EXACT [] synonym: "portion of fecal material" EXACT [] synonym: "portion of fecal matter" EXACT [] synonym: "portion of feces" EXACT [] synonym: "portion of guano" NARROW [] synonym: "portion of scat" NARROW [] synonym: "portionem cacas" EXACT [] synonym: "scat" NARROW [] synonym: "spoor" RELATED [] synonym: "spraint" NARROW [] synonym: "stool" EXACT [] is_a: UBERON:0000174 ! excreta [Term] id: UBERON:0002049 name: vasculature def: "An interconnected tubular multi-tissue structure contains fluid that is actively transported around the organism[ZFA]. Examples: vasculature of lung, vasculature of face." [] synonym: "vascular network" EXACT [] is_a: UBERON:0000477 ! anatomical cluster relationship: has_part UBERON:0000055 ! vessel relationship: has_part UBERON:0000179 ! haemolymphatic fluid relationship: part_of UBERON:0007798 ! vascular system [Term] id: UBERON:0002050 name: embryonic structure def: "Anatomical structure that is part of an embryo." [] synonym: "developing embryonic structure" EXACT [] synonym: "developing structure" RELATED [] synonym: "embryonale Struktur" RELATED [] synonym: "embryonic anatomical structure" EXACT [] synonym: "embryonic structures" RELATED [] is_a: UBERON:0005423 ! developing anatomical structure intersection_of: UBERON:0005423 ! developing anatomical structure intersection_of: part_of UBERON:0000922 ! embryo relationship: part_of UBERON:0000922 ! embryo [Term] id: UBERON:0002075 name: viscus def: "An organ that is located within the body cavity (or in its extension, in the scrotum); it consists of organ parts that are embryologically derived from endoderm, splanchnic mesoderm or intermediate mesoderm; together with other organs, the viscus constitutes the respiratory, gastrointestinal, urinary, reproductive and immune systems, or is the central organ of the cardiovascular system. Examples: heart, lung, esophagus, kidney, ovary, spleen." [] synonym: "splanchnic tissue" RELATED [] synonym: "viscera" RELATED [] synonym: "visceral organ" EXACT [] synonym: "visceral organ system" EXACT [] synonym: "visceral tissue" RELATED [] is_a: UBERON:0005177 ! trunk region element [Term] id: UBERON:0002090 name: postcranial axial skeleton def: "The postcranial subdivision of skeleton structural components forming the long axis of the vertebrate body; in Danio, consisting of the notochord, vertebrae, ribs, supraneurals, intermuscular bones, and unpaired median fins; in human consists of the bones of the vertebral column, the thoracic cage and the pelvis[ZFA+FMA]." [] synonym: "axial skeleton" BROAD [] synonym: "post-cranial axial skeleton" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0010912 ! subdivision of skeleton relationship: part_of UBERON:0005944 ! axial skeleton plus cranial skeleton relationship: part_of UBERON:0011138 ! postcranial axial skeletal system relationship: RO:0002202 UBERON:0003089 ! develops from sclerotome [Term] id: UBERON:0002100 name: trunk def: "Organism subdivision which is the part of the body posterior to the cervical region (or head, when cervical region not present) and anterior to the caudal region. Includes the sacrum when present." [] synonym: "Rumpf" RELATED [] synonym: "thoracolumbar region" EXACT [] synonym: "torso" EXACT [] synonym: "trunk region" EXACT [] is_a: UBERON:0011676 ! subdivision of organism along main body axis relationship: part_of UBERON:0013702 ! body proper [Term] id: UBERON:0002193 name: hemolymphoid system def: "Anatomical cluster consisting of the hematopoietic system and the lymphoid system, or its analogs." [] synonym: "haemolymphoid system" RELATED [] synonym: "hematolymphoid system" EXACT [] synonym: "lymphomyeloid complex" EXACT [] is_a: UBERON:0000467 ! anatomical system [Term] id: UBERON:0002201 name: vasculature of trunk def: "A vasculature that is part of a trunk [Automatically generated definition]." [] synonym: "torso vascular network" EXACT [] synonym: "torso vasculature" EXACT [] synonym: "trunk vascular network" EXACT [] synonym: "trunk vasculature" EXACT [] synonym: "vascular network of torso" EXACT [] synonym: "vascular network of trunk" EXACT [] synonym: "vasculature of torso" EXACT [] is_a: UBERON:0002049 ! vasculature intersection_of: UBERON:0002049 ! vasculature intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0002204 name: musculoskeletal system def: "Anatomical system that consists of the muscular and skeletal systems." [] synonym: "musculo-skeletal system" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000467 ! anatomical system relationship: has_part UBERON:0000383 ! musculature of body relationship: has_part UBERON:0001434 ! skeletal system [Term] id: UBERON:0002217 name: synovial joint def: "Joint in which the articulating bones or cartilages are connected by an articular capsule which encloses a synovial membrane and a synovial cavity. Examples: Temporomandibular joint, knee joint.[FMA]." [] synonym: "articulatio synoviale" EXACT [] synonym: "diarthrodial joints" RELATED [] synonym: "diarthroses" EXACT [] synonym: "diarthrosis" EXACT [] synonym: "diarthrosis joint" EXACT [] is_a: UBERON:0000982 ! skeletal joint [Term] id: UBERON:0002297 name: cerumen def: "The yellow or brown waxy secretions produced by vestigial apocrine sweat glands in the external ear canal[MESH]." [] synonym: "ear wax" EXACT [] synonym: "earwax" EXACT [] is_a: UBERON:0001089 ! sweat [Term] id: UBERON:0002329 name: somite def: "Somites are spheres of epithelial cells that form sequentially along the anterior-posterior axis of the embryo through mesenchymal to epithelial transition of the presomitic mesoderm." [] synonym: "epimere" RELATED [] synonym: "epimere mesoderm" RELATED [] synonym: "epithelial somite" RELATED [] synonym: "mesodermal cluster" BROAD [] synonym: "somites" RELATED [] synonym: "somitic mesoderm" RELATED [] synonym: "somitus" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0005423 ! developing anatomical structure is_a: UBERON:0007503 ! epithelial vesicle relationship: RO:0002202 UBERON:0003059 ! develops from presomitic mesoderm [Term] id: UBERON:0002385 name: muscle tissue def: "Muscle tissue is a contractile tissue made up of actin and myosin fibers[GO]." [] synonym: "muscular tissue" EXACT [] synonym: "portion of muscle tissue" EXACT [] synonym: "textus muscularis" EXACT [] is_a: UBERON:0000479 ! tissue is_a: UBERON:0004120 ! mesoderm-derived structure relationship: part_of UBERON:0001015 ! musculature [Term] id: UBERON:0002390 name: hematopoietic system def: "Anatomical system that is involved in the production of hematopoietic cells." [] synonym: "Blutbildungssystem" RELATED [] synonym: "haematological system" EXACT [] synonym: "haematopoietic system" RELATED [] synonym: "haemopoietic system" EXACT [] synonym: "hematological system" RELATED [] synonym: "hematolymphoid system" RELATED [] synonym: "hemopoietic system" RELATED [] synonym: "organa haemopoietica" EXACT [] is_a: UBERON:0000467 ! anatomical system is_a: UBERON:0004120 ! mesoderm-derived structure relationship: part_of UBERON:0002193 ! hemolymphoid system relationship: RO:0002202 UBERON:0003061 ! develops from blood island [Term] id: UBERON:0002416 name: integumental system def: "Connected anatomical system that forms a barrier between an animal and its environment. In vertebrates, the integumental system consists of the epidermis, dermis plus associated glands and adnexa such as hair and scales. In invertebrates, the integumental system may include cuticle." [] synonym: "body surface" RELATED [] synonym: "dermal system" RELATED [] synonym: "external covering of organism" RELATED [] synonym: "integumentary system" EXACT [] synonym: "integumentum commune" RELATED [] synonym: "organism surface" RELATED [] synonym: "surface" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000467 ! anatomical system relationship: has_part UBERON:0007376 ! outer epithelium [Term] id: UBERON:0002532 name: epiblast (generic) def: "In amniote animal embryology, the epiblast is a tissue type derived either from the inner cell mass in mammals or the blastodisc in birds and reptiles. It lies above the hypoblast. In mammalian embryogenesis, the columnar cells of the epiblast are adjacent to the trophoblast, while the cuboidal cells of the hypoblast are closer to the blastocoele. The epiblast, whilst referred to as the primary ectoderm, differentiates to form all three layers of the trilaminar germ disc in a process called gastrulation[WP]. The outer of the two layers of the blastoderm that form during gastrulation, corresponding to primitive ectoderm during gastrulation and to the definitive ectoderm after gastrulation[ZFA]." [] synonym: "blastocyst" RELATED [] synonym: "ectoblast" RELATED [] synonym: "epiblast" EXACT [] synonym: "epiblastus" RELATED [] synonym: "primitive ectoderm" RELATED [] is_a: UBERON:0002050 ! embryonic structure [Term] id: UBERON:0003059 name: presomitic mesoderm def: "Unsegmented field of paraxial mesoderm present posterior to the most recently formed somite pair, from which somites will form." [] synonym: "presumptive somite mesoderm" RELATED [] synonym: "PSM" RELATED [] synonym: "segmental plate" EXACT [] synonym: "somitogenic mesoderm" RELATED [] synonym: "somitomeric mesoderm" RELATED [] synonym: "unsegmented mesenchyme" RELATED [] synonym: "unsegmented paraxial mesoderm" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0006598 ! presumptive structure relationship: part_of UBERON:0003077 ! paraxial mesoderm relationship: RO:0002202 UBERON:0007282 ! develops from presumptive segmental plate relationship: RO:0002495 UBERON:0007282 ! immediate transformation of presumptive segmental plate [Term] id: UBERON:0003061 name: blood island def: "Blood islands are structures in the developing embryo which lead to many different parts of the circulatory system. They primarily derive from plexuses formed from angioblasts. Within them, vacuoles appear through liquefaction of the central part of the syncytium into plasma. The lumen of the blood vessels thus formed is probably intracellular. The flattened cells at the periphery form the endothelium. The nucleated red blood corpuscles develop either from small masses of the original angioblast left attached to the inner wall of the lumen or directly from the flat endothelial cells. In either case the syncytial mass thus formed projects from and is attached to the wall of the vessel. Such a mass is known as a blood island and hemoglobin gradually accumulates within it. Later the cells on the surface round up, giving the mass a mulberry-like appearance. Then the red blood cells break loose and are carried away in the plasma. Such free blood cells continue to divide. Blood islands have been seen in the area vasculosa in the omphalomesenteric vein and arteries, and in the dorsal aorta[WP, unvetted]." [] synonym: "blood islands" EXACT [] synonym: "caudal hematopoietic tissue" RELATED [] synonym: "posterior blood island" RELATED [] synonym: "posterior ICM" RELATED [] synonym: "VBI" RELATED [] synonym: "ventral blood island" RELATED [] synonym: "ventral lateral plate mesoderm" BROAD [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0006598 ! presumptive structure relationship: RO:0002202 UBERON:0003081 ! develops from lateral plate mesoderm [Term] id: UBERON:0003077 name: paraxial mesoderm def: "The paraxial mesoderm is the mesoderm located bilaterally adjacent to the notochord and neural tube[GO]." [] synonym: "mesoderma paraxiale" RELATED [] synonym: "paraxial mesenchyme" EXACT [] synonym: "somitic mesoderm" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0007524 ! dense mesenchyme tissue is_a: UBERON:0015212 ! lateral structure relationship: RO:0002202 UBERON:0007285 ! develops from presumptive paraxial mesoderm relationship: RO:0002495 UBERON:0007285 ! immediate transformation of presumptive paraxial mesoderm [Term] id: UBERON:0003081 name: lateral plate mesoderm def: "Portion of the middle of the three primary germ layers of the embryo that resides on the periphery of the embryo, is continuous with the extra-embryonic mesoderm, splits into two layers enclosing the intra-embryonic coelom, and gives rise to body wall structures[MP]." [] synonym: "lateral mesoderm" EXACT [] synonym: "lateral plate" RELATED [] synonym: "lateral plate mesenchyme" RELATED [] synonym: "LPM" EXACT [] synonym: "mesoderma laminae lateralis" RELATED [] is_a: UBERON:0002050 ! embryonic structure is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0007524 ! dense mesenchyme tissue relationship: part_of UBERON:0000926 ! mesoderm [Term] id: UBERON:0003084 name: heart primordium def: "Bilateral groups of cells consisting of three rows: one row of endocardial precursors medially and two rows of myocardical precursors laterally. The two populations fuse at the midline to form the heart rudiment or cone." [] synonym: "cardiac field" RELATED [] synonym: "fused heart primordium" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0001048 ! primordium relationship: part_of UBERON:0004535 ! cardiovascular system relationship: RO:0002202 UBERON:0003081 ! develops from lateral plate mesoderm relationship: RO:0002202 UBERON:0004140 ! develops from primary heart field relationship: RO:0002202 UBERON:0007005 ! develops from cardiogenic splanchnic mesoderm [Term] id: UBERON:0003089 name: sclerotome def: "Ventral somitic compartment that is a precursor of the axial skeleton[XAO]. Sclerotomes eventually differentiate into the vertebrae and most of the skull. The caudal (posterior) half of one sclerotome fuses with the rostral (anterior) half of the adjacent one to form each vertebra. From their initial location within the somite, the sclerotome cells migrate medially towards the notochord. These cells meet the sclerotome cells from the other side to form the vertebral body. From this vertebral body, sclerotome cells move dorsally and surround the developing spinal cord, forming the vertebral arch[WP]." [] synonym: "sclerotomes" EXACT [] synonym: "sclerotomus" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0005856 ! developing mesenchymal condensation is_a: UBERON:0007530 ! migrating mesenchyme population relationship: RO:0002202 UBERON:0002329 ! develops from somite [Term] id: UBERON:0003100 name: female organism def: "Gonochoristic organism that can produce female gametes." [] is_a: UBERON:0000468 ! multicellular organism property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0003102 name: surface structure def: "Anatomical structure that overlaps the outer epithelial layer and is adjacent to the space surrounding the organism." [] synonym: "anatomical surface feature" EXACT [] synonym: "surface feature" RELATED [] synonym: "surface region" RELATED [] synonym: "surface structures" RELATED [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0003103 name: compound organ def: "Anatomical structure that has as its parts two or more multi-tissue structures of at least two different types and which through specific morphogenetic processes forms a single distinct structural unit demarcated by bona fide boundaries from other distinct anatomical structures of different types." [] synonym: "organ" RELATED [] is_a: UBERON:0000062 ! organ [Term] id: UBERON:0003104 name: mesenchyme def: "Portion of tissue composed of mesenchymal cells (motile cells that develop from epthelia via an epithelial to mesenchymal transition) and surrounding extracellular material. Mesenchyme has different embryological origins in different metazoan taxa - in many invertebrates it derives in whole or part from ectoderm. In vertebrates it derives largely from mesoderm, and sometimes the terms are used interchangeably, e.g. lateral plate mesoderm/mesenchyme." [] synonym: "mesenchyma" RELATED [] synonym: "mesenchymal tissue" EXACT [] synonym: "mesenchyme tissue" EXACT [] synonym: "portion of mesenchymal tissue" EXACT [] synonym: "portion of mesenchyme tissue" EXACT [] is_a: UBERON:0000479 ! tissue [Term] id: UBERON:0003304 name: mesoderm blood island def: "A blood island that is part of a mesoderm." [] synonym: "mesenchyme blood island" RELATED [] synonym: "mesoderm blood islands" EXACT [] is_a: UBERON:0003061 ! blood island is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0007503 ! epithelial vesicle is_a: UBERON:0012275 ! meso-epithelium intersection_of: UBERON:0003061 ! blood island intersection_of: part_of UBERON:0000926 ! mesoderm relationship: part_of UBERON:0000926 ! mesoderm relationship: part_of UBERON:0007798 ! vascular system [Term] id: UBERON:0003498 name: heart blood vessel def: "A blood vessel that is part of a heart [Automatically generated definition]." [] synonym: "blood vessel of heart" EXACT [] synonym: "cardiac blood vessel" RELATED [] is_a: UBERON:0003834 ! thoracic segment blood vessel is_a: UBERON:0005985 ! coronary vessel intersection_of: UBERON:0001981 ! blood vessel intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0018674 ! heart vasculature [Term] id: UBERON:0003513 name: trunk blood vessel def: "A blood vessel that is part of a trunk [Automatically generated definition]." [] synonym: "blood vessel of torso" EXACT [] synonym: "blood vessel of trunk" EXACT [] synonym: "torso blood vessel" EXACT [] is_a: UBERON:0001981 ! blood vessel intersection_of: UBERON:0001981 ! blood vessel intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0003834 name: thoracic segment blood vessel def: "A blood vessel that is part of a thorax [Automatically generated definition]." [] synonym: "blood vessel of thorax" EXACT [] synonym: "thorax blood vessel" EXACT [] synonym: "upper body blood vessel" RELATED [] is_a: UBERON:0003513 ! trunk blood vessel intersection_of: UBERON:0001981 ! blood vessel intersection_of: part_of UBERON:0000915 ! thoracic segment of trunk relationship: part_of UBERON:0000915 ! thoracic segment of trunk [Term] id: UBERON:0003914 name: epithelial tube def: "Epithelial tubes transport gases, liquids and cells from one site to another and form the basic structure of many organs and tissues, with tube shape and organization varying from the single-celled excretory organ in Caenorhabditis elegans to the branching trees of the mammalian kidney and insect tracheal system." [] synonym: "epithelial or endothelial tube" EXACT [] is_a: UBERON:0000025 ! tube is_a: UBERON:0000483 ! epithelium [Term] id: UBERON:0004111 name: anatomical conduit def: "Any tube, opening or passage that connects two distinct anatomical spaces." [] synonym: "foramen" NARROW [] synonym: "foramina" NARROW [] synonym: "opening" RELATED [] synonym: "ostia" RELATED [] synonym: "ostium" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: has_part UBERON:0013686 ! anatomical conduit space relationship: RO:0002176 UBERON:0000464 {cardinality="2"} ! connects anatomical space [Term] id: UBERON:0004120 name: mesoderm-derived structure def: "An anatomical structure that develops (entirely or partially) from the mesoderm." [] synonym: "mesodermal derivative" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000061 ! anatomical structure intersection_of: UBERON:0000061 ! anatomical structure intersection_of: RO:0002202 UBERON:0000926 ! develops from mesoderm relationship: RO:0002202 UBERON:0000926 ! develops from mesoderm [Term] id: UBERON:0004121 name: ectoderm-derived structure def: "An anatomical structure that develops (entirely or partially) from the ectoderm." [] synonym: "ectodermal deriviative" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000061 ! anatomical structure intersection_of: UBERON:0000061 ! anatomical structure intersection_of: RO:0002202 UBERON:0000924 ! develops from ectoderm relationship: RO:0002202 UBERON:0000924 ! develops from ectoderm [Term] id: UBERON:0004139 name: cardiogenic plate def: "The first recognizable structure derived from the heart field." [] synonym: "cardiac crescent" RELATED [] synonym: "cardiogenic crescent" RELATED [] synonym: "heart rudiment" RELATED [] synonym: "myocardial plate" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0002050 ! embryonic structure relationship: RO:0002202 UBERON:0003084 ! develops from heart primordium [Term] id: UBERON:0004140 name: primary heart field def: "A specific region of the lateral mesoderm that will form the primary beating heart tube. In mammals the primary heart field gives rise to the left ventricle." [] synonym: "FHF" RELATED [] synonym: "first heart field" EXACT [] synonym: "heart field" RELATED [] synonym: "PHF" RELATED [] synonym: "primary heart field" EXACT [] is_a: UBERON:0002050 ! embryonic structure is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0007688 ! anlage relationship: part_of UBERON:0003081 ! lateral plate mesoderm relationship: part_of UBERON:0036146 ! cardiopharyngeal field [Term] id: UBERON:0004141 name: heart tube def: "An epithelial tube that will give rise to the mature heart." [] synonym: "embryonic heart tube" EXACT [] synonym: "endocardial heart tube" EXACT [] synonym: "endocardial tube" EXACT [] is_a: UBERON:0003914 ! epithelial tube is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0012275 ! meso-epithelium relationship: RO:0002202 UBERON:0005498 ! develops from primitive heart tube relationship: RO:0002495 UBERON:0005498 ! immediate transformation of primitive heart tube [Term] id: UBERON:0004151 name: cardiac chamber def: "A cardiac chamber surrounds an enclosed cavity within the heart." [] synonym: "chamber of heart" EXACT [] synonym: "heart chamber" EXACT [] is_a: UBERON:0000064 ! organ part is_a: UBERON:0004120 ! mesoderm-derived structure relationship: part_of UBERON:0000948 ! heart [Term] id: UBERON:0004177 name: hemopoietic organ def: "Organ that is part of the hematopoietic system." [] synonym: "haematological system organ" EXACT [] synonym: "haemopoietic system organ" EXACT [] synonym: "hematopoeitic or lymphoid organ" NARROW [] synonym: "hematopoeitic organ" EXACT [] synonym: "hematopoietic system organ" EXACT [] synonym: "lymph organ" NARROW [] synonym: "lymphoid organ" NARROW [] synonym: "organ of haematological system" EXACT [] synonym: "organ of haemopoietic system" EXACT [] synonym: "organ of hematopoietic system" EXACT [] synonym: "organ of organa haemopoietica" EXACT [] synonym: "organa haemopoietica organ" EXACT [] is_a: UBERON:0000062 ! organ is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0000062 ! organ intersection_of: part_of UBERON:0002390 ! hematopoietic system relationship: part_of UBERON:0002390 ! hematopoietic system [Term] id: UBERON:0004253 name: skin muscle def: "Any muscle organ that is part of a skin of body [Automatically generated definition]." [] synonym: "integumental system muscle" EXACT [] synonym: "muscle of integumental system" EXACT [] synonym: "muscle organ of skin" EXACT [] synonym: "skin muscle organ" EXACT [] is_a: UBERON:0001630 ! muscle organ intersection_of: UBERON:0001630 ! muscle organ intersection_of: part_of UBERON:0002416 ! integumental system relationship: part_of UBERON:0002416 ! integumental system [Term] id: UBERON:0004288 name: skeleton def: "Anatomical cluster that consists of all the skeletal elements (eg., bone, cartilage, and teeth) of the body." [] synonym: "set of all bones" EXACT [] synonym: "set of bones of body" EXACT [] is_a: UBERON:0034925 ! anatomical collection relationship: has_part UBERON:0004765 ! skeletal element relationship: part_of UBERON:0001434 ! skeletal system [Term] id: UBERON:0004291 name: heart rudiment def: "A cone-like structure that is formed when myocardial progenitor cells of the heart field fuse at the midline. The heart rudiment is the first structure of the heart tube." [] synonym: "heart cone" EXACT [] synonym: "rudimentary heart" EXACT [] is_a: UBERON:0012275 ! meso-epithelium relationship: RO:0002202 UBERON:0004139 ! develops from cardiogenic plate [Term] id: UBERON:0004464 name: musculature of thorax def: "Any collection of muscles that is part of a thorax [Automatically generated definition]." [] synonym: "muscle group of thorax" EXACT [] synonym: "muscles of thorax" EXACT [] synonym: "musculi thoracis" EXACT [] synonym: "set of muscles of thorax" EXACT [] synonym: "thoracic musculature" EXACT [] is_a: UBERON:0004479 ! musculature of trunk intersection_of: UBERON:0001015 ! musculature intersection_of: part_of UBERON:0000915 ! thoracic segment of trunk relationship: part_of UBERON:0000915 ! thoracic segment of trunk [Term] id: UBERON:0004479 name: musculature of trunk def: "Any collection of muscles that is part of a trunk [Automatically generated definition]." [] synonym: "muscle group of trunk" EXACT [] synonym: "muscular system of trunk" RELATED [] synonym: "set of muscles of trunk" EXACT [] is_a: UBERON:0001015 ! musculature intersection_of: UBERON:0001015 ! musculature intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0004521 name: vasculature of muscle organ def: "A vasculature that is part of a muscle organ [Automatically generated definition]." [] synonym: "muscular organ vasculature" EXACT [] is_a: UBERON:0006876 ! vasculature of organ intersection_of: UBERON:0002049 ! vasculature intersection_of: part_of UBERON:0001630 ! muscle organ relationship: part_of UBERON:0001630 ! muscle organ [Term] id: UBERON:0004522 name: vasculature of musculoskeletal system def: "A vasculature that is part of a musculoskeletal system [Automatically generated definition]." [] is_a: UBERON:0002049 ! vasculature intersection_of: UBERON:0002049 ! vasculature intersection_of: part_of UBERON:0002204 ! musculoskeletal system relationship: part_of UBERON:0002204 ! musculoskeletal system [Term] id: UBERON:0004535 name: cardiovascular system def: "Anatomical system that has as its parts the heart and blood vessels." [] synonym: "CV system" RELATED [] synonym: "Herz und Gefaesssystem" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000467 ! anatomical system intersection_of: UBERON:0000467 ! anatomical system intersection_of: has_part UBERON:0000948 ! heart intersection_of: has_part UBERON:0001981 ! blood vessel intersection_of: part_of UBERON:0001009 ! circulatory system relationship: has_part UBERON:0000948 ! heart relationship: has_part UBERON:0001981 ! blood vessel relationship: part_of UBERON:0001009 ! circulatory system [Term] id: UBERON:0004537 name: blood vasculature def: "A vascular network consisting of blood vessels." [] synonym: "blood system" RELATED [] synonym: "blood vascular network" EXACT [] synonym: "blood vessel system" RELATED [] synonym: "blood vessels" RELATED [] synonym: "set of blood vessels" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0002049 ! vasculature relationship: has_part UBERON:0001981 ! blood vessel [Term] id: UBERON:0004716 name: conceptus def: "The embryo and its adnexa (appendages or adjunct parts) or associated membranes (i.e. the products of conception) The conceptus includes all structures that develop from the zygote, both embryonic and extraembryonic. It includes the embryo as well as the embryonic part of the placenta and its associated membranes - amnion, chorion (gestational sac), and yolk sac[WP]." [] synonym: "embryo plus adnexa" EXACT [] is_a: UBERON:0000061 ! anatomical structure relationship: has_part UBERON:0002050 ! embryonic structure relationship: has_part UBERON:0016887 ! entire extraembryonic component [Term] id: UBERON:0004765 name: skeletal element def: "Organ consisting of skeletal tissue. Encompasses whole bones, fused bones, cartilaginious elements, teeth, dermal denticles." [] is_a: UBERON:0000062 ! organ relationship: part_of UBERON:0001434 ! skeletal system [Term] id: UBERON:0004770 name: articular system def: "Anatomical system that consists of all the joints of the body." [] synonym: "joint system" EXACT [] synonym: "set of all joints" RELATED [] synonym: "set of all joints of body" EXACT [] synonym: "set of joints of body" RELATED [] is_a: UBERON:0034925 ! anatomical collection relationship: has_part UBERON:0000982 ! skeletal joint relationship: part_of UBERON:0001434 ! skeletal system [Term] id: UBERON:0004797 name: blood vessel layer def: "Any of the tissue layers that comprise a blood vessel. Examples: tunica media, tunica adventitia." [] is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0004923 ! organ component layer intersection_of: UBERON:0004923 ! organ component layer intersection_of: part_of UBERON:0001981 ! blood vessel relationship: part_of UBERON:0035965 ! wall of blood vessel [Term] id: UBERON:0004872 name: splanchnic layer of lateral plate mesoderm def: "Layer of lateral plate mesoderm that forms the circulatory system and future gut wall - overlies endoderm[WP]." [] synonym: "inner layer of lateral plate mesoderm" EXACT [] synonym: "splanchnic mesoderm" RELATED [] synonym: "visceral mesoderm" BROAD [] is_a: UBERON:0002050 ! embryonic structure relationship: part_of UBERON:0003081 ! lateral plate mesoderm [Term] id: UBERON:0004905 name: articulation def: "Anatomical cluster that connects two or more adjacent skeletal elements or hardened body parts." [] synonym: "joint" NARROW [] is_a: UBERON:0034921 ! multi organ part structure relationship: part_of UBERON:0004770 ! articular system [Term] id: UBERON:0004923 name: organ component layer def: "A part of a wall of an organ that forms a layer." [] is_a: UBERON:0000064 ! organ part relationship: part_of UBERON:0000060 ! anatomical wall [Term] id: UBERON:0005079 name: eggshell def: "A product of the somatic follicle cell epithelium and a structure that supports the egg in a hostile environment, minimizing water loss whilst allowing gas exchanges essential for embryonic respiration[GO]." [] comment: LanguaL term definition: The covering of a bird or reptile egg. synonym: "egg shell" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0278 xref: langual:thesaurus.asp?termid=N0052 is_a: FOODON:03420194 ! egg or egg component is_a: FOODON:03500050 ! food contact surface from natural material is_a: UBERON:0000463 ! organism substance property_value: hasSynonym "shell (egg)" xsd:string property_value: IAO:0000118 "egg shell" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0005090 name: muscle structure def: "Muscle structures are contractile cells, tissues or organs that are found in multicellular organisms[GO]." [] synonym: "muscle" RELATED [] synonym: "muscle element" RELATED [] synonym: "musculus" EXACT [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0005177 name: trunk region element def: "An organ or element that part of the trunk region. The trunk region can be further subdividied into thoracic (including chest and thoracic cavity) and abdominal (including abdomen and pelbis) regions." [] synonym: "trunk organ" EXACT [] is_a: UBERON:0000062 ! organ intersection_of: UBERON:0000062 ! organ intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0005178 name: thoracic cavity element def: "An organ or element that is in the thoracic cavity. Examples: lung, heart, longus colli." [] synonym: "thoracic cavity organ" EXACT [] is_a: UBERON:0002075 ! viscus is_a: UBERON:0005181 ! thoracic segment organ [Term] id: UBERON:0005181 name: thoracic segment organ def: "An organ that part of the thoracic segment region. This region can be further subdividied chest and thoracic cavity regions." [] synonym: "upper body organ" RELATED [] is_a: UBERON:0005177 ! trunk region element intersection_of: UBERON:0000062 ! organ intersection_of: part_of UBERON:0000915 ! thoracic segment of trunk relationship: part_of UBERON:0000915 ! thoracic segment of trunk [Term] id: UBERON:0005256 name: trunk mesenchyme def: "Mesenchyme that is part of a developing trunk." [] synonym: "trunk and cervical mesenchyme" RELATED [] is_a: UBERON:0003104 ! mesenchyme is_a: UBERON:0005291 ! embryonic tissue intersection_of: UBERON:0003104 ! mesenchyme intersection_of: part_of UBERON:0000922 ! embryo intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0009142 ! entire embryonic mesenchyme [Term] id: UBERON:0005291 name: embryonic tissue def: "A portion of tissue that is part of an embryo." [] synonym: "developing tissue" RELATED [] synonym: "portion of embryonic tissue" EXACT [] is_a: UBERON:0000479 ! tissue intersection_of: UBERON:0000479 ! tissue intersection_of: part_of UBERON:0000922 ! embryo relationship: part_of UBERON:0002050 ! embryonic structure [Term] id: UBERON:0005292 name: extraembryonic tissue def: "Portion of tissue that is contiguous with the embryo and is comprised of portions of tissue or cells that will not contribute to the embryo." [] synonym: "extra-embryonic tissue" EXACT [] is_a: UBERON:0000479 ! tissue intersection_of: UBERON:0000479 ! tissue intersection_of: part_of UBERON:0016887 ! entire extraembryonic component relationship: part_of UBERON:0016887 ! entire extraembryonic component [Term] id: UBERON:0005423 name: developing anatomical structure synonym: "developing structure" RELATED [] synonym: "developmental structure" RELATED [] synonym: "developmental tissue" RELATED [] is_a: UBERON:0000465 ! material anatomical entity [Term] id: UBERON:0005498 name: primitive heart tube def: "Multi-tissue structure that arises from the heart rudiment and will become the heart tube." [] synonym: "early primitive heart tube" NARROW [] synonym: "primitive heart tube" EXACT [] is_a: UBERON:0000481 ! multi-tissue structure is_a: UBERON:0004120 ! mesoderm-derived structure relationship: part_of UBERON:0000922 ! embryo relationship: RO:0002202 UBERON:0004291 ! develops from heart rudiment [Term] id: UBERON:0005598 name: trunk somite def: "A somite that is part of a trunk." [] is_a: UBERON:0002329 ! somite intersection_of: UBERON:0002329 ! somite intersection_of: part_of UBERON:0002100 ! trunk relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0005764 name: acellular membrane def: "An acellular anatomical structure that is the bounding layer of a anatomical structure." [] is_a: UBERON:0000476 ! acellular anatomical structure relationship: part_of UBERON:0000061 ! anatomical structure [Term] id: UBERON:0005769 name: basement membrane of epithelium def: "An acellular membrane that is part of the epithelium, lies adjacent to the epithelial cells, and is the fusion of the the basal lamina and the reticular lamina." [] synonym: "basement membrane" RELATED [] synonym: "basement membrane of connective tissue" EXACT [] synonym: "membrana basalis" EXACT [] is_a: UBERON:0005764 ! acellular membrane relationship: part_of UBERON:0000483 ! epithelium [Term] id: UBERON:0005856 name: developing mesenchymal condensation def: "A delimited region of dense mesenchyme within looser mesenchyme." [] synonym: "mesenchyme condensation" EXACT [] is_a: UBERON:0007524 ! dense mesenchyme tissue is_a: UBERON:0011585 ! cell condensation [Term] id: UBERON:0005944 name: axial skeleton plus cranial skeleton def: "Subdivision of skeleton which consists of cranial skeleton, set of all vertebrae, set of all ribs and sternum[FMA, modified]." [] synonym: "skeleton axiale" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0010912 ! subdivision of skeleton relationship: part_of UBERON:0011137 ! axial skeletal system relationship: RO:0002202 UBERON:0003089 ! develops from sclerotome [Term] id: UBERON:0005983 name: heart layer def: "The laminar structure of the heart." [] is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0004923 ! organ component layer intersection_of: UBERON:0004923 ! organ component layer intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0000948 ! heart [Term] id: UBERON:0005985 name: coronary vessel def: "Any of the arteries or veins that supply blood to the heart or return blood from the heart muscles to the circulation." [] is_a: UBERON:0000055 ! vessel is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0000055 ! vessel intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0000948 ! heart [Term] id: UBERON:0006314 name: bodily fluid def: "Liquid components of living organisms. includes fluids that are excreted or secreted from the body as well as body water that normally is not." [] synonym: "body fluid" EXACT [] synonym: "fluid" BROAD [] is_a: UBERON:0000463 ! organism substance property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0006596 name: presumptive blood synonym: "future blood" EXACT [] is_a: UBERON:0006598 ! presumptive structure [Term] id: UBERON:0006598 name: presumptive structure def: "Portion of embryonic tissue determined by fate mapping to become a structure." [] synonym: "future structure" EXACT [] synonym: "presumptive structures" EXACT [] is_a: UBERON:0002050 ! embryonic structure [Term] id: UBERON:0006601 name: presumptive ectoderm def: "Presumptive structure of the blastula that will develop into ectoderm." [] synonym: "presumptive epidermis" RELATED [] is_a: UBERON:0006598 ! presumptive structure relationship: part_of UBERON:0000307 ! blastula [Term] id: UBERON:0006603 name: presumptive mesoderm def: "Presumptive structure of the blastula that will develop into mesoderm." [] is_a: UBERON:0006598 ! presumptive structure relationship: part_of UBERON:0000307 ! blastula [Term] id: UBERON:0006612 name: shell def: "A rigid covering that envelops an object." [] is_a: UBERON:0000477 ! anatomical cluster relationship: part_of UBERON:0002416 ! integumental system [Term] id: UBERON:0006876 name: vasculature of organ def: "A vasculature that is part of a organ." [] synonym: "organ vasculature" EXACT [] synonym: "set of blood vessels of organ" EXACT [] is_a: UBERON:0002049 ! vasculature intersection_of: UBERON:0002049 ! vasculature intersection_of: part_of UBERON:0000062 ! organ relationship: part_of UBERON:0000062 ! organ [Term] id: UBERON:0006965 name: vascular cord def: "The vascular cord is the primordial vasculature that will develop into blood vessels by the process of tubulogenesis[GO]. The vascular cord is composed of angioblast or vascular endothelial cells in a solid linear mass called a cord. The cord then undergoes tubulogenesis to form the lumen of the vessels[ZFA]." [] is_a: UBERON:0005423 ! developing anatomical structure relationship: part_of UBERON:0014903 ! primordial vasculature [Term] id: UBERON:0007005 name: cardiogenic splanchnic mesoderm def: "The splanchnic mesoderm in the cardiogenic region where the heart develops; it gives rise to endocardial heart tubes that fuse to form the primordial cardiac tube, the heart primordium[web]. Two migratory heart primordia that move ventrally during the course of neurulation, and then fuse[XAO]." [] synonym: "cardiac mesoderm" RELATED [] synonym: "cardiogenic mesoderm" RELATED [] synonym: "cardiogenic region" RELATED [] synonym: "cardiogenic splanchnopleure" EXACT [] synonym: "heart primordia" RELATED [] is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005291 ! embryonic tissue relationship: part_of UBERON:0004140 ! primary heart field relationship: part_of UBERON:0009881 ! anterior lateral plate mesoderm relationship: RO:0002202 UBERON:0004872 ! develops from splanchnic layer of lateral plate mesoderm [Term] id: UBERON:0007010 name: cleaving embryo def: "Organism at the cleavage stage." [] is_a: UBERON:0000922 ! embryo [Term] id: UBERON:0007023 name: adult organism def: "A multicellular organism that existence_ends_with a post-juvenile adult stage and existence_starts_with a post-juvenile adult stage." [] synonym: "adults" EXACT [] is_a: UBERON:0000468 ! multicellular organism property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0007100 name: primary circulatory organ def: "A hollow, muscular organ, which, by contracting rhythmically, keeps up the circulation of the blood or analogs[GO,modified]." [] synonym: "adult heart" RELATED [] synonym: "dorsal tube" NARROW [] synonym: "heart" NARROW [] is_a: UBERON:0015228 ! circulatory organ [Term] id: UBERON:0007282 name: presumptive segmental plate def: "A presumptive structure that has the potential to develop into a presomitic mesoderm." [] synonym: "presumptive segmental plates" RELATED [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0006598 ! presumptive structure relationship: RO:0002202 UBERON:0009618 ! develops from trunk paraxial mesoderm [Term] id: UBERON:0007285 name: presumptive paraxial mesoderm def: "The part of the blastula that has the potential to develop into a paraxial mesoderm." [] synonym: "future paraxial mesenchyme" EXACT [] synonym: "future paraxial mesoderm" EXACT [] is_a: UBERON:0006598 ! presumptive structure relationship: part_of UBERON:0000307 ! blastula [Term] id: UBERON:0007376 name: outer epithelium def: "The epidermis is the entire outer epithelial layer of an animal, it may be a single layer that produces an extracellular material (e.g. the cuticle of arthropods) or a complex stratified squamous epithelium, as in the case of many vertebrate species[GO]." [] synonym: "epidermis" EXACT [] synonym: "epidermis (sensu Metazoa)" EXACT [] synonym: "hypoderm" RELATED [] synonym: "hypodermis" RELATED [] synonym: "outer epidermal layer" EXACT [] synonym: "outer epithelial layer" EXACT [] is_a: UBERON:0003102 ! surface structure is_a: UBERON:0010371 ! ecto-epithelium relationship: RO:0002202 UBERON:0007383 ! develops from enveloping layer of ectoderm [Term] id: UBERON:0007378 name: egg yolk def: "The yellow spheroidal mass of stored food that forms the inner portion of the egg of a bird or reptile and is surrounded by the white." [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0215 is_a: FOODON:03420194 ! egg or egg component is_a: UBERON:0000463 ! organism substance property_value: IAO:0000118 "egg yolk" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0007379 name: shelled egg def: "The hard-shelled reproductive body produced by a bird (especially by the common domestic chicken) or a reptile; also: its contents used as food." [] comment: LanguaL curation note: The egg shell functions as a container. Therefore, the physical state of a raw egg in the shell is *LIQUID, HIGH VISCOSITY, WITH NO VISIBLE PARTICLES*. xref: http://www.langual.org/langual_thesaurus.asp?termid=C0128 xref: http://www.langual.org/langual_thesaurus.asp?termid=C0274 xref: Note that this is cross referenced to both LanguaL "egg" as well as "whole egg in shell" is_a: FOODON:03420194 ! egg or egg component intersection_of: FOODON:03420194 ! egg or egg component intersection_of: has_part UBERON:0005079 ! eggshell intersection_of: has_part UBERON:0007378 ! egg yolk intersection_of: has_part UBERON:0008944 ! albumen relationship: has_part UBERON:0005079 ! eggshell relationship: has_part UBERON:0007378 ! egg yolk relationship: has_part UBERON:0008944 ! albumen property_value: GENEPIO:0000006 "egg (with shell)" xsd:string property_value: IAO:0000118 "whole egg in shell" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0007383 name: enveloping layer of ectoderm def: "Outermost layer of cells surrounding the embryo." [] synonym: "enveloping layer" EXACT [] synonym: "EVL" EXACT [] is_a: UBERON:0000490 ! unilaminar epithelium is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0010371 ! ecto-epithelium relationship: RO:0002202 UBERON:0000076 ! develops from external ectoderm [Term] id: UBERON:0007500 name: epithelial tube open at both ends def: "An epithelial tube open at both ends that allows fluid flow." [] is_a: UBERON:0003914 ! epithelial tube [Term] id: UBERON:0007503 name: epithelial vesicle def: "A closed epithelium with a lumen." [] is_a: UBERON:0000483 ! epithelium [Term] id: UBERON:0007524 name: dense mesenchyme tissue def: "Mesenchyme with little extracellular matrix." [] is_a: UBERON:0003104 ! mesenchyme [Term] id: UBERON:0007530 name: migrating mesenchyme population def: "Mesenchymal cells that are migrating." [] is_a: UBERON:0003104 ! mesenchyme [Term] id: UBERON:0007688 name: anlage def: "Anlagen are populations of contiguous cells, typically arranged in one plane, that are morphologically indistinct, but that already correspond in extent to a later organ/tissue." [] synonym: "developmental field" EXACT [] synonym: "field" BROAD [] synonym: "future organ" RELATED [] synonym: "organ field" RELATED [] is_a: UBERON:0000479 ! tissue is_a: UBERON:0005423 ! developing anatomical structure [Term] id: UBERON:0007798 name: vascular system def: "Anatomical system that consists of all blood and lymph vessels." [] is_a: UBERON:0000467 ! anatomical system relationship: part_of UBERON:0004535 ! cardiovascular system [Term] id: UBERON:0008944 name: albumen def: "Albumen is the clear liquid contained within an egg and consists of water and proteins, among which are ovomucin and ovomucoid. It protects the egg yolk and provides additional nutrition for the growth of the embryo." [] synonym: "egg white" EXACT [] xref: http://www.langual.org/langual_thesaurus.asp?termid=C0241 is_a: FOODON:03420194 ! egg or egg component is_a: UBERON:0006314 ! bodily fluid property_value: hasSynonym "egg white" xsd:string property_value: IAO:0000118 "egg white, albumen" xsd:string property_value: IAO:0000412 http://langual.org xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/uberon.owl [Term] id: UBERON:0009142 name: entire embryonic mesenchyme def: "Sum total of mesenchyme in the embryo." [] is_a: UBERON:0000477 ! anatomical cluster relationship: has_part UBERON:0003104 ! mesenchyme relationship: part_of UBERON:0000922 ! embryo [Term] id: UBERON:0009569 name: subdivision of trunk synonym: "region of trunk" EXACT [] synonym: "trunk subdivision" EXACT [] is_a: UBERON:0000475 ! organism subdivision relationship: part_of UBERON:0002100 ! trunk [Term] id: UBERON:0009618 name: trunk paraxial mesoderm synonym: "trunk and cervical paraxial mesenchyme" EXACT [] synonym: "trunk paraxial mesenchyme" RELATED [] is_a: UBERON:0005256 ! trunk mesenchyme relationship: part_of UBERON:0003077 ! paraxial mesoderm relationship: part_of UBERON:0005256 ! trunk mesenchyme [Term] id: UBERON:0009751 name: cardiac mesenchyme def: "The embryonic connective tissue made up of loosely aggregated mesenchymal cells, supported by interlaminar jelly, that gives rise to the developing cardiac structures." [] synonym: "heart mesenchyme" EXACT [] is_a: UBERON:0003104 ! mesenchyme is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0003104 ! mesenchyme intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0000948 ! heart [Term] id: UBERON:0009881 name: anterior lateral plate mesoderm synonym: "ALPM" EXACT [] is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005291 ! embryonic tissue relationship: part_of UBERON:0003081 ! lateral plate mesoderm [Term] id: UBERON:0010000 name: multicellular anatomical structure def: "An anatomical structure that has more than one cell as a part." [] synonym: "multicellular structure" EXACT [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0010303 name: extraembryonic epithelium def: "An epithelium that is part of a extraembryonic structure." [] synonym: "extra-embryonic epithelium" EXACT [] is_a: UBERON:0000483 ! epithelium is_a: UBERON:0005292 ! extraembryonic tissue intersection_of: UBERON:0000483 ! epithelium intersection_of: part_of UBERON:0000478 ! extraembryonic structure relationship: part_of UBERON:0000478 ! extraembryonic structure [Term] id: UBERON:0010314 name: structure with developmental contribution from neural crest def: "An anatomical structure that has some part that develops from the neural crest." [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0010316 name: germ layer / neural crest is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0002050 ! embryonic structure is_a: UBERON:0005291 ! embryonic tissue relationship: RO:0002202 UBERON:0002532 ! develops from epiblast (generic) [Term] id: UBERON:0010371 name: ecto-epithelium def: "Epithelium composed of cells that develops from the ectoderm[FMA,modified]." [] synonym: "ectoderm-derived epithelium" EXACT [] is_a: UBERON:0000483 ! epithelium is_a: UBERON:0004121 ! ectoderm-derived structure intersection_of: UBERON:0000483 ! epithelium intersection_of: RO:0002202 UBERON:0000924 ! develops from ectoderm [Term] id: UBERON:0010912 name: subdivision of skeleton def: "Anatomical cluster consisting of the skeletal elements (i.e. bone elements, cartilage elements, cartilage condensations) that are part of an individual subdivision of the organism. Excludes joints." [] synonym: "skeletal subdivision" EXACT [] synonym: "subdivision of skeleton (in vivo)" RELATED [] is_a: UBERON:0011216 ! organ system subdivision relationship: part_of UBERON:0000075 ! subdivision of skeletal system relationship: part_of UBERON:0004288 ! skeleton [Term] id: UBERON:0011134 name: nonsynovial joint def: "Joint in which the articulating bones or cartilages are connected by ligaments or fibrocartilage without an intervening synovial cavity. Examples: sagittal suture, inferior tibiofibular syndesmosis, costochondral joint, pubic symphysis." [] synonym: "solid joint" EXACT [] is_a: UBERON:0000982 ! skeletal joint [Term] id: UBERON:0011137 name: axial skeletal system def: "Subdivision of the skeletal system which consists of the axial skeleton plus associated joints." [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000075 ! subdivision of skeletal system relationship: has_part UBERON:0000982 ! skeletal joint relationship: has_part UBERON:0005944 ! axial skeleton plus cranial skeleton [Term] id: UBERON:0011138 name: postcranial axial skeletal system def: "Subdivision of the skeletal system which consists of the postcranial axial skeleton plus associated joints." [] synonym: "axial skeletal system" BROAD [] synonym: "post-cranial axial skeletal system" EXACT [] is_a: CARO:0000000 ! anatomical entity is_a: UBERON:0000075 ! subdivision of skeletal system relationship: RO:0002202 UBERON:0003089 ! develops from sclerotome [Term] id: UBERON:0011216 name: organ system subdivision def: "A subdivision of an anatomical system." [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: part_of UBERON:0000467 ! anatomical system [Term] id: UBERON:0011585 name: cell condensation def: "Anatomical structure that is an aggregation of similar cells from which cartilages and bones form, and from which chondrogenesis and osteogenesis are initiated during repair and/or regeneration. (Hall and Miyake 1995)." [] is_a: UBERON:0000061 ! anatomical structure [Term] id: UBERON:0011676 name: subdivision of organism along main body axis def: "A major subdivision of an organism that divides an organism along its main body axis (typically anterio-posterior axis). In vertebrates, this is based on the vertebral column." [] synonym: "axial subdivision of organism" EXACT [] synonym: "body segment" RELATED [] synonym: "main body segment" RELATED [] is_a: UBERON:0000475 ! organism subdivision relationship: part_of UBERON:0013701 ! main body axis [Term] id: UBERON:0011695 name: embryonic cardiovascular system def: "A cardiovascular system that is part of a conceptus." [] synonym: "conceptus cardiovascular system" EXACT [] synonym: "embryonic circulatory system" RELATED [] synonym: "fetal circulatory system" RELATED [] is_a: UBERON:0004535 ! cardiovascular system intersection_of: UBERON:0004535 ! cardiovascular system intersection_of: part_of UBERON:0004716 ! conceptus relationship: part_of UBERON:0004716 ! conceptus [Term] id: UBERON:0012275 name: meso-epithelium def: "Epithelium that derives from the mesoderm. [Automatically generated definition]." [] synonym: "mesoderm-derived epithelium" EXACT [] synonym: "mesoepithelium" EXACT [] is_a: UBERON:0000483 ! epithelium is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0000483 ! epithelium intersection_of: RO:0002202 UBERON:0000926 ! develops from mesoderm [Term] id: UBERON:0012466 name: extraembryonic cavity synonym: "extraembryonic cavities" RELATED [] is_a: UBERON:0000464 ! anatomical space intersection_of: UBERON:0000464 ! anatomical space intersection_of: part_of UBERON:0016887 ! entire extraembryonic component relationship: part_of UBERON:0016887 ! entire extraembryonic component [Term] id: UBERON:0013522 name: subdivision of tube is_a: UBERON:0000064 ! organ part relationship: has_part UBERON:0000060 ! anatomical wall relationship: has_part UBERON:0000464 ! anatomical space relationship: part_of UBERON:0000025 ! tube [Term] id: UBERON:0013686 name: anatomical conduit space def: "An anatomical space which is the lumen of some anatomical conduit and connects two or more spaces together[FMA,modified]." [] synonym: "foramen space" NARROW [] is_a: UBERON:0000464 ! anatomical space relationship: part_of UBERON:0004111 ! anatomical conduit relationship: RO:0002176 UBERON:0000464 {cardinality="2"} ! connects anatomical space [Term] id: UBERON:0013701 name: main body axis def: "A principle subdivision of an organism that includes all structures along the primary axis, typically the anterior-posterior axis, from head to tail, including structures of the body proper where present (for example, ribs), but excluding appendages." [] is_a: UBERON:0000475 ! organism subdivision [Term] id: UBERON:0013702 name: body proper def: "The region of the organism associated with the visceral organs." [] synonym: "body" RELATED [] synonym: "whole body" RELATED [] is_a: UBERON:0000475 ! organism subdivision relationship: part_of UBERON:0013701 ! main body axis [Term] id: UBERON:0013754 name: integumentary system layer def: "An organ component layer that is part of a integumental system." [] synonym: "layer of skin" NARROW [] synonym: "skin layer" NARROW [] is_a: UBERON:0004923 ! organ component layer intersection_of: UBERON:0004923 ! organ component layer intersection_of: part_of UBERON:0002416 ! integumental system relationship: part_of UBERON:0002416 ! integumental system [Term] id: UBERON:0014477 name: thoracic skeleton def: "Subdivision of skeletal system that consists of all skeletal elements in the thoracic region of the trunk. In most vertebrates this is the rib cage and sternum." [] synonym: "skeleton of thorax" EXACT [] synonym: "thoracic part of axial skeleton" EXACT [] synonym: "thoracic skeleton" EXACT [] is_a: UBERON:0010912 ! subdivision of skeleton relationship: part_of UBERON:0000915 ! thoracic segment of trunk relationship: part_of UBERON:0002090 ! postcranial axial skeleton [Term] id: UBERON:0014903 name: primordial vasculature def: "A portion of tissue that will develop into vasculature." [] is_a: UBERON:0001048 ! primordium relationship: part_of UBERON:0011695 ! embryonic cardiovascular system [Term] id: UBERON:0015212 name: lateral structure def: "Any structure that is placed on one side of the left-right axis of a bilaterian." [] is_a: UBERON:0000061 ! anatomical structure relationship: part_of UBERON:0000465 ! material anatomical entity [Term] id: UBERON:0015228 name: circulatory organ def: "A hollow, muscular organ, which, by contracting rhythmically, contributes to the circulation of lymph, blood or analogs. Examples: a chambered vertebrate heart; the tubular peristaltic heart of ascidians; the dorsal vessel of an insect; the lymoh heart of a reptile." [] synonym: "cardiac pump" EXACT [] synonym: "cardiac structure" RELATED [] synonym: "circulatory vessel" NARROW [] synonym: "heart" BROAD [] synonym: "heart or heart like organ" EXACT [] is_a: UBERON:0003103 ! compound organ relationship: part_of UBERON:0001009 ! circulatory system [Term] id: UBERON:0015410 name: heart plus pericardium synonym: "heart/pericardium" EXACT [] is_a: UBERON:0005178 ! thoracic cavity element relationship: part_of UBERON:0004535 ! cardiovascular system [Term] id: UBERON:0016887 name: entire extraembryonic component def: "The part of the conceptus that may be lost before birth or will be discarded at birth, or when the embryo becomes an independent organism." [] synonym: "extra-embryonic component" EXACT [] synonym: "extraembryonic component" EXACT [] is_a: UBERON:0000481 ! multi-tissue structure relationship: part_of UBERON:0004716 ! conceptus [Term] id: UBERON:0018674 name: heart vasculature def: "An interconnected tubular multi-tissue structure that contains fluid that is actively transported around the heart." [] synonym: "cardiac vasculature" EXACT [] is_a: UBERON:0002201 ! vasculature of trunk is_a: UBERON:0006876 ! vasculature of organ intersection_of: UBERON:0002049 ! vasculature intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0000948 ! heart [Term] id: UBERON:0034921 name: multi organ part structure def: "An multicellular anatomical structure that has subparts of multiple organs as a part." [] synonym: "anatomical cluster" RELATED [] is_a: UBERON:0010000 ! multicellular anatomical structure relationship: has_part UBERON:0000064 ! organ part [Term] id: UBERON:0034923 name: disconnected anatomical group def: "Material anatomical entity consisting of multiple anatomical structures that are not connected to each other." [] is_a: UBERON:0000465 ! material anatomical entity relationship: has_part UBERON:0000061 ! anatomical structure [Term] id: UBERON:0034925 name: anatomical collection def: "A collection of anatomical structures that are alike in terms of their morphology or developmental origin." [] is_a: UBERON:0000465 ! material anatomical entity relationship: has_part UBERON:0000061 ! anatomical structure [Term] id: UBERON:0035965 name: wall of blood vessel synonym: "blood vessel wall" EXACT [] synonym: "vascular wall" RELATED [] is_a: UBERON:0000060 ! anatomical wall is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0000060 ! anatomical wall intersection_of: part_of UBERON:0001981 ! blood vessel relationship: has_part UBERON:0004797 ! blood vessel layer relationship: part_of UBERON:0001981 ! blood vessel [Term] id: UBERON:0036146 name: cardiopharyngeal field def: "An region of the mesoderm that includes anterior lateral mesoderm of the first heart field plus contiguous pharyngeal mesoderm that gives rise to second-heart-field-derived regions of the heart and branchiomeric muscles." [] is_a: UBERON:0002050 ! embryonic structure is_a: UBERON:0004120 ! mesoderm-derived structure is_a: UBERON:0005291 ! embryonic tissue is_a: UBERON:0007688 ! anlage [Term] id: UBERON:0037144 name: wall of heart def: "Wall of organ which has as its parts the endocardium, myocardium , epicardium, and the cardiac septum, surrounded by the pericardial sac proper and is continuous with the walls of the systemic and pulmonary arterial and venous trees." [] synonym: "cardiac wall" EXACT [] is_a: UBERON:0000060 ! anatomical wall is_a: UBERON:0004120 ! mesoderm-derived structure intersection_of: UBERON:0000060 ! anatomical wall intersection_of: part_of UBERON:0000948 ! heart relationship: part_of UBERON:0000948 ! heart [Term] id: XCO:0000000 name: experimental condition namespace: experimental_condition_ontology def: "A state of being, an external or environmental factor or a treatment observed or administered prior to or concurrent with an investigative procedure such as an assessment of a morphological or physiological state or property in a single individual or sample or in a group of individuals or samples, especially a state, factor or treatment which has the potential to influence the outcome of such an assessment." [Multiple_Dictionaries:http\://www.thefreedictionary.com/, PMID:22654893] [Term] id: XCO:0000001 name: activity namespace: experimental_condition_ontology def: "The state of being involved in some action, either physical or mental." [Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed, ISBN:978-1416049982] is_a: XCO:0000000 ! experimental condition [Term] id: XCO:0000002 name: resting namespace: experimental_condition_ontology def: "A state in which the organism is not exhibiting any physical exertion." [Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed, ISBN:978-1416049982] is_a: XCO:0000059 ! physical activity [Term] id: XCO:0000059 name: physical activity namespace: experimental_condition_ontology def: "Action in which a part of the body or whole body is involved in movement." [Dorland:Dorlands_Illustrated_Medical_Dictionary--31st_Ed, ISBN:978-1416049982] is_a: XCO:0000001 ! activity created_by: mshimoyama creation_date: 2009-12-17T01:50:15Z [Term] id: XCO:0000665 alt_id: CHEBI:35522 [Term] id: time:TemporalUnit is_a: BFO:0000038 ! one-dimensional temporal region [Typedef] id: BFO:0000054 name: realized in comment: Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process property_value: IAO:0000111 "realized in" xsd:string property_value: IAO:0000112 "this disease is realized in this disease course" xsd:string property_value: IAO:0000112 "this fragility is realized in this shattering" xsd:string property_value: IAO:0000112 "this investigator role is realized in this investigation" xsd:string property_value: IAO:0000118 "is realized by" xsd:string property_value: IAO:0000118 "realized_in" xsd:string property_value: IAO:0000600 "[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl domain: BFO:0000017 ! realizable entity range: BFO:0000015 ! process inverse_of: BFO:0000055 ! realizes [Typedef] id: BFO:0000055 name: realizes comment: Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process property_value: IAO:0000111 "realizes" xsd:string property_value: IAO:0000112 "this disease course realizes this disease" xsd:string property_value: IAO:0000112 "this investigation realizes this investigator role" xsd:string property_value: IAO:0000112 "this shattering realizes this fragility" xsd:string property_value: IAO:0000600 "to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/iao.owl domain: BFO:0000015 ! process range: BFO:0000017 ! realizable entity [Typedef] id: BFO:0000066 name: occurs in def: "b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t" [] comment: Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam property_value: IAO:0000111 "occurs in" xsd:string property_value: IAO:0000118 "occurs_in" xsd:string property_value: IAO:0000118 "unfolds in" xsd:string property_value: IAO:0000118 "unfolds_in" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl domain: BFO:0000003 ! occurrent range: BFO:0000004 ! independent continuant holds_over_chain: part_of BFO:0000066 inverse_of: BFO:0000067 ! contains process transitive_over: part_of ! part_of [Typedef] id: BFO:0000067 name: contains process def: "[copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t" [] comment: Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant property_value: IAO:0000111 "site of" xsd:string property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Typedef] id: ENVO:01001307 name: partially_surrounded_by def: "x partially_surrounded_by y if and only if (1) x is adjacent to y and for the region r that is adjacent to x, r partially overlaps y (2) the shared boundary between x and y occupies a non-trivial proportion of the outermost boundary of x" [] comment: Definition modified from 'surrounded by'. property_value: IAO:0000112 "A duck swimming in a pond is partially surrounded by air and partially surrounded by water." xsd:string [Typedef] id: ENVO:01003004 name: derives from part of def: "A relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist through the separation or transformation of a part of the old entity, and the new entity inherits a significant portion of the matter belonging to that part of the old entity." [] [Typedef] id: ENVO:02500020 name: results in proliferation of comment: To be ceded to RO [Typedef] id: ENVO:2000036 name: generates def: "A relation between a process and a disposition such that the existence of the disposition is caused by the execution of the process." [] property_value: IAO:0000116 "Consider ceding to RO" xsd:string created_by: https://orcid.org/0000-0002-6601-2165 creation_date: 2018-11-03T20:58:13Z [Typedef] id: FOODON:00001301 name: has food substance analog is_symmetric: true [Typedef] id: FOODON:00001563 name: has defining ingredient def: "A defining ingredient defines what a food is principally categorized as, rather than an ingredient listed by percentage of weight or volume. A food may have more than one defining ingredient." [] property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "FoodOn" xsd:string property_value: IAO:0000600 "For example, 'bean soup' has a defining ingredient of some 'bean (whole)'. Similarly, spicy chicken wings require a defining ingredient of (usually minute) amounts of chilli. \n\nA soup may 'has ingredient' some bean, but that doesn't make it a 'bean soup', i.e. there should be no inference to that category. However, some classes may have that simple ingredient \"necessary and sufficient\" equivalency." xsd:string is_a: FOODON:00002420 ! has ingredient [Typedef] id: FOODON:00002420 name: has ingredient def: "A relation attaching between a food material and another food material that has been added to it at some point in its history." [] property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000119 "FoodOn" xsd:string property_value: seeAlso https://www.fda.gov/food/food-ingredients-packaging/overview-food-ingredients-additives-colors domain: FOODON:00002403 ! food material range: FOODON:00001002 ! food product is_a: RO:0009001 ! has substance added [Typedef] id: HANCESTRO:0308 name: hasCountryOfOrigin property_value: IAO:0000118 "has country of origin" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/hancestro.owl [Typedef] id: OBI:0000293 name: has_specified_input def: "The inverse property of is_specified_input_of" [] property_value: IAO:0000111 "has_specified_input" xsd:string property_value: IAO:0000111 "has_specified_input" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl is_a: has_participant ! has participant [Typedef] id: OBI:0000299 name: has_specified_output def: "The inverse property of is_specified_output_of" [] property_value: IAO:0000111 "has_specified_output" xsd:string property_value: IAO:0000111 "has_specified_output" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl is_a: has_participant ! has participant [Typedef] id: RO:0001000 name: derives from def: "a relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity" [] subset: ro-eco property_value: IAO:0000112 "this cell derives from this parent cell (cell division)" xsd:string property_value: IAO:0000112 "this nucleus derives from this parent nucleus (nuclear division)" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops from'." xsd:string property_value: IAO:0000118 "derives_from" xsd:string property_value: IAO:0000232 "This relation is taken from the RO2005 version of RO. It may be obsoleted and replaced by relations with different definitions. See also the 'develops from' family of relations." xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl is_a: ENVO:01003004 ! derives from part of inverse_of: RO:0001001 ! derives into [Typedef] id: RO:0001001 name: derives into def: "a relation between two distinct material entities, the old entity and the new entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity" [] subset: ro-eco property_value: IAO:0000112 "this parent cell derives into this cell (cell division)" xsd:string property_value: IAO:0000112 "this parent nucleus derives into this nucleus (nuclear division)" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops into'. To avoid making statements about a future that may not come to pass, it is often better to use the backward-looking 'derives from' rather than the forward-looking 'derives into'." xsd:string property_value: IAO:0000118 "derives_into" xsd:string [Typedef] id: RO:0001018 name: contained in subset: ro-eco property_value: IAO:0000111 "contained in" xsd:string property_value: IAO:0000116 "Containment is location not involving parthood, and arises only where some immaterial continuant is involved." xsd:string property_value: IAO:0000116 "Containment obtains in each case between material and immaterial continuants, for instance: lung contained_in thoracic cavity; bladder contained_in pelvic cavity. Hence containment is not a transitive relation. If c part_of c1 at t then we have also, by our definition and by the axioms of mereology applied to spatial regions, c located_in c1 at t. Thus, many examples of instance-level location relations for continuants are in fact cases of instance-level parthood. For material continuants location and parthood coincide. Containment is location not involving parthood, and arises only where some immaterial continuant is involved. To understand this relation, we first define overlap for continuants as follows: c1 overlap c2 at t =def for some c, c part_of c1 at t and c part_of c2 at t. The containment relation on the instance level can then be defined (see definition):" xsd:string property_value: IAO:0000116 "Intended meaning:\ndomain: material entity\nrange: spatial region or site (immaterial continuant)\n " xsd:string property_value: IAO:0000118 "contained_in" xsd:string property_value: RO:0001900 RO:0001901 domain: BFO:0000040 ! material entity range: BFO:0000004 ! independent continuant holds_over_chain: RO:0001025 part_of inverse_of: RO:0001019 ! contains [Typedef] id: RO:0001019 name: contains subset: ro-eco property_value: IAO:0000111 "contains" xsd:string property_value: RO:0001900 RO:0001901 [Typedef] id: RO:0001025 name: located in name: located_in def: "a relation between two independent continuants, the target and the location, in which the target is entirely within the location" [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term property_value: http://purl.org/dc/elements/1.1/source http://www.obofoundry.org/ro/#OBO_REL:located_in xsd:string property_value: IAO:0000111 "located in" xsd:string property_value: IAO:0000112 "my brain is located in my head" xsd:string property_value: IAO:0000112 "this rat is located in this cage" xsd:string property_value: IAO:0000116 "Location as a relation between instances: The primitive instance-level relation c located_in r at t reflects the fact that each continuant is at any given time associated with exactly one spatial region, namely its exact location. Following we can use this relation to define a further instance-level location relation - not between a continuant and the region which it exactly occupies, but rather between one continuant and another. c is located in c1, in this sense, whenever the spatial region occupied by c is part_of the spatial region occupied by c1. Note that this relation comprehends both the relation of exact location between one continuant and another which obtains when r and r1 are identical (for example, when a portion of fluid exactly fills a cavity), as well as those sorts of inexact location relations which obtain, for example, between brain and head or between ovum and uterus" xsd:string property_value: IAO:0000116 "Most location relations will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string property_value: IAO:0000118 "located_in" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 domain: BFO:0000004 {http://purl.obolibrary.org/obo/IAO_0000116="This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation."} ! independent continuant range: BFO:0000004 {http://purl.obolibrary.org/obo/IAO_0000116="This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation."} ! independent continuant is_transitive: true transitive_over: part_of ! part_of [Typedef] id: RO:0002007 name: bounding layer of def: "X outer_layer_of Y iff:\n. X :continuant that bearer_of some PATO:laminar\n. X part_of Y\n. exists Z :surface\n. X has_boundary Z\n. Z boundary_of Y\n\nhas_boundary: http://purl.obolibrary.org/obo/RO_0002002\nboundary_of: http://purl.obolibrary.org/obo/RO_0002000" [] comment: A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane. subset: ro-eco property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string range: BFO:0000040 ! material entity is_a: part_of ! part_of [Typedef] id: RO:0002084 name: during which ends comment: Previously had ID http://purl.obolibrary.org/obo/RO_0002122 in test files in sandpit - but this seems to have been dropped from ro-edit.owl at some point. No re-use under this ID AFAIK, but leaving note here in case we run in to clashes down the line. Official ID now chosen from DOS ID range. subset: ro-eco property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string is_a: temporally_related_to ! temporally related to inverse_of: RO:0002093 ! ends during [Typedef] id: RO:0002088 name: during which starts comment: Previously had ID http://purl.obolibrary.org/obo/RO_0002123 in test files in sandpit - but this seems to have been dropped from ro-edit.owl at some point. No re-use under this ID AFAIK, but leaving note here in case we run in to clashes down the line. Official ID now chosen from DOS ID range. subset: ro-eco property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string is_a: temporally_related_to ! temporally related to inverse_of: RO:0002091 ! starts during [Typedef] id: RO:0002091 name: starts during comment: X starts_during Y iff: (start(Y) before_or_simultaneous_with start(X)) AND (start(X) before_or_simultaneous_with end(Y)) subset: ro-eco property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000118 "io" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent is_a: temporally_related_to ! temporally related to [Typedef] id: RO:0002093 name: ends during comment: X ends_during Y iff: ((start(Y) before_or_simultaneous_with end(X)) AND end(X) before_or_simultaneous_with end(Y). subset: ro-eco property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000118 "o" xsd:string property_value: IAO:0000118 "overlaps" xsd:string is_a: temporally_related_to ! temporally related to [Typedef] id: RO:0002150 name: continuous with def: "X continuous_with Y if and only if X and Y share a fiat boundary." [] property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000118 "connected to" xsd:string property_value: IAO:0000232 "The label for this relation was previously connected to. I relabeled this to \"continuous with\". The standard notion of connectedness does not imply shared boundaries - e.g. Glasgow connected_to Edinburgh via M8; my patella connected_to my femur (via patellar-femoral joint)" xsd:string property_value: RO:0001900 RO:0001901 property_value: seeAlso FMA:85972 xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000004 ! independent continuant is_symmetric: true is_a: mereotopologically_related_to ! mereotopologically related to [Typedef] id: RO:0002163 name: spatially disjoint from def: "A is spatially_disjoint_from B if and only if they have no parts in common" [] subset: ro-eco property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "There are two ways to encode this as a shortcut relation. The other possibility to use an annotation assertion between two classes, and expand this to a disjointness axiom. " xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/22293552 property_value: IAO:0000232 "Note that it would be possible to use the relation to label the relationship between a near infinite number of structures - between the rings of saturn and my left earlobe. The intent is that this is used for parsiomoniously for disambiguation purposes - for example, between siblings in a jointly exhaustive pairwise disjointness hierarchy" xsd:string property_value: RO:0001900 RO:0001901 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Part-disjointness-Design-Pattern xsd:anyURI is_a: mereotopologically_related_to ! mereotopologically related to expand_expression_to: "BFO_0000051 exactly 0 (BFO_0000050 some ?Y)" [] [Typedef] id: RO:0002170 name: connected to def: "a is connected to b if and only if a and b are discrete structure, and there exists some connecting structure c, such that c connects a and b" [] property_value: IAO:0000112 "a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones)." xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/22293552 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern xsd:anyURI property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Modeling-articulations-Design-Pattern xsd:anyURI is_a: mereotopologically_related_to ! mereotopologically related to [Typedef] id: RO:0002176 name: connects def: "c connects a if and only if there exist some b such that a and b are similar parts of the same system, and c connects b, specifically, c connects a with b. When one structure connects two others it unites some aspect of the function or role they play within the system." [] property_value: IAO:0000112 "a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones)." xsd:string property_value: IAO:0000112 "The M8 connects Glasgow and Edinburgh" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/22293552 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern xsd:anyURI property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Modeling-articulations-Design-Pattern xsd:anyURI domain: BFO:0000004 ! independent continuant is_a: mereotopologically_related_to ! mereotopologically related to [Typedef] id: RO:0002202 name: develops from name: develops_from def: "x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y" [] comment: This is the transitive form of the develops from relation property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000117 "Melissa Haendel" xsd:string property_value: IAO:0000117 "Terry Meehan" xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000004 ! independent continuant is_transitive: true is_a: RO:0002258 ! developmentally preceded by inverse_of: RO:0002203 ! develops into [Typedef] id: RO:0002203 name: develops into def: "inverse of develops from" [] subset: RO:0002259 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000117 "Terry Meehan" xsd:string is_transitive: true is_a: RO:0002286 ! developmentally succeeded by is_a: RO:0002387 ! has potential to develop into is_a: RO:0002388 ! has potential to directly develop into [Typedef] id: RO:0002207 name: directly develops from def: "Candidate definition: x directly_develops from y if and only if there exists some developmental process (GO:0032502) p such that x and y both participate in p, and x is the output of p and y is the input of p, and a substantial portion of the matter of x comes from y, and the start of x is coincident with or after the end of y." [] comment: TODO - add child relations from DOS property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000117 "has developmental precursor" xsd:string property_value: IAO:0000119 "FBbt" xsd:string property_value: RO:0002575 RO:0002202 is_a: RO:0002202 ! develops from inverse_of: RO:0002210 ! directly develops into [Typedef] id: RO:0002210 name: directly develops into def: "inverse of directly develops from" [] subset: RO:0002259 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000118 "developmental precursor of" xsd:string is_a: RO:0002203 ! develops into [Typedef] id: RO:0002219 name: surrounded by def: "x surrounded_by y if and only if (1) x is adjacent to y and for every region r that is adjacent to x, r overlaps y (2) the shared boundary between x and y occupies the majority of the outermost boundary of x" [] property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0001900 RO:0001901 is_a: RO:0002220 ! adjacent to inverse_of: RO:0002221 ! surrounds [Typedef] id: RO:0002220 name: adjacent to def: "x adjacent to y if and only if x and y share a boundary." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam property_value: IAO:0000112 "A caterpillar walking on the surface of a leaf is adjacent_to the leaf, if one of the caterpillar appendages is touching the leaf. In contrast, a butterfly flying close to a flower is not considered adjacent, unless there are any touching parts." xsd:string {http://www.w3.org/2000/01/rdf-schema#seeAlso="issuecomment-218584934"} property_value: IAO:0000112 "The epidermis layer of a vertebrate is adjacent to the dermis." xsd:string property_value: IAO:0000112 "The plasma membrane of a cell is adjacent to the cytoplasm, and also to the cell lumen which the cytoplasm occupies." xsd:string property_value: IAO:0000112 "The skin of the forelimb is adjacent to the skin of the torso if these are considered anatomical subdivisions with a defined border. Otherwise a relation such as continuous_with would be used." xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "This relation acts as a join point with BSPO" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0001900 RO:0001901 domain: BFO:0000004 ! independent continuant range: BFO:0000004 ! independent continuant is_a: RO:0002163 ! spatially disjoint from [Typedef] id: RO:0002221 name: surrounds def: "inverse of surrounded by" [] subset: RO:0002259 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0001900 RO:0001901 is_a: RO:0002220 ! adjacent to [Typedef] id: RO:0002225 name: develops from part of def: "x develops from part of y if and only if there exists some z such that x develops from z and z is part of y" [] property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string holds_over_chain: RO:0002207 part_of is_a: RO:0002202 ! develops from [Typedef] id: RO:0002226 name: develops in def: "x develops_in y if x is located in y whilst x is developing" [] property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 "EHDAA2" xsd:string property_value: IAO:0000119 "Jonathan Bard, EHDAA2" xsd:string domain: CARO:0000000 ! anatomical entity holds_over_chain: RO:0002207 RO:0001025 is_a: RO:0002258 ! developmentally preceded by [Typedef] id: RO:0002232 name: has end location def: "x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y" [] subset: ro-eco property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "ends with process that occurs in" xsd:string domain: BFO:0000015 ! process range: BFO:0000004 ! independent continuant holds_over_chain: ends_with BFO:0000066 is_a: RO:0002479 ! has part that occurs in [Typedef] id: RO:0002242 name: has exposure route def: "A broad relationship between an exposure event or process and a process by which the exposure stressor comes into contact with the exposure receptor" [] property_value: IAO:0000119 ExO:0000055 xsd:string is_a: RO:0002244 ! related via exposure to [Typedef] id: RO:0002243 name: has exposure transport path def: "A broad relationship between an exposure event or process and the course takes from the source to the target." [] property_value: IAO:0000119 http://purl.obolibrary.org/obo/ExO_0000004 xsd:anyURI is_a: RO:0002244 ! related via exposure to [Typedef] id: RO:0002244 name: related via exposure to def: "Any relationship between an exposure event or process and any other entity." [] property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving exposure events or processes." xsd:string domain: RO:0002310 ! exposure event or process is_a: causally_related_to ! causally related to [Typedef] id: RO:0002254 name: has developmental contribution from def: "x has developmental contribution from y iff x has some part z such that z develops from y" [] property_value: IAO:0000112 "Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong]" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string domain: CARO:0000000 ! anatomical entity range: CARO:0000000 ! anatomical entity holds_over_chain: has_part RO:0002202 is_a: RO:0002258 ! developmentally preceded by inverse_of: RO:0002255 ! developmentally contributes to [Typedef] id: RO:0002255 name: developmentally contributes to def: "inverse of has developmental contribution from" [] subset: RO:0002259 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string holds_over_chain: RO:0002203 part_of is_a: RO:0002286 ! developmentally succeeded by is_a: RO:0002385 ! has potential to developmentally contribute to [Typedef] id: RO:0002258 name: developmentally preceded by def: "Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p" [] comment: This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "false" xsd:boolean property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "In general you should not use this relation to make assertions - use one of the more specific relations below this one" xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: developmentally_related_to ! developmentally related to inverse_of: RO:0002286 ! developmentally succeeded by [Typedef] id: RO:0002286 name: developmentally succeeded by def: "Inverse of developmentally preceded by" [] property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: RO:0002384 ! has developmental potential involving [Typedef] id: RO:0002287 name: part of developmental precursor of property_value: IAO:0000112 "'hypopharyngeal eminence' SubClassOf 'part of precursor of' some tongue" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string holds_over_chain: part_of RO:0002210 is_a: RO:0002286 ! developmentally succeeded by [Typedef] id: RO:0002303 name: has habitat def: "x 'has habitat' y if and only if: x is an organism, y is a habitat, and y can sustain and allow the growth of a population of xs." [] comment: A population of xs will possess adaptations (either evolved naturally or via artifical selection) which permit it to exist and grow in y. subset: ro-eco property_value: IAO:0000112 "Hydrozoa (NCBITaxon_6074) SubClassOf 'has habitat' some 'Hydrozoa habitat'\nwhere\n'Hydrozoa habitat' SubClassOf overlaps some ('marine environment' (ENVO_00000569) and 'freshwater environment' (ENVO_01000306) and 'wetland' (ENVO_00000043)) and 'has part' some (freshwater (ENVO_00002011) or 'sea water' (ENVO_00002149)) -- http://eol.org/pages/1795/overview" xsd:string property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Pier Buttigieg" xsd:string property_value: IAO:0000118 "adapted for living in" xsd:string domain: CARO:0001010 ! organism or virus or viroid range: ENVO:01000254 ! environmental system is_a: RO:0002321 ! ecologically related to [Typedef] id: RO:0002309 name: has exposure stimulus def: "A relationship between an exposure event or process and any agent, stimulus, activity, or event that causally effects an organism and interacts with an exposure receptor during an exposure event." [] property_value: http://purl.org/dc/terms/contributor "Austin Meier" xsd:string property_value: http://purl.org/dc/terms/contributor "Chris Mungall" xsd:string property_value: http://purl.org/dc/terms/contributor "Marie Angelique Laporte" xsd:string is_a: RO:0002244 ! related via exposure to created_by: cjm creation_date: 2017-06-05T17:35:04Z [Typedef] id: RO:0002321 name: ecologically related to def: "A relationship that is mediated in some way by the environment or environmental feature (ENVO:00002297)" [] subset: ro-eco property_value: IAO:0000116 "Awaiting class for domain/range constraint, see: https://github.com/OBOFoundry/Experimental-OBO-Core/issues/6" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving ecological interactions" xsd:string [Typedef] id: RO:0002350 name: member of def: "is member of is a mereological relation between a item and a collection." [] property_value: IAO:0000112 "An organism that is a member of a population of organisms" xsd:string property_value: IAO:0000118 "is member of" xsd:string property_value: IAO:0000118 "member part of" xsd:string property_value: IAO:0000119 "SIO" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 is_a: part_of ! part_of inverse_of: RO:0002351 ! has member [Typedef] id: RO:0002351 name: has member def: "has member is a mereological relation between a collection and an item." [] property_value: IAO:0000119 "SIO" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 is_a: has_part ! has_part [Typedef] id: RO:0002379 name: spatially coextensive with def: "x spatially_coextensive_with y if and inly if x and y have the same location" [] property_value: IAO:0000112 "A lump of clay and a statue" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "This relation is added for formal completeness. It is unlikely to be used in many practical scenarios" xsd:string is_a: overlaps ! overlaps [Typedef] id: RO:0002384 name: has developmental potential involving def: "x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction)." [] property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string domain: CARO:0000000 ! anatomical entity range: CARO:0000000 ! anatomical entity is_a: developmentally_related_to ! developmentally related to [Typedef] id: RO:0002385 name: has potential to developmentally contribute to def: "x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y" [] property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: RO:0002384 ! has developmental potential involving [Typedef] id: RO:0002387 name: has potential to develop into def: "x has the potential to develop into y iff x develops into y or if x is capable of developing into y" [] property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: RO:0002384 ! has developmental potential involving [Typedef] id: RO:0002388 name: has potential to directly develop into def: "x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y" [] property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: RO:0002387 ! has potential to develop into [Typedef] id: RO:0002432 name: is active in def: "c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure." [GOC:cjm, GOC:dos] synonym: "enables activity in" EXACT [] property_value: IAO:0000112 "A protein that enables activity in a cytosol." xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "executes activity in" xsd:string holds_over_chain: enables BFO:0000066 {http://purl.obolibrary.org/obo/RO_0002581="true"} is_a: functionally_related_to ! functionally related to is_a: overlaps ! overlaps [Typedef] id: RO:0002473 name: composed primarily of def: "x composed_primarily_of y if and only if more than half of the mass of x is made from y or units of the same type as y." [] subset: ro-eco property_value: IAO:0000112 "'otolith organ' SubClassOf 'composed primarily of' some 'calcium carbonate'" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/22293552 property_value: RO:0001900 RO:0001901 domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: has_part ! has_part [Typedef] id: RO:0002479 name: has part that occurs in def: "p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c." [] subset: ro-eco property_value: IAO:0000117 "Chris Mungall" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000004 ! independent continuant holds_over_chain: has_part BFO:0000066 {http://purl.obolibrary.org/obo/RO_0002581="true"} [Typedef] id: RO:0002494 name: transformation of def: "x transformation of y if x is the immediate transformation of y, or is linked to y through a chain of transformation relationships" [] property_value: IAO:0000117 "Chris Mungall" xsd:string is_transitive: true is_a: RO:0002202 ! develops from [Typedef] id: RO:0002495 name: immediate transformation of def: "x immediate transformation of y iff x immediately succeeds y temporally at a time boundary t, and all of the matter present in x at t is present in y at t, and all the matter in y at t is present in x at t" [] property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0002575 RO:0002494 is_a: RO:0002207 ! directly develops from is_a: RO:0002494 ! transformation of [Typedef] id: RO:0002507 name: determined by def: "s determined by f if and only if s is a type of system, and f is a material entity that is part of s, such that f exerts a strong causal influence on the functioning of s, and the removal of f would cause the collapse of s." [] subset: ro-eco property_value: http://purl.org/dc/terms/creator "Chris Mungall" xsd:string property_value: http://purl.org/dc/terms/creator "Pier Buttigieg" xsd:string property_value: IAO:0000112 "A coral reef environment is determined by a particular coral reef" xsd:string property_value: IAO:0000116 "The label for this relation is probably too general for its restricted use, where the domain is a system. It may be relabeled in future" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/24330602 property_value: IAO:0000589 "determined by (system to material entity)" xsd:string domain: RO:0002577 ! system range: BFO:0000040 ! material entity is_a: causally_influenced_by ! causally influenced by is_a: part_of ! part_of is_a: RO:0002509 ! determined by part of inverse_of: RO:0002508 ! determines [Typedef] id: RO:0002508 name: determines def: "inverse of determined by" [] subset: ro-eco subset: RO:0002259 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000589 "determines (material entity to system)" xsd:string is_a: causally_influences ! causally influences [Typedef] id: RO:0002509 name: determined by part of def: "s 'determined by part of' w if and only if there exists some f such that (1) s 'determined by' f and (2) f part_of w, or f=w." [] subset: ro-eco property_value: IAO:0000117 "Chris Mungall" xsd:string domain: RO:0002577 ! system range: BFO:0000040 ! material entity holds_over_chain: RO:0002507 part_of {http://purl.obolibrary.org/obo/RO_0002582="true"} is_a: causal_relation_between_entities ! causal relation between entities is_a: overlaps ! overlaps [Typedef] id: RO:0003000 name: produces def: "a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix." [] comment: Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue. subset: ro-eco property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Melissa Haendel" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity inverse_of: RO:0003001 ! produced by [Typedef] id: RO:0003001 name: produced by def: "a produced_by b iff some process that occurs_in b has_output a." [] subset: ro-eco property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Melissa Haendel" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity [Typedef] id: RO:0004028 name: realized in response to stimulus def: "A relationship between a realizable entity R (e.g. function or disposition) and a material entity M where R is realized in response to a process that has an input stimulus of M." [] domain: BFO:0000017 ! realizable entity range: BFO:0000040 ! material entity holds_over_chain: RO:0009501 has_input is_a: causally_related_to ! causally related to created_by: cjm creation_date: 2017-12-26T19:45:49Z [Typedef] id: RO:0009001 name: has substance added def: "\"has substance added\" is a relation existing between a (physical) entity and a substance in which the entity has had the substance added to it at some point in time." [] property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Damion Dooley" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl [Typedef] id: RO:0009501 name: realized in response to def: "r 'realized in response to' s iff, r is a realizable (e.g. a plant trait such as responsivity to drought), s is an environmental stimulus (a process), and s directly causes the realization of r." [] synonym: "triggered by process" EXACT [RO:cjm] property_value: http://purl.org/dc/terms/contributor "Austin Meier" xsd:string property_value: http://purl.org/dc/terms/contributor "Chris Mungall" xsd:string property_value: http://purl.org/dc/terms/contributor "David Osumi-Sutherland" xsd:string property_value: http://purl.org/dc/terms/contributor "Marie Angelique Laporte" xsd:string property_value: IAO:0000112 "A drought sensitivity trait that inheres in a whole plant is realized in a systemic response process in response to exposure to drought conditions." xsd:string property_value: IAO:0000112 "An inflammatory disease that is realized in response to an inflammatory process occurring in the gut (which is itself the realization of a process realized in response to harmful stimuli in the mucosal lining of th gut)" xsd:string property_value: IAO:0000112 "Environmental polymorphism in butterflies: These butterflies have a 'responsivity to day length trait' that is realized in response to the duration of the day, and is realized in developmental processes that lead to increased or decreased pigmentation in the adult morph." xsd:string property_value: seeAlso https://docs.google.com/document/d/1KWhZxVBhIPkV6_daHta0h6UyHbjY2eIrnON1WIRGgdY/edit xsd:anyURI domain: BFO:0000017 ! realizable entity range: BFO:0000015 ! process holds_over_chain: BFO:0000054 causally_downstream_of is_a: causally_related_to ! causally related to [Typedef] id: RO:0015006 name: different in magnitude relative to def: "q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [https://orcid.org/0000-0002-6601-2165] domain: PATO:0000001 ! quality range: PATO:0000001 ! quality [Typedef] id: RO:0015007 name: increased in magnitude relative to def: "q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [https://orcid.org/0000-0002-6601-2165] comment: This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. domain: PATO:0000001 ! quality range: PATO:0000001 ! quality is_a: RO:0015006 ! different in magnitude relative to [Typedef] id: RO:0015008 name: decreased in magnitude relative to def: "q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [https://orcid.org/0000-0002-6601-2165] comment: This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. domain: PATO:0000001 ! quality range: PATO:0000001 ! quality is_a: RO:0015006 ! different in magnitude relative to [Typedef] id: RO:0015012 name: reciprocal of def: "q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e." [https://orcid.org/0000-0002-6601-2165] comment: There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. [Typedef] id: RO:0016004 name: has exposure medium def: "X has exposure medium Y if X is an exposure event (process), Y is a material entity, and the stimulus for X is transmitted or carried in Y." [] property_value: http://purl.org/dc/elements/1.1/date 2021-12-14T20:41:45Z xsd:dateTime property_value: IAO:0000119 ExO:0000083 xsd:string is_a: RO:0002244 ! related via exposure to created_by: https://orcid.org/0000-0002-7463-6306 [Typedef] id: acts_upstream_of name: acts upstream of def: "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0002263 property_value: IAO:0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." xsd:string property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of holds_over_chain: enables causally_upstream_of is_a: acts_upstream_of_or_within ! acts upstream of or within [Typedef] id: acts_upstream_of,_negative_effect name: acts upstream of, negative effect def: "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0004035 property_value: RO:0004050 RO:0002263 property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of,_negative_effect holds_over_chain: enables causally_upstream_of,_negative_effect is_a: acts_upstream_of ! acts upstream of is_a: acts_upstream_of_or_within,_negative_effect ! acts upstream of or within, negative effect created_by: cjm creation_date: 2018-01-26T23:53:22Z [Typedef] id: acts_upstream_of,_positive_effect name: acts upstream of, positive effect def: "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0004034 property_value: RO:0004049 RO:0002263 property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of,_positive_effect holds_over_chain: enables causally_upstream_of,_positive_effect is_a: acts_upstream_of ! acts upstream of is_a: acts_upstream_of_or_within,_positive_effect ! acts upstream of or within, positive effect created_by: cjm creation_date: 2018-01-26T23:53:14Z [Typedef] id: acts_upstream_of_or_within name: acts upstream of or within def: "c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term synonym: "affects" RELATED [] xref: RO:0002264 property_value: IAO:0000112 "A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway." xsd:string property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of_or_within holds_over_chain: enables causally_upstream_of_or_within is_a: causal_agent_in_process ! causal agent in process [Typedef] id: acts_upstream_of_or_within,_negative_effect name: acts upstream of or within, negative effect subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0004033 property_value: RO:0004050 RO:0002264 holds_over_chain: enables causally_upstream_of_or_within,_negative_effect is_a: acts_upstream_of_or_within ! acts upstream of or within created_by: cjm creation_date: 2018-01-26T23:49:51Z [Typedef] id: acts_upstream_of_or_within,_positive_effect name: acts upstream of or within, positive effect subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0004032 property_value: RO:0004049 RO:0002264 property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of_or_within,_positive_effect holds_over_chain: enables causally_upstream_of_or_within,_positive_effect is_a: acts_upstream_of_or_within ! acts upstream of or within created_by: cjm creation_date: 2018-01-26T23:49:30Z [Typedef] id: capable_of name: capable of namespace: external namespace: uberon def: "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " [] subset: ro-eco xref: RO:0002215 property_value: IAO:0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" xsd:string property_value: IAO:0000112 "osteoclast SubClassOf 'capable of' some 'bone resorption'" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "has function realized in" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20123131 property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/21208450 property_value: IAO:0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000015 ! process is_a: capable_of_part_of ! capable of part of is_a: functionally_related_to ! functionally related to expand_expression_to: "RO_0000053 some (RO_0000054 only ?Y)" [] [Typedef] id: capable_of_negatively_regulating name: capable of negatively regulating def: "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." [] xref: RO:0002597 property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: capable_of negatively_regulates is_a: capable_of_regulating ! capable of regulating [Typedef] id: capable_of_part_of name: capable of part of namespace: external namespace: uberon def: "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." [] xref: RO:0002216 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "has function in" xsd:string property_value: seeAlso "defining-property-chains-involving-reflexivity" property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ holds_over_chain: capable_of part_of {http://purl.obolibrary.org/obo/RO_0002582="true"} is_a: causal_agent_in_process ! causal agent in process is_a: functionally_related_to ! functionally related to expand_expression_to: "RO_0000053 some (RO_0000054 only (BFO_0000050 some ?Y))" [] [Typedef] id: capable_of_positively_regulating name: capable of positively regulating def: "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." [] xref: RO:0002598 property_value: IAO:0000112 "renin -> arteriolar smooth muscle contraction" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: capable_of positively_regulates is_a: capable_of_regulating ! capable of regulating [Typedef] id: capable_of_regulating name: capable of regulating def: "Holds between c and p if and only if c is capable of some activity a, and a regulates p." [] xref: RO:0002596 property_value: IAO:0000112 "pyrethroid -> growth" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: capable_of regulates is_a: causal_agent_in_process ! causal agent in process [Typedef] id: causal_agent_in_process name: causal agent in process def: "A relationship between a material entity and a process where the material entity has some causal role that influences the process" [] xref: RO:0002500 property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_a: causal_relation_between_material_entity_and_a_process ! causal relation between material entity and a process inverse_of: process_has_causal_agent ! process has causal agent [Typedef] id: causal_relation_between_entities name: causal relation between entities xref: RO:0002506 property_value: IAO:0000116 "The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: causally_related_to ! causally related to [Typedef] id: causal_relation_between_material_entity_and_a_process name: causal relation between material entity and a process def: "A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity." [] xref: RO:0002595 property_value: IAO:0000116 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations domain: BFO:0000040 ! material entity range: BFO:0000015 ! process is_a: causally_related_to ! causally related to [Typedef] id: causal_relation_between_processes name: causal relation between processes def: "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one of direct activation or direct inhibition. p may be upstream, downstream, part of or a container of q." [] def: "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q." [] xref: RO:0002501 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent is_a: causally_related_to ! causally related to [Typedef] id: causally_downstream_of name: causally downstream of namespace: external def: "inverse of upstream of" [] xref: RO:0002404 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: causally_downstream_of_or_within ! causally downstream of or within is_a: preceded_by ! preceded_by inverse_of: causally_upstream_of ! causally upstream of [Typedef] id: causally_downstream_of_or_within name: causally downstream of or within namespace: external def: "inverse of causally upstream of or within" [] subset: RO:0002259 xref: RO:0002427 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_transitive: true is_a: causal_relation_between_processes ! causal relation between processes [Typedef] id: causally_influenced_by name: causally influenced by xref: RO:0002559 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "causally influenced by (entity-centric)" xsd:string is_a: causal_relation_between_entities ! causal relation between entities inverse_of: causally_influences ! causally influences [Typedef] id: causally_influences name: causally influences def: "The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size)." [] xref: RO:0002566 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "Vasundra Touré" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "causally influences (entity-centric)" xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: causal_relation_between_entities ! causal relation between entities [Typedef] id: causally_related_to name: causally related to def: "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." [https://en.wikipedia.org/wiki/Causality] def: "This relation groups causal relations between material entities and causal relations between processes" [] xref: RO:0002410 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000116 "This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.\n\nTo define causal relations in an activity-flow type network, we make use of 3 primitives:\n\n * Temporal: how do the intervals of the two occurrents relate? \n * Is the causal relation regulatory?\n * Is the influence positive or negative\n\nThe first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.\n\nFor the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.\n\nFor the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.\n\nEach of these 3 primitives can be composed to yield a cross-product of different relation types." xsd:string property_value: IAO:0000116 "This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.\n\nTo define causal relations in an activity-flow type network, we make use of 3 primitives:\n\n * Temporal: how do the intervals of the two occurrents relate? \n * Is the causal relation regulatory?\n * Is the influence positive or negative?\n\nThe first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.\n\nFor the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.\n\nFor the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.\n\nEach of these 3 primitives can be composed to yield a cross-product of different relation types." xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string [Typedef] id: causally_upstream_of name: causally upstream of namespace: external def: "p is causally upstream of q if and only if p precedes q and p and q are linked in a causal chain" [] def: "p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002411 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_transitive: true is_a: causally_upstream_of_or_within ! causally upstream of or within is_a: precedes ! precedes [Typedef] id: causally_upstream_of,_negative_effect name: causally upstream of, negative effect namespace: external def: "p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q." [] comment: holds between x and y if and only if x is causally upstream of y and the progression of x decreases the frequency, rate or extent of y subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002305 property_value: http://purl.org/dc/terms/creator "cjm" xsd:string property_value: RO:0004050 RO:0002411 is_a: causally_upstream_of ! causally upstream of is_a: causally_upstream_of_or_within,_negative_effect ! causally upstream of or within, negative effect [Typedef] id: causally_upstream_of,_positive_effect name: causally upstream of, positive effect namespace: external def: "p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q." [] comment: holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002304 property_value: http://purl.org/dc/terms/creator "cjm" xsd:string property_value: RO:0004049 RO:0002411 is_a: causally_upstream_of ! causally upstream of is_a: causally_upstream_of_or_within,_positive_effect ! causally upstream of or within, positive effect [Typedef] id: causally_upstream_of_or_within name: causally upstream of or within namespace: external def: "p 'causally upstream or within' q iff (1) the end of p is before the end of q and (2) the execution of p exerts some causal influence over the outputs of q; i.e. if p was abolished or the outputs of p were to be modified, this would necessarily affect q." [] def: "p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q." [] synonym: "affects" RELATED [] xref: RO:0002418 property_value: IAO:0000116 "We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "influences (processual)" xsd:string is_transitive: true is_a: causal_relation_between_processes ! causal relation between processes inverse_of: causally_downstream_of_or_within ! causally downstream of or within [Typedef] id: causally_upstream_of_or_within,_negative_effect name: causally upstream of or within, negative effect xref: RO:0004046 property_value: RO:0004050 RO:0002418 is_a: causally_upstream_of_or_within ! causally upstream of or within created_by: cjm creation_date: 2018-03-13T23:55:05Z [Typedef] id: causally_upstream_of_or_within,_positive_effect name: causally upstream of or within, positive effect xref: RO:0004047 property_value: RO:0004049 RO:0002418 is_a: causally_upstream_of_or_within ! causally upstream of or within created_by: cjm creation_date: 2018-03-13T23:55:19Z [Typedef] id: characteristic_of name: characteristic of name: inheres in def: "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence." [] def: "a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence" [] comment: Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. xref: RO:0000052 property_value: IAO:0000111 "inheres in" xsd:string property_value: IAO:0000112 "this fragility inheres in this vase" xsd:string property_value: IAO:0000112 "this fragility is a characteristic of this vase" xsd:string property_value: IAO:0000112 "this red color inheres in this apple" xsd:string property_value: IAO:0000112 "this red color is a characteristic of this apple" xsd:string property_value: IAO:0000116 "A dependent inheres in its bearer at all times for which the dependent exists." xsd:string property_value: IAO:0000118 "inheres_in" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 is_functional: true is_a: characteristic_of_part_of ! inheres in part of inverse_of: has_characteristic ! bearer of [Typedef] id: characteristic_of_part_of name: characteristic of part of name: inheres in part of def: "q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w." [] def: "q inheres in part of w if and only if there exists some p such that q inheres in p and p part of w." [] xref: RO:0002314 property_value: IAO:0000116 "Because part_of is transitive, inheres in is a sub-relation of characteristic of part of" xsd:string property_value: IAO:0000116 "Because part_of is transitive, inheres in is a sub-relation of inheres in part of" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "inheres in part of" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20064205 property_value: RO:0001900 RO:0001901 property_value: seeAlso "defining-property-chains-involving-reflexivity" property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ holds_over_chain: characteristic_of part_of {http://purl.obolibrary.org/obo/RO_0002582="true"} is_a: depends_on ! depends on transitive_over: part_of ! part_of [Typedef] id: dc-description name: description namespace: uberon xref: http://purl.org/dc/elements/1.1/description is_metadata_tag: true [Typedef] id: dc-title name: title namespace: uberon xref: http://purl.org/dc/elements/1.1/title is_metadata_tag: true [Typedef] id: dcterms-license name: license namespace: uberon xref: http://purl.org/dc/terms/license is_metadata_tag: true [Typedef] id: decreased_in_magnitude_relative_to name: decreased_in_magnitude_relative_to namespace: quality def: "q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [PATOC:CJM] comment: This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'. domain: PATO:0000001 ! quality range: PATO:0000001 ! quality is_transitive: true is_a: different_in_magnitude_relative_to ! different_in_magnitude_relative_to [Typedef] id: depends_on name: depends on xref: RO:0002502 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: seeAlso BFO:0000169 [Typedef] id: developmentally_related_to name: developmentally related to def: "A relationship that holds between entities participating in some developmental process (GO:0032502)" [] xref: RO:0002324 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development" xsd:string [Typedef] id: device_utilizes_material name: device utilizes material def: "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." [] synonym: "utilizes" BROAD [] xref: RO:0017001 property_value: IAO:0000112 "A diagnostic testing device utilizes a specimen." xsd:string property_value: IAO:0000117 https://orcid.org/0000-0001-9625-1899 xsd:string property_value: IAO:0000117 https://orcid.org/0000-0003-2620-0345 xsd:string property_value: IAO:0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." xsd:string property_value: IAO:0000232 "See github ticket https://github.com/oborel/obo-relations/issues/497" xsd:string holds_over_chain: capable_of has_input creation_date: 2021-11-08T12:00:00Z [Typedef] id: different_in_magnitude_relative_to name: different_in_magnitude_relative_to namespace: quality def: "q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [PATOC:CJM] domain: PATO:0000001 ! quality range: PATO:0000001 ! quality [Typedef] id: directly_negatively_regulated_by name: directly negatively regulated by def: "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." [GOC:dos] xref: RO:0002023 is_a: directly_regulated_by ! directly regulated by inverse_of: directly_negatively_regulates ! directly negatively regulates created_by: dos creation_date: 2017-09-17T13:52:38Z [Typedef] id: directly_negatively_regulates name: directly negatively regulates def: "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q." [] def: "Process(P1) directly negatively regulates process(P2) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P1 directly negatively regulates P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002630 property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "directly negatively regulates (process to process)" xsd:string property_value: RO:0004050 RO:0002578 is_a: directly_regulates ! directly regulates is_a: negatively_regulates ! negatively regulates [Typedef] id: directly_negatively_regulates_activity_of name: directly negatively regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. \nFor example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B." [] synonym: "molecularly decreases activity of" EXACT [] xref: RO:0002449 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "Vasundra Touré" xsd:string property_value: IAO:0000118 "directly inhibits" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: directly_regulates_activity_of ! directly regulates activity of [Typedef] id: directly_positively_regulated_by name: directly positively regulated by def: "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." [GOC:dos] xref: RO:0002024 is_a: directly_regulated_by ! directly regulated by inverse_of: directly_positively_regulates ! directly positively regulates created_by: dos creation_date: 2017-09-17T13:52:47Z [Typedef] id: directly_positively_regulates name: directly positively regulates def: "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q." [] def: "Process(P1) directly postively regulates process(P2) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P1 directly positively regulates P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002629 property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "directly positively regulates (process to process)" xsd:string property_value: RO:0004049 RO:0002578 is_a: directly_regulates ! directly regulates is_a: positively_regulates ! positively regulates [Typedef] id: directly_positively_regulates_activity_of name: directly positively regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. \nFor example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B." [] synonym: "molecularly increases activity of" EXACT [] xref: RO:0002450 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "Vasundra Touré" xsd:string property_value: IAO:0000118 "directly activates" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: directly_regulates_activity_of ! directly regulates activity of [Typedef] id: directly_regulated_by name: directly regulated by comment: Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. {xref="GOC:dos"} xref: RO:0002022 is_a: regulated_by ! regulated by inverse_of: directly_regulates ! directly regulates created_by: dos creation_date: 2017-09-17T13:52:24Z [Typedef] id: directly_regulates name: directly regulates def: "p directly regulates q iff p is immediately causally upstream of q and p regulates q." [] def: "Process(P1) directly regulates process(P2) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002578 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "directly regulates (processual)" xsd:string property_value: RO:0002575 RO:0002211 is_a: immediately_causally_upstream_of ! immediately causally upstream of is_a: regulates ! regulates [Typedef] id: directly_regulates_activity_of name: directly regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B.\n\nA and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B." [] synonym: "molecularly controls" EXACT [] xref: RO:0002448 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "Vasundra Touré" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: molecularly_interacts_with ! molecularly interacts with is_a: regulates_activity_of ! regulates activity of [Typedef] id: disposition_of name: disposition of def: "inverse of has disposition" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. subset: RO:0002259 xref: RO:0000092 is_a: characteristic_of ! inheres in [Typedef] id: enabled_by name: enabled by def: "inverse of enables" [] subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002333 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: functionally_related_to ! functionally related to is_a: has_participant ! has participant [Typedef] id: enables name: enables def: "c enables p iff c is capable of p and c acts to execute p." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term xref: RO:0002327 property_value: IAO:0000112 "a particular instances of akt-2 enables some instance of protein kinase activity" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "catalyzes" xsd:string property_value: IAO:0000118 "executes" xsd:string property_value: IAO:0000118 "has" xsd:string property_value: IAO:0000118 "is catalyzing" xsd:string property_value: IAO:0000118 "is executing" xsd:string property_value: IAO:0000232 "This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized." xsd:string property_value: IAO:0000232 "This relation is currently used experimentally by the Gene Ontology Consortium. It may not be stable and may be obsoleted at some future time." xsd:string is_a: capable_of ! capable of inverse_of: enabled_by ! enabled by transitive_over: has_component_activity ! has component activity transitive_over: has_part ! has_part [Typedef] id: enables_subfunction name: enables subfunction def: "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." [] xref: RO:0004031 holds_over_chain: enables has_part is_a: functionally_related_to ! functionally related to created_by: cjm creation_date: 2018-01-25T23:20:13Z [Typedef] id: ends name: ends namespace: uberon def: "inverse of ends with" [] subset: ro-eco xref: RO:0002229 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: part_of ! part_of is_a: temporally_related_to ! temporally related to inverse_of: ends_with ! ends with [Typedef] id: ends_after name: ends after comment: X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) subset: ro-eco xref: RO:0002086 property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string holds_over_chain: RO:0002093 preceded_by is_transitive: true is_a: temporally_related_to ! temporally related to [Typedef] id: ends_with name: ends with namespace: external namespace: uberon def: "x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] subset: ro-eco xref: RO:0002230 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "finished by" xsd:string is_transitive: true is_a: has_part ! has_part is_a: temporally_related_to ! temporally related to [Typedef] id: evolutionarily_related_to name: evolutionarily related to def: "A relationship that holds via some environmental process" [] xref: RO:0002320 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the process of evolution." xsd:string [Typedef] id: formed_as_result_of name: formed as result of xref: RO:0002354 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: output_of ! output of [Typedef] id: function_of name: function of def: "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. xref: RO:0000079 property_value: IAO:0000112 "this catalysis function is a function of this enzyme" xsd:string property_value: IAO:0000116 "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists." xsd:string property_value: IAO:0000118 "function_of" xsd:string property_value: IAO:0000118 "is function of" xsd:string domain: BFO:0000034 ! function is_a: characteristic_of ! inheres in inverse_of: has_function ! has function [Typedef] id: functionally_related_to name: functionally related to namespace: uberon def: "A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities." [] xref: RO:0002328 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "This is a grouping relation that collects relations used for the purpose of connecting structure and function" xsd:string [Typedef] id: has_characteristic name: bearer of name: has characteristic namespace: external namespace: uberon def: "a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence" [] def: "Inverse of characteristic_of" [] xref: RO:0000053 property_value: IAO:0000111 "bearer of" xsd:string property_value: IAO:0000112 "this apple is bearer of this red color" xsd:string property_value: IAO:0000112 "this vase is bearer of this fragility" xsd:string property_value: IAO:0000116 "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist." xsd:string property_value: IAO:0000118 "bearer_of" xsd:string property_value: IAO:0000118 "is bearer of" xsd:string property_value: RO:0001900 RO:0001901 range: BFO:0000020 ! specifically dependent continuant is_inverse_functional: true [Typedef] id: has_component name: has component namespace: external namespace: uberon def: "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] subset: ro-eco xref: RO:0002180 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." xsd:string property_value: IAO:0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit." xsd:string property_value: RO:0001900 RO:0001901 property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:Componency is_a: has_part ! has_part [Typedef] id: has_component_activity name: has component activity comment: A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. xref: RO:0002017 is_a: has_component_process ! has component process created_by: dos creation_date: 2017-05-24T09:44:33Z [Typedef] id: has_component_process name: has component process def: "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] xref: RO:0002018 domain: BFO:0000015 ! process range: BFO:0000015 ! process is_a: has_component ! has component created_by: dos creation_date: 2017-05-24T09:49:21Z [Typedef] id: has_disposition name: has disposition def: "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence" [] xref: RO:0000091 domain: BFO:0000004 ! independent continuant range: BFO:0000016 ! disposition is_a: has_characteristic ! bearer of inverse_of: disposition_of ! disposition of [Typedef] id: has_effector_activity name: has effector activity def: "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." [GOC:dos] comment: This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. xref: RO:0002025 is_functional: true is_a: has_component_activity ! has component activity is_a: regulates ! regulates created_by: dos creation_date: 2017-09-22T14:14:36Z [Typedef] id: has_function name: has function def: "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence" [] xref: RO:0000085 property_value: IAO:0000112 "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)" xsd:string property_value: IAO:0000116 "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists." xsd:string property_value: IAO:0000118 "has_function" xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000034 ! function is_a: has_characteristic ! bearer of [Typedef] id: has_functional_parent name: has functional parent namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: has_input name: has input namespace: external def: "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam subset: ro-eco xref: RO:0002233 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "consumes" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl domain: BFO:0000015 ! process range: BFO:0000040 ! material entity holds_over_chain: starts_with has_input is_a: has_participant ! has participant inverse_of: input_of ! input of [Typedef] id: has_negative_regulatory_component_activity name: has negative regulatory component activity namespace: external def: "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B." [] comment: By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. xref: RO:0002014 is_a: has_regulatory_component_activity ! has regulatory component activity is_a: negatively_regulated_by ! negatively regulated by created_by: dos creation_date: 2017-05-24T09:31:01Z [Typedef] id: has_ontology_root_term name: has ontology root term name: preferred_root namespace: uberon xref: IAO:0000700 is_metadata_tag: true [Typedef] id: has_output name: has output namespace: external def: "p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam subset: ro-eco xref: RO:0002234 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "produces" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl holds_over_chain: ends_with has_output is_a: has_participant ! has participant inverse_of: output_of ! output of [Typedef] id: has_parent_hydride name: has parent hydride namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: has_part name: has part name: has_part namespace: chebi_ontology namespace: external namespace: quality namespace: source namespace: spatial namespace: uberon def: "a core relation that holds between a whole and its part" [] def: "Q1 has_part Q2 if and only if: every instance of Q1 is a quality_of an entity that has_quality some Q2." [PATOC:CJM] comment: We use the has_part relation to relate complex qualities to more primitive ones. A complex quality is a collection of qualities. The complex quality cannot exist without the sub-qualities. For example, the quality 'swollen' necessarily comes with the qualities of 'protruding' and 'increased size'. subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: BFO:0000051 property_value: IAO:0000111 "has part" xsd:string property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime" xsd:string property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string property_value: IAO:0000118 "has_part" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 is_cyclic: false is_reflexive: true is_transitive: true is_a: overlaps ! overlaps [Typedef] id: has_part_structure_that_is_capable_of name: has part structure that is capable of def: "s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p" [] xref: RO:0002584 property_value: IAO:0000112 "gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string holds_over_chain: has_part capable_of is_a: causal_relation_between_material_entity_and_a_process ! causal relation between material entity and a process is_a: functionally_related_to ! functionally related to [Typedef] id: has_participant name: has participant name: has_participant namespace: external def: "a relation between a process and a continuant, in which the continuant is somehow involved in the process" [] xref: RO:0000057 property_value: http://purl.org/dc/elements/1.1/source http://www.obofoundry.org/ro/#OBO_REL:has_participant xsd:string property_value: IAO:0000111 "has participant" xsd:string property_value: IAO:0000112 "this blood coagulation has participant this blood clot" xsd:string property_value: IAO:0000112 "this investigation has participant this investigator" xsd:string property_value: IAO:0000112 "this process has participant this input material (or this output material)" xsd:string property_value: IAO:0000116 "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time." xsd:string property_value: IAO:0000118 "has_participant" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl domain: BFO:0000003 ! occurrent range: BFO:0000002 ! continuant holds_over_chain: has_part has_participant [Typedef] id: has_positive_regulatory_component_activity name: has positive regulatory component activity def: "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B." [] comment: By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. xref: RO:0002015 is_a: has_regulatory_component_activity ! has regulatory component activity is_a: positively_regulated_by ! positively regulated by created_by: dos creation_date: 2017-05-24T09:31:17Z [Typedef] id: has_primary_input_or_output name: has primary input or output namespace: external def: "p 'has primary input ot output' c iff either (a) p 'has primary input' c or (b) p 'has primary output' c." [] subset: http://purl.obolibrary.org/obo/valid_for_go_ontology xref: RO:0004007 is_a: has_participant ! has participant created_by: cjm creation_date: 2018-12-13T11:26:17Z [Typedef] id: has_primary_output name: has primary output namespace: external def: "p has primary output c if (a) p has output c and (b) the goal of process is to modify, produce, or transform c." [GOC:cjm, GOC:dph, GOC:kva, GOC:pt] {comment="PMID:27812932"} subset: http://purl.obolibrary.org/obo/valid_for_go_ontology xref: RO:0004008 is_a: has_output ! has output is_a: has_primary_input_or_output ! has primary input or output created_by: cjm creation_date: 2018-12-13T11:26:32Z [Typedef] id: has_quality name: has quality namespace: uberon def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] xref: RO:0000086 property_value: IAO:0000112 "this apple has quality this red color" xsd:string property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string property_value: IAO:0000118 "has_quality" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl range: BFO:0000019 ! quality is_a: has_characteristic ! bearer of [Typedef] id: has_regulatory_component_activity name: has regulatory component activity namespace: external def: "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." [] xref: RO:0002013 is_a: has_component_activity ! has component activity is_a: regulated_by ! regulated by created_by: dos creation_date: 2017-05-24T09:30:46Z [Typedef] id: has_role name: has role namespace: chebi_ontology def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] xref: RO:0000087 property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string property_value: IAO:0000118 "has_role" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl domain: BFO:0000004 ! independent continuant range: BFO:0000023 ! role is_cyclic: false is_transitive: false is_a: has_characteristic ! bearer of [Typedef] id: helper_property_(not_for_use_in_curation) name: helper property (not for use in curation) xref: RO:0002464 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning." xsd:string [Typedef] id: immediately_causally_downstream_of name: immediately causally downstream of namespace: external xref: RO:0002405 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: causally_downstream_of ! causally downstream of is_a: immediately_preceded_by ! immediately preceded by inverse_of: immediately_causally_upstream_of ! immediately causally upstream of [Typedef] id: immediately_causally_upstream_of name: immediately causally upstream of namespace: external def: "p is immediately causally upstream of q iff both (a) p immediately precedes q and (b) p is causally upstream of q. In addition, the output of p must be an input of q." [] def: "p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q." [] xref: RO:0002412 property_value: IAO:0000114 IAO:0000428 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0002575 RO:0002411 is_a: causally_upstream_of ! causally upstream of is_a: immediately_precedes ! immediately precedes [Typedef] id: immediately_preceded_by name: immediately preceded by name: immediately_preceded_by namespace: external namespace: uberon def: "X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)" [] comment: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) synonym: "directly preceded by" EXACT [] synonym: "is directly preceded by" EXACT [] synonym: "is immediately preceded by" EXACT [SIO:000251] synonym: "starts_at_end_of" EXACT [] xref: RO:0002087 property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000118 "starts_at_end_of" xsd:string property_value: seeAlso SIO:000251 property_value: UBPROP:0000001 "A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251]." xsd:string {source="SIO:000251"} holds_over_chain: starts_with ends_with is_a: preceded_by ! preceded_by inverse_of: immediately_precedes ! immediately precedes [Typedef] id: immediately_precedes name: immediately precedes namespace: external comment: X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) subset: ro-eco xref: RO:0002090 property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string property_value: IAO:0000118 "ends_at_start_of" xsd:string property_value: IAO:0000118 "meets" xsd:string property_value: RO:0002575 BFO:0000063 holds_over_chain: ends_with starts_with is_a: precedes ! precedes [Typedef] id: in_lateral_side_of name: in lateral side of namespace: spatial namespace: uberon def: "X in lateral side of Y <=> if X is in left side of Y or X is in right side of Y. X is often, but not always a paired structure" [UBERON:cjm] xref: BSPO:0000126 property_value: seeAlso https://github.com/obophenotype/uberon/issues/2453 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern xsd:anyURI is_a: part_of ! part_of [Typedef] id: in_left_side_of name: in left side of namespace: spatial namespace: uberon def: "X in left side of Y <=> if Y is subdivided into two left and right portions, X is part of the left portion." [BSPO:PATO_mtg_2009] xref: BSPO:0000120 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern xsd:anyURI is_a: in_lateral_side_of ! in lateral side of [Typedef] id: in_right_side_of name: in right side of namespace: spatial namespace: uberon def: "X in right side of Y <=> if Y is subdivided into two left and right portions, X is part of the right portion." [BSPO:PATO_mtg_2009] xref: BSPO:0000121 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern xsd:anyURI is_a: in_lateral_side_of ! in lateral side of [Typedef] id: in_taxon name: in taxon namespace: uberon def: "x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed." [] comment: Connects a biological entity to its taxon of origin. subset: ro-eco xref: RO:0002162 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "Jennifer Deegan" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/17921072 property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20973947 property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Taxon-constraints range: CARO:0001010 ! organism or virus or viroid holds_over_chain: capable_of in_taxon holds_over_chain: has_part in_taxon holds_over_chain: overlaps in_taxon holds_over_chain: part_of in_taxon holds_over_chain: results_in_developmental_progression_of in_taxon is_a: evolutionarily_related_to ! evolutionarily related to [Typedef] id: increased_in_magnitude_relative_to name: increased_in_magnitude_relative_to namespace: quality def: "q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale." [PATOC:CJM] comment: This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'. domain: PATO:0000001 ! quality range: PATO:0000001 ! quality is_transitive: true is_a: different_in_magnitude_relative_to ! different_in_magnitude_relative_to [Typedef] id: indirectly_causally_upstream_of name: indirectly causally upstream of def: "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." [] xref: RO:0012011 is_a: causally_upstream_of ! causally upstream of created_by: pg creation_date: 2022-09-26T06:07:17Z [Typedef] id: indirectly_negatively_regulates name: indirectly negatively regulates def: "p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q." [] xref: RO:0002409 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "indirectly inhibits" xsd:string property_value: RO:0002579 RO:0002212 holds_over_chain: directly_negatively_regulates directly_negatively_regulates holds_over_chain: directly_negatively_regulates indirectly_negatively_regulates is_transitive: true is_a: indirectly_regulates ! indirectly regulates is_a: negatively_regulates ! negatively regulates transitive_over: directly_negatively_regulates ! directly negatively regulates [Typedef] id: indirectly_positively_regulates name: indirectly positively regulates def: "p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q." [] xref: RO:0002407 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "indirectly activates" xsd:string property_value: RO:0002579 RO:0002213 holds_over_chain: directly_positively_regulates directly_positively_regulates holds_over_chain: directly_positively_regulates indirectly_positively_regulates holds_over_chain: indirectly_negatively_regulates indirectly_negatively_regulates is_transitive: true is_a: indirectly_regulates ! indirectly regulates is_a: positively_regulates ! positively regulates transitive_over: directly_positively_regulates ! directly positively regulates [Typedef] id: indirectly_regulates name: indirectly regulates def: "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." [] xref: RO:0012012 is_a: indirectly_causally_upstream_of ! indirectly causally upstream of is_a: regulates ! regulates created_by: pg creation_date: 2022-09-26T06:08:01Z [Typedef] id: input_of name: input of namespace: uberon def: "inverse of has input" [] subset: ro-eco subset: RO:0002259 xref: RO:0002352 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl is_a: functionally_related_to ! functionally related to is_a: participates_in ! participates in [Typedef] id: interaction_relation_helper_property name: interaction relation helper property xref: RO:0002563 property_value: http://xmlns.com/foaf/0.1/page https://github.com/oborel/obo-relations/wiki/InteractionRelations xsd:anyURI property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:N-Ary_Relation_Pattern_%28OWL_2%29 property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ xsd:anyURI is_a: helper_property_(not_for_use_in_curation) ! helper property (not for use in curation) [Typedef] id: interacts_with name: interacts with namespace: source def: "A relationship that holds between two entities in which the processes executed by the two entities are causally connected." [] subset: ro-eco synonym: "in pairwise interaction with" EXACT [] xref: RO:0002434 property_value: closeMatch http://purl.obolibrary.org/obo/MI_0914 xsd:anyURI property_value: http://xmlns.com/foaf/0.1/page https://github.com/oborel/obo-relations/wiki/InteractionRelations xsd:anyURI property_value: IAO:0000116 "Considering relabeling as 'pairwise interacts with'" xsd:anyURI property_value: IAO:0000116 "This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact." xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules." xsd:string property_value: seeAlso http://purl.obolibrary.org/obo/MI_0914 xsd:anyURI property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ xsd:anyURI domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_symmetric: true [Typedef] id: interacts_with_an_exposure_receptor_via name: interacts_with_an_exposure_receptor_via namespace: source [Typedef] id: interacts_with_an_exposure_stressor_via name: interacts_with_an_exposure stressor_via namespace: source [Typedef] id: involved_in name: involved in def: "c involved_in p if and only if c enables some process p', and p' is part of p" [] xref: RO:0002331 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "actively involved in" xsd:string property_value: IAO:0000118 "enables part of" xsd:string property_value: seeAlso Involved:in holds_over_chain: enables part_of is_a: involved_in_or_involved_in_regulation_of ! involved in or involved in regulation of is_a: participates_in ! participates in transitive_over: part_of ! part_of [Typedef] id: involved_in_negative_regulation_of name: involved in negative regulation of def: "c involved in regulation of p if c is involved in some p' and p' negatively regulates some p" [] xref: RO:0002430 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0004050 RO:0002428 holds_over_chain: enables negatively_regulates holds_over_chain: involved_in negatively_regulates is_a: involved_in_regulation_of ! involved in regulation of [Typedef] id: involved_in_or_involved_in_regulation_of name: involved in or involved in regulation of def: "c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p" [] xref: RO:0002431 property_value: IAO:0000116 "OWL does not allow defining object properties via a Union" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "involved in or reguates" xsd:string is_a: acts_upstream_of_or_within ! acts upstream of or within is_a: causal_agent_in_process ! causal agent in process is_a: functionally_related_to ! functionally related to [Typedef] id: involved_in_positive_regulation_of name: involved in positive regulation of def: "c involved in regulation of p if c is involved in some p' and p' positively regulates some p" [] xref: RO:0002429 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: RO:0004049 RO:0002428 holds_over_chain: enables positively_regulates holds_over_chain: involved_in positively_regulates is_a: involved_in_regulation_of ! involved in regulation of [Typedef] id: involved_in_regulation_of name: involved in regulation of def: "c involved in regulation of p if c is involved in some p' and p' regulates some p" [] xref: RO:0002428 property_value: IAO:0000117 "Chris Mungall" xsd:string holds_over_chain: enables regulates holds_over_chain: involved_in regulates is_a: acts_upstream_of ! acts upstream of is_a: involved_in_or_involved_in_regulation_of ! involved in or involved in regulation of [Typedef] id: is_conjugate_acid_of name: is conjugate acid of namespace: chebi_ontology is_cyclic: true is_transitive: false inverse_of: is_conjugate_base_of ! is conjugate base of [Typedef] id: is_conjugate_base_of name: is conjugate base of namespace: chebi_ontology is_cyclic: true is_transitive: false [Typedef] id: is_enantiomer_of name: is enantiomer of namespace: chebi_ontology is_cyclic: true is_transitive: false [Typedef] id: is_kinase_activity name: is kinase activity xref: RO:0002481 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: molecular_interaction_relation_helper_property ! molecular interaction relation helper property [Typedef] id: is_substituent_group_from name: is substituent group from namespace: chebi_ontology is_cyclic: false is_transitive: false [Typedef] id: mereotopologically_related_to name: mereotopologically related to def: "A mereological relationship or a topological relationship" [] xref: RO:0002323 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships" xsd:string property_value: RO:0001900 RO:0001901 [Typedef] id: molecular_interaction_relation_helper_property name: molecular interaction relation helper property xref: RO:0002564 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: interaction_relation_helper_property ! interaction relation helper property [Typedef] id: molecularly_interacts_with name: molecularly interacts with def: "An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other." [] xref: RO:0002436 property_value: closeMatch http://purl.obolibrary.org/obo/MI_0915 xsd:anyURI property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "binds" xsd:string property_value: IAO:0000118 "molecularly binds with" xsd:string property_value: seeAlso ECO:0000353 property_value: seeAlso http://purl.obolibrary.org/obo/MI_0915 xsd:anyURI is_symmetric: true is_a: interacts_with ! interacts with [Typedef] id: negatively_regulated_by name: negatively regulated by namespace: external def: "inverse of negatively regulates" [] subset: RO:0002259 xref: RO:0002335 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: regulated_by ! regulated by [Typedef] id: negatively_regulates name: negatively regulates namespace: external def: "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q." [] def: "Process(P1) negatively regulates process(P2) iff: P1 terminates P2, or P1 descreases the the frequency of initiation of P2 or the magnitude or rate of output of P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002212 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "negatively regulates (process to process)" xsd:string property_value: RO:0004050 RO:0002211 holds_over_chain: ends_with negatively_regulates is_a: causally_upstream_of,_negative_effect ! causally upstream of, negative effect is_a: regulates ! regulates inverse_of: negatively_regulated_by ! negatively regulated by [Typedef] id: negatively_regulates_characteristic name: negatively regulates characteristic namespace: gene_ontology def: "A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C." [] xref: RO:0019002 property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 holds_over_chain: negatively_regulates positively_regulates_characteristic holds_over_chain: positively_regulates negatively_regulates_characteristic is_a: regulates_characteristic ! regulates characteristic [Typedef] id: only_in_taxon name: only in taxon namespace: uberon def: "x only in taxon y if and only if x is in taxon y, and there is no other organism z such that y!=z a and x is in taxon z." [] xref: RO:0002160 property_value: IAO:0000112 "lactation SubClassOf 'only in taxon' some 'Mammalia'" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "The original intent was to treat this as a macro that expands to 'in taxon' only ?Y - however, this is not necessary if we instead have supplemental axioms that state that each pair of sibling tax have a disjointness axiom using the 'in taxon' property - e.g.\n\n 'in taxon' some Eukaryota DisjointWith 'in taxon' some Eubacteria" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/17921072 property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20973947 property_value: seeAlso https://github.com/obophenotype/uberon/wiki/Taxon-constraints is_a: in_taxon ! in taxon [Typedef] id: output_of name: output of namespace: external namespace: uberon def: "inverse of has output" [] subset: ro-eco subset: RO:0002259 xref: RO:0002353 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl is_a: functionally_related_to ! functionally related to is_a: participates_in ! participates in [Typedef] id: overlaps name: overlaps namespace: external namespace: spatial namespace: uberon def: "x overlaps y if and only if there exists some z such that x has part z and z part of y" [] def: "x overlaps y iff they have some part in common." [BSPO:cjm] comment: "(forall (x y) (iff (overlaps x y) (exists (z) (and (part of z x) (part of z y)))))" CLIF [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam subset: ro-eco xref: RO:0002131 property_value: IAO:0000114 IAO:0000125 property_value: RO:0001900 RO:0001901 holds_over_chain: has_part overlaps holds_over_chain: has_part part_of {http://purl.obolibrary.org/obo/RO_0002582="true"} holds_over_chain: part_of part_of is_symmetric: true is_a: mereotopologically_related_to ! mereotopologically related to transitive_over: part_of ! part_of expand_expression_to: "http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)" [] [Typedef] id: part_of name: part of name: part_of namespace: experimental_condition_ontology namespace: external namespace: quality namespace: source namespace: spatial namespace: uberon def: "a core relation that holds between a part and its whole" [] def: "For continuants: C part_of C' if and only if: given any c that instantiates C at a time t, there is some c' such that c' instantiates C' at time t, and c *part_of* c' at t. For processes: P part_of P' if and only if: given any p that instantiates P at a time t, there is some p' such that p' instantiates P' at time t, and p *part_of* p' at t. (Here *part_of* is the instance-level part-relation.)" [PMID:15892874] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: BFO:0000050 property_value: IAO:0000111 "is part of" xsd:string property_value: IAO:0000112 "my brain is part of my body (continuant parthood, two material entities)" xsd:string property_value: IAO:0000112 "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)" xsd:string property_value: IAO:0000112 "this day is part of this year (occurrent parthood)" xsd:string property_value: IAO:0000116 "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other." xsd:string property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime" xsd:string property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)\n\nA continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'." xsd:string property_value: IAO:0000118 "part_of" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl property_value: RO:0001900 RO:0001901 property_value: RO:0040042 BFO:0000002 property_value: RO:0040042 BFO:0000003 property_value: RO:0040042 BFO:0000004 property_value: RO:0040042 BFO:0000017 property_value: RO:0040042 BFO:0000019 property_value: RO:0040042 BFO:0000020 property_value: RO:0040042 BFO:0000031 property_value: seeAlso http://ontologydesignpatterns.org/wiki/Community:Parts_and_Collections property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:PartOf property_value: seeAlso http://www.obofoundry.org/ro/#OBO_REL:part_of xsd:string is_transitive: true is_a: overlaps ! overlaps inverse_of: has_part ! has_part [Typedef] id: part_of_structure_that_is_capable_of name: part of structure that is capable of def: "this relation holds between c and p when c is part of some c', and c' is capable of p." [] xref: RO:0002329 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "false" xsd:boolean holds_over_chain: part_of capable_of {http://purl.obolibrary.org/obo/RO_0002581="true"} is_a: functionally_related_to ! functionally related to [Typedef] id: participates_in name: participates in name: participates_in namespace: external namespace: uberon def: "a relation between a continuant and a process, in which the continuant is somehow involved in the process" [] xref: RO:0000056 property_value: IAO:0000111 "participates in" xsd:string property_value: IAO:0000112 "this blood clot participates in this blood coagulation" xsd:string property_value: IAO:0000112 "this input material (or this output material) participates in this process" xsd:string property_value: IAO:0000112 "this investigator participates in this investigation" xsd:string property_value: IAO:0000118 "participates_in" xsd:string property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl property_value: IAO:0000412 http://purl.obolibrary.org/obo/ro.owl domain: BFO:0000002 ! continuant range: BFO:0000003 ! occurrent inverse_of: has_participant ! has participant [Typedef] id: phosphorylates name: phosphorylates xref: RO:0002447 property_value: IAO:0000116 "Axiomatization to GO to be added later" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y." xsd:string is_a: molecularly_interacts_with ! molecularly interacts with [Typedef] id: positively_regulated_by name: positively regulated by namespace: external def: "inverse of positively regulates" [] subset: RO:0002259 xref: RO:0002336 property_value: IAO:0000117 "Chris Mungall" xsd:string is_a: regulated_by ! regulated by [Typedef] id: positively_regulates name: positively regulates namespace: external def: "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q." [] def: "Process(P1) postively regulates process(P2) iff: P1 initiates P2, or P1 increases the the frequency of initiation of P2 or the magnitude or rate of output of P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002213 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000589 "positively regulates (process to process)" xsd:string property_value: RO:0004049 RO:0002211 holds_over_chain: ends_with positively_regulates holds_over_chain: negatively_regulates negatively_regulates is_transitive: true is_a: causally_upstream_of,_positive_effect ! causally upstream of, positive effect is_a: regulates ! regulates inverse_of: positively_regulated_by ! positively regulated by [Typedef] id: positively_regulates_characteristic name: positively regulates characteristic namespace: gene_ontology def: "A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C." [] xref: RO:0019001 property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 holds_over_chain: positively_regulates positively_regulates_characteristic is_a: regulates_characteristic ! regulates characteristic [Typedef] id: preceded_by name: preceded by name: preceded_by namespace: external namespace: uberon def: "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] def: "X preceded_by Y iff: end(Y) before_or_simultaneous_with start(X)" [] subset: ro-eco synonym: "is preceded by" EXACT [SIO:000249] synonym: "takes place after" EXACT [Allen:precedes] xref: BFO:0000062 property_value: http://purl.org/dc/elements/1.1/source http://www.obofoundry.org/ro/#OBO_REL:preceded_by xsd:string property_value: IAO:0000111 "preceded by" xsd:string property_value: IAO:0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other." xsd:string property_value: IAO:0000118 "is preceded by" xsd:string property_value: IAO:0000118 "preceded_by" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent holds_over_chain: part_of preceded_by holds_over_chain: RO:0002091 preceded_by is_transitive: true is_a: ends_after ! ends after inverse_of: precedes ! precedes [Typedef] id: precedes name: precedes namespace: external namespace: uberon def: "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] subset: ro-eco xref: BFO:0000063 property_value: IAO:0000111 "precedes" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent holds_over_chain: part_of precedes is_transitive: true is_a: temporally_related_to ! temporally related to [Typedef] id: process_has_causal_agent name: process has causal agent namespace: external def: "Inverse of 'causal agent in process'" [] xref: RO:0002608 property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_a: causally_related_to ! causally related to [Typedef] id: quality_of name: quality of def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. xref: RO:0000080 property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string property_value: IAO:0000118 "is quality of" xsd:string property_value: IAO:0000118 "quality_of" xsd:string is_a: characteristic_of ! inheres in inverse_of: has_quality ! has quality [Typedef] id: reciprocal_of name: reciprocal_of namespace: quality def: "q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e." [PATOC:CJM] comment: There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. [Typedef] id: regulated_by name: regulated by namespace: external def: "inverse of regulates" [] subset: RO:0002259 xref: RO:0002334 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000589 "regulated by (processual)" xsd:string domain: BFO:0000015 ! process range: BFO:0000015 ! process is_transitive: true is_a: causally_downstream_of_or_within ! causally downstream of or within [Typedef] id: regulates name: regulates name: regulates (processual) namespace: external def: "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q." [] def: "process(P1) regulates process(P2) iff: P1 results in the initiation or termination of P2 OR affects the frequency of its initiation or termination OR affects the magnitude or rate of output of P2." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002211 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "We use 'regulates' here to specifically imply control. However, many colloquial usages of the term correctly correspond to the weaker relation of 'causally upstream of or within' (aka influences). Consider relabeling to make things more explicit" xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000117 "David Hill" xsd:string property_value: IAO:0000117 "Tanya Berardini" xsd:string property_value: IAO:0000119 "GO" xsd:string property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations property_value: IAO:0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." xsd:string property_value: IAO:0000589 "regulates (processual)" xsd:string property_value: IAO:0000600 "false" xsd:boolean domain: BFO:0000015 ! process range: BFO:0000015 ! process holds_over_chain: directly_regulates directly_regulates holds_over_chain: ends_with regulates is_transitive: true is_a: causally_upstream_of ! causally upstream of inverse_of: regulated_by ! regulated by transitive_over: has_effector_activity ! has effector activity [Typedef] id: regulates_activity_of name: regulates activity of def: "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." [] xref: RO:0011002 property_value: IAO:0000117 "Vasundra Touré" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: causally_influences ! causally influences [Typedef] id: regulates_characteristic name: regulates characteristic namespace: gene_ontology def: "A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C." [] xref: RO:0019000 property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 domain: BFO:0000015 ! process range: PATO:0000001 ! quality holds_over_chain: regulates regulates_characteristic is_a: causally_related_to ! causally related to [Typedef] id: results_in_assembly_of name: results in assembly of namespace: external subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002588 is_a: results_in_formation_of ! results in formation of is_a: results_in_organization_of ! results in organization of [Typedef] id: results_in_breakdown_of name: results in breakdown of def: "p results in breakdown of c if and only if the execution of p leads to c no longer being present at the end of p" [] xref: RO:0002586 is_a: has_input ! has input [Typedef] id: results_in_changes_to_anatomical_or_cellular_structure name: results in changes to anatomical or cellular structure namespace: external def: "p has anatomical participant c iff p has participant c, and c is an anatomical entity" [] xref: RO:0040036 is_a: has_participant ! has participant created_by: cjm creation_date: 2018-09-26T01:08:58Z [Typedef] id: results_in_developmental_progression_of name: results in developmental progression of namespace: external def: "p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss)." [] def: "p results in the developmental progression of s iff p is a developmental process and s is an anatomical structure and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss)." [] xref: RO:0002295 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000116 "This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint." xsd:string property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: seeAlso Ontology:extensions domain: GO:0008150 ! biological_process range: CARO:0000000 ! anatomical entity range: CARO:0000003 ! anatomical structure is_a: developmentally_related_to ! developmentally related to [Typedef] id: results_in_disassembly_of name: results in disassembly of namespace: external xref: RO:0002590 is_a: results_in_breakdown_of ! results in breakdown of is_a: results_in_organization_of ! results in organization of [Typedef] id: results_in_formation_of name: results in formation of namespace: external subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam xref: RO:0002297 property_value: IAO:0000112 "an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists." xsd:string property_value: IAO:0000112 "every \"endocardial cushion formation\" (GO:0003272) results_in_formation_of some \"endocardial cushion\" (UBERON:0002062)" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 GOC:mtg_berkeley_2013 xsd:string is_a: has_output ! has output is_a: results_in_developmental_progression_of ! results in developmental progression of inverse_of: formed_as_result_of ! formed as result of [Typedef] id: results_in_organization_of name: results in organization of namespace: external def: "p results in organization of c iff p results in the assembly, arrangement of constituent parts, or disassembly of c" [] xref: RO:0002592 is_a: has_participant ! has participant is_a: results_in_changes_to_anatomical_or_cellular_structure ! results in changes to anatomical or cellular structure [Typedef] id: role_of name: role of def: "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. xref: RO:0000081 property_value: IAO:0000112 "this investigator role is a role of this person" xsd:string property_value: IAO:0000116 "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists." xsd:string property_value: IAO:0000118 "is role of" xsd:string property_value: IAO:0000118 "role_of" xsd:string is_a: characteristic_of ! inheres in inverse_of: has_role ! has role [Typedef] id: starts name: starts namespace: uberon def: "inverse of starts with" [] subset: ro-eco xref: RO:0002223 property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 "Allen" xsd:string is_a: part_of ! part_of is_a: temporally_related_to ! temporally related to inverse_of: starts_with ! starts with [Typedef] id: starts_with name: starts with namespace: external namespace: uberon def: "x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] subset: ro-eco xref: RO:0002224 property_value: IAO:0000112 "Every insulin receptor signaling pathway starts with the binding of a ligand to the insulin receptor" xsd:string property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000118 "started by" xsd:string is_transitive: true is_a: has_part ! has_part is_a: temporally_related_to ! temporally related to [Typedef] id: temporally_related_to name: temporally related to comment: A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. subset: ro-eco xref: RO:0002222 property_value: http://purl.org/dc/terms/source https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 xsd:anyURI property_value: IAO:0000114 IAO:0000125 property_value: IAO:0000117 "Chris Mungall" xsd:string property_value: IAO:0000119 https://en.wikipedia.org/wiki/Allen%27s_interval_algebra property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent